smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C[NH2+]Cc2ccccc2OC(F)(F)F)cccc1[N+](=O)[O-] ZINC000237605562 1032063423 /nfs/dbraw/zinc/06/34/23/1032063423.db2.gz BZIXSVUBGPQWTC-UHFFFAOYSA-N 1 0 340.301 4.092 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]CCCOCCc2ccccc2)cc1[N+](=O)[O-] ZINC000532194682 1032079448 /nfs/dbraw/zinc/07/94/48/1032079448.db2.gz SAFRYJUPEXGCNB-QGZVFWFLSA-N 1 0 342.439 4.203 20 5 EIBDRO COc1cc(C[NH2+][C@@H](C)c2cc3cccc(F)c3o2)ccc1[N+](=O)[O-] ZINC000475694135 1032163536 /nfs/dbraw/zinc/16/35/36/1032163536.db2.gz GDCHBUGCLYPOBD-NSHDSACASA-N 1 0 344.342 4.340 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCC(F)(F)F ZINC000504905362 1032535866 /nfs/dbraw/zinc/53/58/66/1032535866.db2.gz HMOBWUGVKSSRQW-LLVKDONJSA-N 1 0 336.379 4.398 20 5 EIBDRO COc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)C2)cc1F ZINC000500534366 1032597762 /nfs/dbraw/zinc/59/77/62/1032597762.db2.gz WCDWUEHCAMJEMT-WKILWMFISA-N 1 0 344.386 4.087 20 5 EIBDRO COc1ccc(C[NH+]2CCC(c3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000186910976 1019005005 /nfs/dbraw/zinc/00/50/05/1019005005.db2.gz FGKBUVJBULULKQ-UHFFFAOYSA-N 1 0 332.425 4.045 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2ccccc2)CCCC1 ZINC000430203862 1019291803 /nfs/dbraw/zinc/29/18/03/1019291803.db2.gz JQFCIIXQXPWZIN-UHFFFAOYSA-N 1 0 326.396 4.163 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000430209885 1019363392 /nfs/dbraw/zinc/36/33/92/1019363392.db2.gz SOEBBRCSBJQPGD-LJQANCHMSA-N 1 0 328.412 4.399 20 5 EIBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(OC(F)(F)F)c1 ZINC000175754510 1019500758 /nfs/dbraw/zinc/50/07/58/1019500758.db2.gz CRKIRONISDLXMF-NSHDSACASA-N 1 0 340.301 4.344 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CCOCC1 ZINC000134496176 1019829360 /nfs/dbraw/zinc/82/93/60/1019829360.db2.gz VUHXCBJDKHHPQH-ZDUSSCGKSA-N 1 0 346.452 4.228 20 5 EIBDRO CSc1ccc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1F ZINC000547738859 1019931734 /nfs/dbraw/zinc/93/17/34/1019931734.db2.gz ULUJQCPMWRNMJE-GFCCVEGCSA-N 1 0 334.416 4.349 20 5 EIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000609541335 1019966810 /nfs/dbraw/zinc/96/68/10/1019966810.db2.gz IMTMFTVSEQEBNS-OAHLLOKOSA-N 1 0 346.814 4.117 20 5 EIBDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000467990026 1020014582 /nfs/dbraw/zinc/01/45/82/1020014582.db2.gz IMVNISWCYDSJBZ-LBPRGKRZSA-N 1 0 333.457 4.376 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000247023373 1020359103 /nfs/dbraw/zinc/35/91/03/1020359103.db2.gz NDHRDXPZZLIWPY-BEVDRBHNSA-N 1 0 340.423 4.474 20 5 EIBDRO C[C@@H]1CCCCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000547931360 1020895244 /nfs/dbraw/zinc/89/52/44/1020895244.db2.gz QJFNDNXWBZQUNE-CYBMUJFWSA-N 1 0 331.441 4.483 20 5 EIBDRO COc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000179961616 1021180522 /nfs/dbraw/zinc/18/05/22/1021180522.db2.gz PANHEOJUOBAQNR-OAQYLSRUSA-N 1 0 348.402 4.483 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000610368734 1021543215 /nfs/dbraw/zinc/54/32/15/1021543215.db2.gz HTFCLJOEZCKRAB-DNVCBOLYSA-N 1 0 326.396 4.119 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000610370724 1021549813 /nfs/dbraw/zinc/54/98/13/1021549813.db2.gz PHKYRJGAAKXWGI-MRXNPFEDSA-N 1 0 328.437 4.209 20 5 EIBDRO CSc1cc(C)ccc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580094662 1021720061 /nfs/dbraw/zinc/72/00/61/1021720061.db2.gz RKTRLUHXIWHEMM-MRXNPFEDSA-N 1 0 328.437 4.402 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000581985484 1021893778 /nfs/dbraw/zinc/89/37/78/1021893778.db2.gz ZZBAAVPFEWAUIP-NSHDSACASA-N 1 0 339.317 4.168 20 5 EIBDRO COc1cc(C[NH2+][C@H](CC2CC2)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000613383458 1021930357 /nfs/dbraw/zinc/93/03/57/1021930357.db2.gz YIDJJERGWNGVLF-QGZVFWFLSA-N 1 0 344.386 4.374 20 5 EIBDRO Cc1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)nc1C ZINC000414161661 1021999699 /nfs/dbraw/zinc/99/96/99/1021999699.db2.gz FYZUBFRQTZRKBS-GOSISDBHSA-N 1 0 325.412 4.119 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CCC(C(F)F)CC1)C1CC1 ZINC000414170251 1022020210 /nfs/dbraw/zinc/02/02/10/1022020210.db2.gz BUMUDJWHRXOEBS-AVVWSFFYSA-N 1 0 338.398 4.329 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000177791260 1022208958 /nfs/dbraw/zinc/20/89/58/1022208958.db2.gz RXHIZTSHMUYHQM-STQMWFEESA-N 1 0 328.368 4.044 20 5 EIBDRO CCOC(C)(C)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000188692873 1022550911 /nfs/dbraw/zinc/55/09/11/1022550911.db2.gz LGUOFTBHECTQLP-SFHVURJKSA-N 1 0 328.412 4.089 20 5 EIBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CC[C@H](O)CC1 ZINC000275990925 1022568481 /nfs/dbraw/zinc/56/84/81/1022568481.db2.gz MSFWOSWBVKVDSK-HDJSIYSDSA-N 1 0 346.452 4.059 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@H+](CCc2ccc(F)c(F)c2)C2CC2)c1 ZINC001167734657 1022650212 /nfs/dbraw/zinc/65/02/12/1022650212.db2.gz PNAOENAPCIVGIK-UHFFFAOYSA-N 1 0 332.350 4.080 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000104700600 1022720959 /nfs/dbraw/zinc/72/09/59/1022720959.db2.gz FWZUAULNESHBPH-LJQANCHMSA-N 1 0 326.396 4.234 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000178217716 1022784595 /nfs/dbraw/zinc/78/45/95/1022784595.db2.gz YEICGPGRQRTDDR-KGLIPLIRSA-N 1 0 326.396 4.250 20 5 EIBDRO COc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000378405697 1022807516 /nfs/dbraw/zinc/80/75/16/1022807516.db2.gz SEXIBGOBOBHKPV-XJKSGUPXSA-N 1 0 342.395 4.086 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C2CCSCC2)c2ccccc2)c1 ZINC000180845605 1022838984 /nfs/dbraw/zinc/83/89/84/1022838984.db2.gz VNTINDLQRRUVBU-SFHVURJKSA-N 1 0 328.437 4.169 20 5 EIBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000481172582 1022952493 /nfs/dbraw/zinc/95/24/93/1022952493.db2.gz ITNDVJWUGHXNTI-DYVFJYSZSA-N 1 0 329.400 4.308 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(CSC)c1 ZINC000189478487 1023057669 /nfs/dbraw/zinc/05/76/69/1023057669.db2.gz LYSLKSRRKOMYGN-UHFFFAOYSA-N 1 0 346.452 4.146 20 5 EIBDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000610271439 1023097928 /nfs/dbraw/zinc/09/79/28/1023097928.db2.gz HYMVTDVDGJLBOV-CYBMUJFWSA-N 1 0 332.400 4.148 20 5 EIBDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000414552039 1023253831 /nfs/dbraw/zinc/25/38/31/1023253831.db2.gz GIGCACYOLWPJDY-FYXZTFBWSA-N 1 0 338.407 4.010 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC(C(F)(F)F)C1)CCCC2 ZINC000417348695 1023273979 /nfs/dbraw/zinc/27/39/79/1023273979.db2.gz JLBJIIJQKJXLEH-KOHJWAIASA-N 1 0 328.334 4.293 20 5 EIBDRO COc1cccc(C2(F)CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000500140516 1023538049 /nfs/dbraw/zinc/53/80/49/1023538049.db2.gz PTJUJMKKJWHMCW-UHFFFAOYSA-N 1 0 344.386 4.064 20 5 EIBDRO C[C@H](CCc1ccco1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000583669848 1023588830 /nfs/dbraw/zinc/58/88/30/1023588830.db2.gz ZWPNYWJZWUWCDN-LLVKDONJSA-N 1 0 342.317 4.318 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000178121247 1023655692 /nfs/dbraw/zinc/65/56/92/1023655692.db2.gz NDHRDXPZZLIWPY-RYGJVYDSSA-N 1 0 340.423 4.474 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000090918697 1023672060 /nfs/dbraw/zinc/67/20/60/1023672060.db2.gz KHLNFYDPUBNLMK-DLBZAZTESA-N 1 0 330.359 4.298 20 5 EIBDRO COc1ccc(C[NH2+][C@]2(c3ccc(Cl)cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000500428908 1023825494 /nfs/dbraw/zinc/82/54/94/1023825494.db2.gz RRVXHVANSZVIDN-KZULUSFZSA-N 1 0 346.814 4.282 20 5 EIBDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072776097 1023845328 /nfs/dbraw/zinc/84/53/28/1023845328.db2.gz JZISCOJRGMEVCL-BBRMVZONSA-N 1 0 344.415 4.045 20 5 EIBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000610573518 1023947127 /nfs/dbraw/zinc/94/71/27/1023947127.db2.gz NVHGEZBRZXKCPC-UKRRQHHQSA-N 1 0 331.441 4.121 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000128490476 1024080536 /nfs/dbraw/zinc/08/05/36/1024080536.db2.gz MXAMGTNFAPZVKK-UONOGXRCSA-N 1 0 344.411 4.332 20 5 EIBDRO O=[N+]([O-])c1cc2c(cc1NC1c3ccccc3-c3ccccc31)C[NH2+]C2 ZINC001167775837 1024251150 /nfs/dbraw/zinc/25/11/50/1024251150.db2.gz CASBOKHFTGBVMV-UHFFFAOYSA-N 1 0 343.386 4.380 20 5 EIBDRO CC(C)[NH+](CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000549558243 1024330931 /nfs/dbraw/zinc/33/09/31/1024330931.db2.gz JMTFBRYQZMFHDA-UHFFFAOYSA-N 1 0 345.443 4.063 20 5 EIBDRO Cc1c(C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000430995267 1024377560 /nfs/dbraw/zinc/37/75/60/1024377560.db2.gz CYICQFXLYRJHTD-HNNXBMFYSA-N 1 0 344.436 4.202 20 5 EIBDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000510959885 1024866192 /nfs/dbraw/zinc/86/61/92/1024866192.db2.gz QHYXJDDKKBGQRY-PXAZEXFGSA-N 1 0 344.386 4.389 20 5 EIBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000248542532 1024872477 /nfs/dbraw/zinc/87/24/77/1024872477.db2.gz BZGWDRSRIYSDFF-BDQBCWGISA-N 1 0 343.427 4.207 20 5 EIBDRO CC1CCC(OC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000341994013 1025027385 /nfs/dbraw/zinc/02/73/85/1025027385.db2.gz DXPVMTDFYZHOCB-UHFFFAOYSA-N 1 0 346.471 4.197 20 5 EIBDRO C[C@H]1CC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H](C)O1 ZINC000128535254 1025029238 /nfs/dbraw/zinc/02/92/38/1025029238.db2.gz OJDPZSYWVSOKJW-STQMWFEESA-N 1 0 346.452 4.369 20 5 EIBDRO COc1ccc(C[N@H+](Cc2ccc(C)s2)C(C)C)cc1[N+](=O)[O-] ZINC000065162670 1025055064 /nfs/dbraw/zinc/05/50/64/1025055064.db2.gz MEVFSTMIVDGTEN-UHFFFAOYSA-N 1 0 334.441 4.384 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000610860087 1025072394 /nfs/dbraw/zinc/07/23/94/1025072394.db2.gz GWSHGRXVFNVCJG-QLBOMPFWSA-N 1 0 330.428 4.080 20 5 EIBDRO CC[C@@H]([NH2+]C1(c2ccc(OC)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000538523482 1025450162 /nfs/dbraw/zinc/45/01/62/1025450162.db2.gz AWRHKVMIAXLMSW-GOSISDBHSA-N 1 0 326.396 4.333 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000119568862 1025500136 /nfs/dbraw/zinc/50/01/36/1025500136.db2.gz JFLRFLIETNHHEY-MELADBBJSA-N 1 0 346.452 4.399 20 5 EIBDRO C[C@@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1ccc([N+](=O)[O-])cc1 ZINC000482127235 1025563227 /nfs/dbraw/zinc/56/32/27/1025563227.db2.gz ZZHMWSHYURDSTM-GFCCVEGCSA-N 1 0 327.359 4.109 20 5 EIBDRO C[N@@H+]1CC[C@@H](Nc2ccnc3c2cccc3[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000432334823 1025646393 /nfs/dbraw/zinc/64/63/93/1025646393.db2.gz KMEAXGYKCRHSSF-YLJYHZDGSA-N 1 0 348.406 4.000 20 5 EIBDRO CCCCCn1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c(C)n1 ZINC000539040988 1025752464 /nfs/dbraw/zinc/75/24/64/1025752464.db2.gz JDZWNSGHIYIZBQ-MRXNPFEDSA-N 1 0 344.459 4.449 20 5 EIBDRO COc1cc(C[N@H+](C)C(C)(C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000585754710 1025823878 /nfs/dbraw/zinc/82/38/78/1025823878.db2.gz WBJDQIQKRMQOLA-UHFFFAOYSA-N 1 0 332.375 4.110 20 5 EIBDRO C[C@H](O)c1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000279029914 1025974230 /nfs/dbraw/zinc/97/42/30/1025974230.db2.gz IIEMTKDELXBFRX-DJJJIMSYSA-N 1 0 340.423 4.160 20 5 EIBDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279094646 1026068445 /nfs/dbraw/zinc/06/84/45/1026068445.db2.gz NSUSTEHQQLRWHB-APPDUMDISA-N 1 0 343.427 4.315 20 5 EIBDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000157895563 1026092977 /nfs/dbraw/zinc/09/29/77/1026092977.db2.gz MWOXVJLFRMEQPA-OLZOCXBDSA-N 1 0 330.432 4.267 20 5 EIBDRO C[C@@H]([NH2+]CCC1(O)CCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000551813210 1026269552 /nfs/dbraw/zinc/26/95/52/1026269552.db2.gz DKBUOHVUPURMAW-CYBMUJFWSA-N 1 0 346.452 4.279 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000120080748 1026464904 /nfs/dbraw/zinc/46/49/04/1026464904.db2.gz PTCSWUPFWJJZBE-MRXNPFEDSA-N 1 0 329.356 4.134 20 5 EIBDRO CC(C)C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000178565130 1026547340 /nfs/dbraw/zinc/54/73/40/1026547340.db2.gz ALGOEIVYRJMJFK-RTBURBONSA-N 1 0 328.412 4.005 20 5 EIBDRO CC(C)[C@H]1CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000507190408 1026695657 /nfs/dbraw/zinc/69/56/57/1026695657.db2.gz ZFUWZQOFGVBCTF-MRXNPFEDSA-N 1 0 331.441 4.339 20 5 EIBDRO C[N@H+](CCc1cccc2ccccc21)Cc1csc([N+](=O)[O-])c1 ZINC000507281782 1026731585 /nfs/dbraw/zinc/73/15/85/1026731585.db2.gz URHVEBAVAXIBOU-UHFFFAOYSA-N 1 0 326.421 4.484 20 5 EIBDRO C[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000479461284 1026817539 /nfs/dbraw/zinc/81/75/39/1026817539.db2.gz AETLWOZIXDBYJX-MRXNPFEDSA-N 1 0 339.439 4.162 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1cnn(CC2CCC2)c1 ZINC000934561625 1026876757 /nfs/dbraw/zinc/87/67/57/1026876757.db2.gz GDXADMSFMQWFSP-HUUCEWRRSA-N 1 0 342.443 4.312 20 5 EIBDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000441323756 1027447228 /nfs/dbraw/zinc/44/72/28/1027447228.db2.gz OGEQIEOMXCWLMF-AUUYWEPGSA-N 1 0 328.387 4.360 20 5 EIBDRO Cc1c(CN2CCSC[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000522468696 1027453761 /nfs/dbraw/zinc/45/37/61/1027453761.db2.gz RUMGSCMHWOPXAM-SFHVURJKSA-N 1 0 328.437 4.193 20 5 EIBDRO Cc1ccc(CNc2ccc(C[NH+](C)C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000475568288 1027650694 /nfs/dbraw/zinc/65/06/94/1027650694.db2.gz UNASWCWWLFVEGJ-UHFFFAOYSA-N 1 0 333.819 4.230 20 5 EIBDRO CC[C@H](Cc1ccccc1)[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1OC ZINC001168074685 1027738715 /nfs/dbraw/zinc/73/87/15/1027738715.db2.gz VXYMTDPCLDYQPN-GOSISDBHSA-N 1 0 342.439 4.447 20 5 EIBDRO CCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc(Cl)cc1 ZINC000444602923 1027884947 /nfs/dbraw/zinc/88/49/47/1027884947.db2.gz NVKNFJOTERSVFH-UHFFFAOYSA-N 1 0 344.802 4.147 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCC4(CCCCC4)C3)nc2c1 ZINC000444637867 1027895106 /nfs/dbraw/zinc/89/51/06/1027895106.db2.gz HHCBOVJGJWBDMP-UHFFFAOYSA-N 1 0 328.416 4.017 20 5 EIBDRO CC(C)(C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000583096173 1027983327 /nfs/dbraw/zinc/98/33/27/1027983327.db2.gz YJJLOWSQJZGPKJ-JSGCOSHPSA-N 1 0 344.377 4.484 20 5 EIBDRO CC1CCC([N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]2CCCO2)CC1 ZINC000441442256 1027984372 /nfs/dbraw/zinc/98/43/72/1027984372.db2.gz SSMMZIJIFOIOLV-BCLQGDPASA-N 1 0 338.473 4.216 20 5 EIBDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000166733468 1027994113 /nfs/dbraw/zinc/99/41/13/1027994113.db2.gz JPSYQBDHJGMVTR-KGLIPLIRSA-N 1 0 348.468 4.383 20 5 EIBDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2SC)ccc1[N+](=O)[O-] ZINC000440607439 1028199741 /nfs/dbraw/zinc/19/97/41/1028199741.db2.gz AYOHCOXRRVSLSX-LBPRGKRZSA-N 1 0 332.425 4.176 20 5 EIBDRO COc1ccccc1[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000524252171 1028815824 /nfs/dbraw/zinc/81/58/24/1028815824.db2.gz DHIYEDBSZKHACB-ZDUSSCGKSA-N 1 0 346.814 4.246 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1OCC1CC1 ZINC000572985160 1028966174 /nfs/dbraw/zinc/96/61/74/1028966174.db2.gz YLYCSWOVMNHCCE-SFHVURJKSA-N 1 0 338.407 4.161 20 5 EIBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000445996898 1029063472 /nfs/dbraw/zinc/06/34/72/1029063472.db2.gz SULVLRLHKSXNKT-DLBZAZTESA-N 1 0 326.396 4.029 20 5 EIBDRO Cc1c(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000523007647 1029347326 /nfs/dbraw/zinc/34/73/26/1029347326.db2.gz UHQJINUEWJYQKC-INIZCTEOSA-N 1 0 328.387 4.107 20 5 EIBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C12CCCCC2 ZINC000525126730 1029466405 /nfs/dbraw/zinc/46/64/05/1029466405.db2.gz LHFNUHIWYVMVNG-LSDHHAIUSA-N 1 0 338.473 4.216 20 5 EIBDRO C[C@@H]([NH2+]CC[C@H](C)OCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000475311729 1029520810 /nfs/dbraw/zinc/52/08/10/1029520810.db2.gz VXBVCXUJAJCOHZ-JKSUJKDBSA-N 1 0 328.412 4.241 20 5 EIBDRO COCCCC[N@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1C ZINC000052798287 1029615223 /nfs/dbraw/zinc/61/52/23/1029615223.db2.gz SGVSRLULIPWIDS-UHFFFAOYSA-N 1 0 342.439 4.332 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000152252988 1029654899 /nfs/dbraw/zinc/65/48/99/1029654899.db2.gz FULLSGKFFCSEOP-GOSISDBHSA-N 1 0 336.395 4.021 20 5 EIBDRO CC(C)n1cc([C@H](C)[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000573160204 1029695575 /nfs/dbraw/zinc/69/55/75/1029695575.db2.gz IJNGUCTZWGYSPC-SCLBCKFNSA-N 1 0 342.443 4.445 20 5 EIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCCC[C@H]1O ZINC000428471915 1029706544 /nfs/dbraw/zinc/70/65/44/1029706544.db2.gz DDWIRUUYAFQLCN-IAGOWNOFSA-N 1 0 346.452 4.059 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)cs1 ZINC000573170285 1029706747 /nfs/dbraw/zinc/70/67/47/1029706747.db2.gz QYJHTCZMZAXLMQ-CYBMUJFWSA-N 1 0 344.358 4.167 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000584402493 1029822537 /nfs/dbraw/zinc/82/25/37/1029822537.db2.gz WVWPKEILIGOAFO-WPPJOMGTSA-N 1 0 342.361 4.237 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccccc1OC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000450689295 1029900796 /nfs/dbraw/zinc/90/07/96/1029900796.db2.gz XOPLBUXPERCSER-SFHVURJKSA-N 1 0 326.396 4.377 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1cccc3cccnc31)CCC2 ZINC000447526206 1030121496 /nfs/dbraw/zinc/12/14/96/1030121496.db2.gz BWHMUJBDYMRTJV-HXUWFJFHSA-N 1 0 347.418 4.353 20 5 EIBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000480489922 1030137519 /nfs/dbraw/zinc/13/75/19/1030137519.db2.gz LWOHNDDUCGTCPE-AWEZNQCLSA-N 1 0 342.443 4.065 20 5 EIBDRO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447535494 1030139015 /nfs/dbraw/zinc/13/90/15/1030139015.db2.gz GOJPXYPDEIOURH-XOBRGWDASA-N 1 0 340.423 4.289 20 5 EIBDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000447534432 1030139335 /nfs/dbraw/zinc/13/93/35/1030139335.db2.gz XGKGOQFTPZFWNK-ORAYPTAESA-N 1 0 326.396 4.332 20 5 EIBDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000447534431 1030139725 /nfs/dbraw/zinc/13/97/25/1030139725.db2.gz XGKGOQFTPZFWNK-DJJJIMSYSA-N 1 0 326.396 4.332 20 5 EIBDRO CCO[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000447566601 1030178364 /nfs/dbraw/zinc/17/83/64/1030178364.db2.gz UZTMITJOLUCWSP-DNVCBOLYSA-N 1 0 328.412 4.332 20 5 EIBDRO COc1ccc(C2([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000447583276 1030185188 /nfs/dbraw/zinc/18/51/88/1030185188.db2.gz BDDDWVVGGAIQJT-IBGZPJMESA-N 1 0 338.407 4.260 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@H]3CCC34CCCC4)o2)c1 ZINC000451465127 1030516129 /nfs/dbraw/zinc/51/61/29/1030516129.db2.gz ZUPCGPCZZLWNFX-KRWDZBQOSA-N 1 0 341.411 4.105 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc2c(c1)CCO2 ZINC000897417823 1030589950 /nfs/dbraw/zinc/58/99/50/1030589950.db2.gz AJVZURWJEQOIAE-LLVKDONJSA-N 1 0 332.787 4.034 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2CCC2CCCC2)cc1 ZINC001168175579 1030683002 /nfs/dbraw/zinc/68/30/02/1030683002.db2.gz OKNQIRVEPUWKCA-IEBWSBKVSA-N 1 0 332.444 4.063 20 5 EIBDRO CO[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000611984160 1030709145 /nfs/dbraw/zinc/70/91/45/1030709145.db2.gz MPXJXCXSCBTPGB-MRXNPFEDSA-N 1 0 346.452 4.324 20 5 EIBDRO Cc1cccc2[nH]cc(CC[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])c21 ZINC000237741638 1030862971 /nfs/dbraw/zinc/86/29/71/1030862971.db2.gz DVNKISAMCVCUMI-VMPITWQZSA-N 1 0 335.407 4.230 20 5 EIBDRO CCCn1nc(C)c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000179320174 1030898723 /nfs/dbraw/zinc/89/87/23/1030898723.db2.gz FXWPWBUERBCHCF-UHFFFAOYSA-N 1 0 344.459 4.229 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000248944608 1031028853 /nfs/dbraw/zinc/02/88/53/1031028853.db2.gz ZBWQQLRIFCHHHK-XAUMDUMWSA-N 1 0 340.423 4.474 20 5 EIBDRO CC(C)COc1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000532479670 1031208484 /nfs/dbraw/zinc/20/84/84/1031208484.db2.gz KPYBUDOYQZOBKU-HNNXBMFYSA-N 1 0 328.412 4.480 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc(C3CCCCC3)s2)cc1 ZINC000531451198 1031243653 /nfs/dbraw/zinc/24/36/53/1031243653.db2.gz KXURWPCFNQOGNS-UHFFFAOYSA-N 1 0 345.468 4.431 20 5 EIBDRO C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000532550675 1031266519 /nfs/dbraw/zinc/26/65/19/1031266519.db2.gz XZWMGAANQAJBOR-SCLBCKFNSA-N 1 0 347.846 4.202 20 5 EIBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(C)cc1 ZINC000179695895 1031279565 /nfs/dbraw/zinc/27/95/65/1031279565.db2.gz QBJIRWSRMBJPAF-SFHVURJKSA-N 1 0 342.395 4.011 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1cc2cnccc2o1 ZINC000897461825 1031390808 /nfs/dbraw/zinc/39/08/08/1031390808.db2.gz YUDRYQKZRNZYGE-CHWSQXEVSA-N 1 0 325.368 4.190 20 5 EIBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000897466099 1031401957 /nfs/dbraw/zinc/40/19/57/1031401957.db2.gz NWDOWUSFTISALU-UONOGXRCSA-N 1 0 341.411 4.008 20 5 EIBDRO C[C@@H]([NH2+]CC1(CO)CCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000612422636 1031504743 /nfs/dbraw/zinc/50/47/43/1031504743.db2.gz NTDLAIXHOWSSQY-CYBMUJFWSA-N 1 0 346.452 4.137 20 5 EIBDRO CCOc1cc(C)ccc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531735908 1031515178 /nfs/dbraw/zinc/51/51/78/1031515178.db2.gz HHTZNZXIOZKGOB-OAHLLOKOSA-N 1 0 328.412 4.461 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000449183545 1031519407 /nfs/dbraw/zinc/51/94/07/1031519407.db2.gz KYPRKPSKULSQHW-VNHYZAJKSA-N 1 0 344.377 4.484 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000548934992 1031586481 /nfs/dbraw/zinc/58/64/81/1031586481.db2.gz ZPSUDXIOKQUZDQ-CQSZACIVSA-N 1 0 328.334 4.149 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CCCc2cccnc2)cc1[N+](=O)[O-] ZINC000453147040 1031623507 /nfs/dbraw/zinc/62/35/07/1031623507.db2.gz IQXGVEGUUGGWKR-CVEARBPZSA-N 1 0 327.428 4.360 20 5 EIBDRO CC(F)(F)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449353950 1031677392 /nfs/dbraw/zinc/67/73/92/1031677392.db2.gz IPVNITMSDRJTJZ-UHFFFAOYSA-N 1 0 326.368 4.458 20 5 EIBDRO COC[C@@]1(C)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000449398811 1031701405 /nfs/dbraw/zinc/70/14/05/1031701405.db2.gz YZFXNSSNGJRUPB-SFHVURJKSA-N 1 0 346.452 4.182 20 5 EIBDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000453244454 1031766084 /nfs/dbraw/zinc/76/60/84/1031766084.db2.gz DVUPHFUELFAPMU-DJJJIMSYSA-N 1 0 326.396 4.332 20 5 EIBDRO CO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H]1C ZINC000449493557 1031787840 /nfs/dbraw/zinc/78/78/40/1031787840.db2.gz FCEZFZBTXWDNNO-DYVFJYSZSA-N 1 0 346.452 4.180 20 5 EIBDRO C[C@@H](CCO)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453263812 1031788494 /nfs/dbraw/zinc/78/84/94/1031788494.db2.gz YZKSJOOPPLQJMM-KGLIPLIRSA-N 1 0 348.468 4.383 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1cnc(OC)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000453283329 1031805331 /nfs/dbraw/zinc/80/53/31/1031805331.db2.gz DZUQYHGPJPFTNZ-MRXNPFEDSA-N 1 0 349.818 4.283 20 5 EIBDRO CCO[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000449501735 1031809310 /nfs/dbraw/zinc/80/93/10/1031809310.db2.gz WBKZSDDTANMABX-KDOFPFPSSA-N 1 0 344.411 4.102 20 5 EIBDRO CO[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@H]1C ZINC000449505627 1031814165 /nfs/dbraw/zinc/81/41/65/1031814165.db2.gz RIDOPOUFCBCPDI-GUYCJALGSA-N 1 0 346.452 4.180 20 5 EIBDRO CC(C)([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCC1 ZINC000449521177 1031821459 /nfs/dbraw/zinc/82/14/59/1031821459.db2.gz RBCMVCGPVXGPTH-UHFFFAOYSA-N 1 0 331.441 4.387 20 5 EIBDRO CC1(C)C[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000453409083 1031943751 /nfs/dbraw/zinc/94/37/51/1031943751.db2.gz HDWDAPATDRSYTD-NUJGCVRESA-N 1 0 346.471 4.101 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)cc1[N+](=O)[O-] ZINC000573640638 1033416636 /nfs/dbraw/zinc/41/66/36/1033416636.db2.gz GBRSWFXGKRLQCN-BFUOFWGJSA-N 1 0 326.396 4.330 20 5 EIBDRO CCc1ccc([C@@H]([NH2+]CC2(SC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000433094057 1033839294 /nfs/dbraw/zinc/83/92/94/1033839294.db2.gz SZNGPEGUIYHZMP-KRWDZBQOSA-N 1 0 346.452 4.325 20 5 EIBDRO CC(C)C[NH+]1CCC(N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433150076 1033947399 /nfs/dbraw/zinc/94/73/99/1033947399.db2.gz VLVHDSAUGNAOKM-LJQANCHMSA-N 1 0 345.487 4.027 20 5 EIBDRO COc1cc(F)cc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433220228 1034066907 /nfs/dbraw/zinc/06/69/07/1034066907.db2.gz ORWSZIDQINNFAG-GOSISDBHSA-N 1 0 344.386 4.255 20 5 EIBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000433282627 1034149508 /nfs/dbraw/zinc/14/95/08/1034149508.db2.gz MZGUIYWEKVUMMW-BVGQSLNGSA-N 1 0 332.444 4.110 20 5 EIBDRO CCc1cnc(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000433294627 1034184729 /nfs/dbraw/zinc/18/47/29/1034184729.db2.gz MYOUOXCMOYOVHO-INIZCTEOSA-N 1 0 345.468 4.168 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000171410526 1034197552 /nfs/dbraw/zinc/19/75/52/1034197552.db2.gz JIYCEESDFLUFNN-RSUWNVLCSA-N 1 0 344.415 4.120 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000419330549 1034314102 /nfs/dbraw/zinc/31/41/02/1034314102.db2.gz GASXQCUKLHWWTH-CYBMUJFWSA-N 1 0 326.396 4.332 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000419354950 1034437374 /nfs/dbraw/zinc/43/73/74/1034437374.db2.gz MMFINABGDMCREG-ZDUSSCGKSA-N 1 0 326.396 4.332 20 5 EIBDRO CC[NH+](CC)[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])c1ccsc1 ZINC000513170292 1034820836 /nfs/dbraw/zinc/82/08/36/1034820836.db2.gz HAGJPVWIMQEBAG-INIZCTEOSA-N 1 0 337.420 4.290 20 5 EIBDRO CC(C)c1ccc(C[NH2+]CCOc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000513588592 1035045906 /nfs/dbraw/zinc/04/59/06/1035045906.db2.gz NFNIKHDVSQWDCD-UHFFFAOYSA-N 1 0 332.375 4.026 20 5 EIBDRO CC(C)Oc1ccc(CC[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000513643633 1035084561 /nfs/dbraw/zinc/08/45/61/1035084561.db2.gz PUYPZNSBHDNWNM-INIZCTEOSA-N 1 0 342.439 4.493 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC000595014001 1035505519 /nfs/dbraw/zinc/50/55/19/1035505519.db2.gz KWWKWVNIQDJKQS-GTNSWQLSSA-N 1 0 330.359 4.081 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000595008569 1035528192 /nfs/dbraw/zinc/52/81/92/1035528192.db2.gz VODFQMDPJAMAQM-AWEZNQCLSA-N 1 0 344.411 4.241 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccc(OC)cc1 ZINC000595004870 1035528982 /nfs/dbraw/zinc/52/89/82/1035528982.db2.gz VBPBHOMMTLCUME-ACJLOTCBSA-N 1 0 344.411 4.414 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000595067112 1035550076 /nfs/dbraw/zinc/55/00/76/1035550076.db2.gz KTUZOCRDWAAUTF-OLZOCXBDSA-N 1 0 346.452 4.135 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccnc2ccccc12 ZINC000595072150 1035555557 /nfs/dbraw/zinc/55/55/57/1035555557.db2.gz GUEPNDNCFRUDSW-OAHLLOKOSA-N 1 0 335.407 4.345 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000595030949 1035562564 /nfs/dbraw/zinc/56/25/64/1035562564.db2.gz YVPCMYTUSQEJDZ-AWEZNQCLSA-N 1 0 343.427 4.147 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc2[nH]c(C)cc2c1 ZINC000595037936 1035564521 /nfs/dbraw/zinc/56/45/21/1035564521.db2.gz AJCCEGRBPFTNEV-CYBMUJFWSA-N 1 0 339.395 4.244 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC000595039472 1035565781 /nfs/dbraw/zinc/56/57/81/1035565781.db2.gz PIJJSJWGHZWKKA-NSHDSACASA-N 1 0 328.359 4.080 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000595040395 1035565869 /nfs/dbraw/zinc/56/58/69/1035565869.db2.gz VMMHMGQEAHOYTA-NWDGAFQWSA-N 1 0 328.359 4.080 20 5 EIBDRO CCCNc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595050844 1035572203 /nfs/dbraw/zinc/57/22/03/1035572203.db2.gz UMHBOBYCPCTMTA-CQSZACIVSA-N 1 0 343.427 4.276 20 5 EIBDRO CCCNc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595050843 1035572331 /nfs/dbraw/zinc/57/23/31/1035572331.db2.gz UMHBOBYCPCTMTA-AWEZNQCLSA-N 1 0 343.427 4.276 20 5 EIBDRO COc1cccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1C ZINC000595102847 1035587733 /nfs/dbraw/zinc/58/77/33/1035587733.db2.gz GLRJMLPBDQJBBV-SFHVURJKSA-N 1 0 326.396 4.079 20 5 EIBDRO CCC[C@H]([NH2+][C@H](c1ccccc1)[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000595101415 1035588859 /nfs/dbraw/zinc/58/88/59/1035588859.db2.gz FLACTVLNCVIXOM-JVPBZIDWSA-N 1 0 328.412 4.148 20 5 EIBDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595297325 1035626751 /nfs/dbraw/zinc/62/67/51/1035626751.db2.gz RHWFDLMKOCGLGP-CVEARBPZSA-N 1 0 329.400 4.049 20 5 EIBDRO COc1ccc(C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000485080890 1035676452 /nfs/dbraw/zinc/67/64/52/1035676452.db2.gz SMSJRWCSXLTRSN-GFCCVEGCSA-N 1 0 334.803 4.450 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c(Cl)c1 ZINC000595502410 1035689475 /nfs/dbraw/zinc/68/94/75/1035689475.db2.gz UDBISKNNWCCAEN-AWEZNQCLSA-N 1 0 331.803 4.023 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1ccccc1 ZINC000593021262 1035691382 /nfs/dbraw/zinc/69/13/82/1035691382.db2.gz SNSVLHXCANYJDU-QGZVFWFLSA-N 1 0 342.395 4.012 20 5 EIBDRO C[NH+](C)C1CCC(Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000420623204 1035745645 /nfs/dbraw/zinc/74/56/45/1035745645.db2.gz HSHFSQOHQZTJKN-UHFFFAOYSA-N 1 0 335.448 4.057 20 5 EIBDRO CC[NH+](CC)C[C@@H](C)N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491039054 1035781751 /nfs/dbraw/zinc/78/17/51/1035781751.db2.gz QSNLSDGVOJVIMJ-UZLBHIALSA-N 1 0 341.455 4.004 20 5 EIBDRO COc1cc(C[NH2+][C@@H](CC(F)F)c2ccccc2)ccc1[N+](=O)[O-] ZINC000420996775 1035933735 /nfs/dbraw/zinc/93/37/35/1035933735.db2.gz QZAPLSGZSVKVOU-AWEZNQCLSA-N 1 0 336.338 4.090 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](CC(F)F)c2ccccc2)cc1[N+](=O)[O-] ZINC000420996789 1035935647 /nfs/dbraw/zinc/93/56/47/1035935647.db2.gz RBEQZPKEWOTJMB-AWEZNQCLSA-N 1 0 336.338 4.090 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(C2CCCC2)c1 ZINC000502367399 1036142660 /nfs/dbraw/zinc/14/26/60/1036142660.db2.gz REWWGIHUMZEWNZ-UONOGXRCSA-N 1 0 328.416 4.318 20 5 EIBDRO COc1cc(C[N@@H+]2CCC[C@H]2c2ccccc2C)ccc1[N+](=O)[O-] ZINC000485746960 1036238959 /nfs/dbraw/zinc/23/89/59/1036238959.db2.gz USYLFFHSUOJQSB-KRWDZBQOSA-N 1 0 326.396 4.249 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000502597596 1036391753 /nfs/dbraw/zinc/39/17/53/1036391753.db2.gz WBWXYHGTYIMWBG-STQMWFEESA-N 1 0 342.386 4.470 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)s1 ZINC000602516953 1036473105 /nfs/dbraw/zinc/47/31/05/1036473105.db2.gz ULKRQWIJIMXHHO-UHFFFAOYSA-N 1 0 347.259 4.079 20 5 EIBDRO Cc1ccsc1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602524208 1036480340 /nfs/dbraw/zinc/48/03/40/1036480340.db2.gz LDMMROZQXRLILT-UHFFFAOYSA-N 1 0 330.331 4.273 20 5 EIBDRO CCOCC(C)(C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000588934557 1036607973 /nfs/dbraw/zinc/60/79/73/1036607973.db2.gz ZAHNCQNPEKJFIA-UHFFFAOYSA-N 1 0 332.400 4.007 20 5 EIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000603056999 1036715302 /nfs/dbraw/zinc/71/53/02/1036715302.db2.gz YBAOMPHPVZFQBZ-CHWSQXEVSA-N 1 0 346.431 4.320 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000486715784 1036823694 /nfs/dbraw/zinc/82/36/94/1036823694.db2.gz WUFUCPUEDSESCP-LBPRGKRZSA-N 1 0 327.359 4.374 20 5 EIBDRO CCC[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)OCC ZINC000598989614 1036834010 /nfs/dbraw/zinc/83/40/10/1036834010.db2.gz NZLIXTLPDHGIDA-INIZCTEOSA-N 1 0 349.456 4.013 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CC[C@@H]2CCCOC2)c2ccccc2)c1 ZINC000599057410 1036865670 /nfs/dbraw/zinc/86/56/70/1036865670.db2.gz OMOJLSSTUPIUAT-OXJNMPFZSA-N 1 0 340.423 4.091 20 5 EIBDRO Cc1ccc(C(C)(C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)nc1 ZINC000599069245 1036867583 /nfs/dbraw/zinc/86/75/83/1036867583.db2.gz DKZBLYMMSPKDQS-HNNXBMFYSA-N 1 0 327.428 4.235 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC3(CC3(F)F)CC2)o1 ZINC000593674365 1036874241 /nfs/dbraw/zinc/87/42/41/1036874241.db2.gz ZTNGTUHEBXNPFY-UHFFFAOYSA-N 1 0 348.349 4.476 20 5 EIBDRO CCC[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000593716709 1036930512 /nfs/dbraw/zinc/93/05/12/1036930512.db2.gz RMJHZFVPKNEMEJ-MOPGFXCFSA-N 1 0 332.444 4.231 20 5 EIBDRO C[C@@H](F)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000590195151 1037008127 /nfs/dbraw/zinc/00/81/27/1037008127.db2.gz ZSTNIBUPGHBDLN-SNVBAGLBSA-N 1 0 326.755 4.346 20 5 EIBDRO COc1ccc(C[N@H+](C)[C@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000603840686 1037024258 /nfs/dbraw/zinc/02/42/58/1037024258.db2.gz SQTMHPWJINREDY-GFCCVEGCSA-N 1 0 334.803 4.450 20 5 EIBDRO Cc1cc(F)ccc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487169021 1037024808 /nfs/dbraw/zinc/02/48/08/1037024808.db2.gz UJDOUCARDOCHJE-UHFFFAOYSA-N 1 0 342.292 4.351 20 5 EIBDRO Cc1ccc([C@@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000603836949 1037032994 /nfs/dbraw/zinc/03/29/94/1037032994.db2.gz DCAMWXVHDIHRBM-KRWDZBQOSA-N 1 0 326.396 4.119 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cccc2ccccc21 ZINC000603851011 1037044595 /nfs/dbraw/zinc/04/45/95/1037044595.db2.gz ZHRRMZVSDIAWMT-UHFFFAOYSA-N 1 0 336.391 4.389 20 5 EIBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000603859484 1037052391 /nfs/dbraw/zinc/05/23/91/1037052391.db2.gz BOGIKCVYHYRMTN-HNNXBMFYSA-N 1 0 342.443 4.210 20 5 EIBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000603859502 1037053470 /nfs/dbraw/zinc/05/34/70/1037053470.db2.gz FKAVRUHKTYXECD-CYBMUJFWSA-N 1 0 325.840 4.315 20 5 EIBDRO CC(C)c1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000590380239 1037056798 /nfs/dbraw/zinc/05/67/98/1037056798.db2.gz WIDUAJVSIYPODQ-LJQANCHMSA-N 1 0 344.455 4.109 20 5 EIBDRO C[C@@H]1c2ccsc2CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604012530 1037146775 /nfs/dbraw/zinc/14/67/75/1037146775.db2.gz MOFNFTBUFWORTD-CYBMUJFWSA-N 1 0 332.425 4.045 20 5 EIBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000604012539 1037147513 /nfs/dbraw/zinc/14/75/13/1037147513.db2.gz NXQIKXYRIDWOSK-IBGZPJMESA-N 1 0 344.386 4.340 20 5 EIBDRO C[C@@H](c1ccccc1F)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604013583 1037147739 /nfs/dbraw/zinc/14/77/39/1037147739.db2.gz RCVUEZSDRCSKQZ-AWEZNQCLSA-N 1 0 332.375 4.196 20 5 EIBDRO C[C@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000591348039 1037389854 /nfs/dbraw/zinc/38/98/54/1037389854.db2.gz YBQYHSUYVFRNLX-AUUYWEPGSA-N 1 0 325.412 4.151 20 5 EIBDRO Cc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC2CC2)cn1 ZINC000592145653 1037753709 /nfs/dbraw/zinc/75/37/09/1037753709.db2.gz YDUJBLBGDUMFLX-UHFFFAOYSA-N 1 0 325.412 4.019 20 5 EIBDRO COc1cc(C[NH2+]C2(c3ccc(C)cc3)CCC2)c([N+](=O)[O-])cc1F ZINC000592186612 1037776434 /nfs/dbraw/zinc/77/64/34/1037776434.db2.gz DUPAHWBFMFSZQN-UHFFFAOYSA-N 1 0 344.386 4.220 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCC(F)(F)CC2)cc(C(F)(F)F)c1 ZINC000592367021 1037778845 /nfs/dbraw/zinc/77/88/45/1037778845.db2.gz LLICOSHGYWNQAN-UHFFFAOYSA-N 1 0 338.276 4.281 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)CC(F)F ZINC000592392497 1037785311 /nfs/dbraw/zinc/78/53/11/1037785311.db2.gz YBVJEIPUASGPKU-NEPJUHHUSA-N 1 0 332.416 4.346 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cscn1 ZINC000573982009 1037800951 /nfs/dbraw/zinc/80/09/51/1037800951.db2.gz BTVNLPWNFNVIKE-NWDGAFQWSA-N 1 0 337.470 4.273 20 5 EIBDRO COc1cc(C[NH2+]C2(c3ccccc3C)CCC2)c([N+](=O)[O-])cc1F ZINC000593039605 1037903949 /nfs/dbraw/zinc/90/39/49/1037903949.db2.gz MWPIETGCLGHFRS-UHFFFAOYSA-N 1 0 344.386 4.220 20 5 EIBDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000574319039 1038167016 /nfs/dbraw/zinc/16/70/16/1038167016.db2.gz BMHRLNHGYGDXCQ-QGZVFWFLSA-N 1 0 342.443 4.395 20 5 EIBDRO COc1cc(C[NH2+][C@H](C)C2CCC(F)(F)CC2)c([N+](=O)[O-])cc1F ZINC000594040013 1038270276 /nfs/dbraw/zinc/27/02/76/1038270276.db2.gz BVASOYZAGZFKGC-SNVBAGLBSA-N 1 0 346.349 4.046 20 5 EIBDRO COc1cc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)ccc1[N+](=O)[O-] ZINC000489987200 1038308182 /nfs/dbraw/zinc/30/81/82/1038308182.db2.gz HZMBYKMSHUHQNH-UHFFFAOYSA-N 1 0 344.386 4.302 20 5 EIBDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000539056701 1038803639 /nfs/dbraw/zinc/80/36/39/1038803639.db2.gz WPSVHVOFPAHOPH-PJIJBLCYSA-N 1 0 344.411 4.030 20 5 EIBDRO COc1cccc(C[C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000539078173 1038824877 /nfs/dbraw/zinc/82/48/77/1038824877.db2.gz NCESWTJMNHLBBT-HUUCEWRRSA-N 1 0 328.412 4.194 20 5 EIBDRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539080474 1038826457 /nfs/dbraw/zinc/82/64/57/1038826457.db2.gz VRPSIYHXNCSWAG-KSSFIOAISA-N 1 0 326.396 4.304 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]C/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000504921187 1038844333 /nfs/dbraw/zinc/84/43/33/1038844333.db2.gz RYTPTLLIENXSLY-YYRKOSNBSA-N 1 0 326.396 4.358 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCOC1CCCC1 ZINC000504911195 1038847440 /nfs/dbraw/zinc/84/74/40/1038847440.db2.gz BWMCGVYRJIPNIC-CQSZACIVSA-N 1 0 338.473 4.014 20 5 EIBDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 ZINC000504926009 1038857697 /nfs/dbraw/zinc/85/76/97/1038857697.db2.gz GHQDOTBVSQNDSQ-AWEZNQCLSA-N 1 0 344.411 4.243 20 5 EIBDRO COc1ccccc1[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000537615048 1038895309 /nfs/dbraw/zinc/89/53/09/1038895309.db2.gz JZJKMCMWQSOMSE-BQLWYNFJSA-N 1 0 338.407 4.106 20 5 EIBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534108686 1039128671 /nfs/dbraw/zinc/12/86/71/1039128671.db2.gz STTWNPBVIBXMQW-INIZCTEOSA-N 1 0 329.400 4.260 20 5 EIBDRO Cc1ccccc1C[NH+]1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000555380297 1039132155 /nfs/dbraw/zinc/13/21/55/1039132155.db2.gz QVCZIRBQWVSKLV-UHFFFAOYSA-N 1 0 343.402 4.119 20 5 EIBDRO COC(C)(C)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513820470 1039293039 /nfs/dbraw/zinc/29/30/39/1039293039.db2.gz PYANHCVJKVVILY-UXLLHSPISA-N 1 0 334.460 4.099 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000534329301 1039325029 /nfs/dbraw/zinc/32/50/29/1039325029.db2.gz ZZBNCGXPMHOKKF-STQMWFEESA-N 1 0 334.441 4.337 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H](c3cccnc3)C3CC3)o2)c1 ZINC000534645325 1039623728 /nfs/dbraw/zinc/62/37/28/1039623728.db2.gz ZMZUITXCJXDHFH-HXUWFJFHSA-N 1 0 349.390 4.491 20 5 EIBDRO CCC[C@H]([NH2+][C@H](COC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000089667756 1039727282 /nfs/dbraw/zinc/72/72/82/1039727282.db2.gz NBQVWBJTGXFTCT-RBUKOAKNSA-N 1 0 328.412 4.413 20 5 EIBDRO CCC1(C)CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000534858801 1039828040 /nfs/dbraw/zinc/82/80/40/1039828040.db2.gz KKOVKOHRVHOFTA-UHFFFAOYSA-N 1 0 329.400 4.262 20 5 EIBDRO CCc1ccc([C@@H](N[C@@H]2CCC[C@@H]2F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000550931319 1039836170 /nfs/dbraw/zinc/83/61/70/1039836170.db2.gz QERGIUDKLKFCMM-JZXOWHBKSA-N 1 0 332.375 4.320 20 5 EIBDRO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(F)cc1 ZINC000434836555 1039881777 /nfs/dbraw/zinc/88/17/77/1039881777.db2.gz OBPURSLSGXHVPW-UHFFFAOYSA-N 1 0 343.358 4.287 20 5 EIBDRO COc1ccccc1C1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000482132017 1040028124 /nfs/dbraw/zinc/02/81/24/1040028124.db2.gz XTFASNIUHNOYOE-HNNXBMFYSA-N 1 0 340.423 4.294 20 5 EIBDRO CCOc1cccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192681551 1040057600 /nfs/dbraw/zinc/05/76/00/1040057600.db2.gz PVZLRIJHGHFSJE-LJQANCHMSA-N 1 0 326.396 4.161 20 5 EIBDRO CC(C)=CCC[C@@H](C)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000482440462 1040249719 /nfs/dbraw/zinc/24/97/19/1040249719.db2.gz RHFCRYCDTHLOMF-MRXNPFEDSA-N 1 0 334.464 4.201 20 5 EIBDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000159987323 1040296641 /nfs/dbraw/zinc/29/66/41/1040296641.db2.gz UWUIFDVOTDPXJL-KBPBESRZSA-N 1 0 344.411 4.332 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000482514005 1040310889 /nfs/dbraw/zinc/31/08/89/1040310889.db2.gz SBYWMPLRKXIDMS-LIRRHRJNSA-N 1 0 328.412 4.362 20 5 EIBDRO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000482517578 1040314595 /nfs/dbraw/zinc/31/45/95/1040314595.db2.gz ZSVQUNJOXIGPFU-APECEVEPSA-N 1 0 328.334 4.271 20 5 EIBDRO CCc1nc(C)c([C@@H](C)[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000122165778 1040329332 /nfs/dbraw/zinc/32/93/32/1040329332.db2.gz OTKRDRQEIMFYED-CYBMUJFWSA-N 1 0 333.457 4.158 20 5 EIBDRO COC1CCC(C)(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000479456988 1040364618 /nfs/dbraw/zinc/36/46/18/1040364618.db2.gz XCWOUXCQTNUBAX-QPIRBTGLSA-N 1 0 346.471 4.101 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000029833342 1040465919 /nfs/dbraw/zinc/46/59/19/1040465919.db2.gz GWNOXCWIFVWUDE-OAHLLOKOSA-N 1 0 337.379 4.116 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2nc(CN(Cc3ccccc3)C3CC3)co2)cc1 ZINC000089883036 1040504057 /nfs/dbraw/zinc/50/40/57/1040504057.db2.gz JKJWANGIYIQFDV-UHFFFAOYSA-N 1 0 349.390 4.414 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435740971 1040594099 /nfs/dbraw/zinc/59/40/99/1040594099.db2.gz MVLNQWAFYLXXSW-DYMHMQNTSA-N 1 0 326.371 4.283 20 5 EIBDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000160552463 1040595380 /nfs/dbraw/zinc/59/53/80/1040595380.db2.gz ZMUMNLQRPFLOKV-STQMWFEESA-N 1 0 332.404 4.074 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)c(F)c1 ZINC000435783296 1040631862 /nfs/dbraw/zinc/63/18/62/1040631862.db2.gz WGLDHGWFSUFLTJ-CTYIDZIISA-N 1 0 334.778 4.423 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1CN1CC(C)(C)[C@@H]1c1cccs1 ZINC000553993626 1040684893 /nfs/dbraw/zinc/68/48/93/1040684893.db2.gz VRWWZFLBYJVMOD-INIZCTEOSA-N 1 0 332.425 4.248 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000483127460 1040719812 /nfs/dbraw/zinc/71/98/12/1040719812.db2.gz FILJMGVOJHCZDL-FUHWJXTLSA-N 1 0 339.439 4.223 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CCCO)c1ccccc1 ZINC000160789203 1040757737 /nfs/dbraw/zinc/75/77/37/1040757737.db2.gz IGBVJBZIRFEIID-BEFAXECRSA-N 1 0 328.412 4.068 20 5 EIBDRO CCc1ccc([C@H]([NH2+][C@H]2CC[C@H](F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000554093042 1040776417 /nfs/dbraw/zinc/77/64/17/1040776417.db2.gz UIVIOIXKYXMNTI-SUNYJGFJSA-N 1 0 332.375 4.320 20 5 EIBDRO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000515495918 1040801744 /nfs/dbraw/zinc/80/17/44/1040801744.db2.gz KFHOYKJNHMIAPD-UHFFFAOYSA-N 1 0 334.803 4.149 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000480005884 1040848968 /nfs/dbraw/zinc/84/89/68/1040848968.db2.gz CYUGHSVOWADYSY-MAUKXSAKSA-N 1 0 334.460 4.402 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000483448805 1040854902 /nfs/dbraw/zinc/85/49/02/1040854902.db2.gz NNGFUFAADZSEGG-AWEZNQCLSA-N 1 0 330.350 4.314 20 5 EIBDRO CCCCCn1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000537938118 1040903214 /nfs/dbraw/zinc/90/32/14/1040903214.db2.gz NDPKBTBIWSAVCL-OAHLLOKOSA-N 1 0 344.459 4.449 20 5 EIBDRO COc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000483616236 1040913989 /nfs/dbraw/zinc/91/39/89/1040913989.db2.gz AXHVPOHRYDVGKH-LSDHHAIUSA-N 1 0 344.411 4.030 20 5 EIBDRO COc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000483641747 1040925581 /nfs/dbraw/zinc/92/55/81/1040925581.db2.gz UXDQCWSGAKUBGT-HIFRSBDPSA-N 1 0 344.411 4.030 20 5 EIBDRO Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000537978163 1040948677 /nfs/dbraw/zinc/94/86/77/1040948677.db2.gz JAOWJSMMSXQHND-RHSMWYFYSA-N 1 0 326.396 4.304 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000537973505 1040980129 /nfs/dbraw/zinc/98/01/29/1040980129.db2.gz MXBBQVCPXKABDL-INIZCTEOSA-N 1 0 346.814 4.424 20 5 EIBDRO CCC[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000483730888 1040986166 /nfs/dbraw/zinc/98/61/66/1040986166.db2.gz OVWQXAZXIADCDH-XDNAFOTISA-N 1 0 332.444 4.229 20 5 EIBDRO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000540118219 1041141811 /nfs/dbraw/zinc/14/18/11/1041141811.db2.gz QKEDKQXOVPQKCG-KBXCAEBGSA-N 1 0 346.402 4.032 20 5 EIBDRO CCC[C@@H]([NH2+][C@H](CO)c1ccc(CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000540147127 1041172951 /nfs/dbraw/zinc/17/29/51/1041172951.db2.gz PFHBXDQVOZKUGP-WOJBJXKFSA-N 1 0 342.439 4.322 20 5 EIBDRO CCC[C@H]([NH2+]CC1(CCO)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000484286392 1041191356 /nfs/dbraw/zinc/19/13/56/1041191356.db2.gz DDZXAAOYMALVHO-SFHVURJKSA-N 1 0 334.460 4.359 20 5 EIBDRO CCC[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000540153794 1041202369 /nfs/dbraw/zinc/20/23/69/1041202369.db2.gz ISRUPALSVZMNDD-VQTJNVASSA-N 1 0 339.439 4.212 20 5 EIBDRO C[C@H]([NH2+]C[C@@H]1SCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000484473233 1041267455 /nfs/dbraw/zinc/26/74/55/1041267455.db2.gz JFTHAPCZOLQGGT-UGSOOPFHSA-N 1 0 328.437 4.276 20 5 EIBDRO C[C@H]([NH2+]C[C@H]1SCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000484473229 1041268086 /nfs/dbraw/zinc/26/80/86/1041268086.db2.gz JFTHAPCZOLQGGT-SCLBCKFNSA-N 1 0 328.437 4.276 20 5 EIBDRO Cc1c(C[NH2+]Cc2cccc(-c3cccnc3)c2)cccc1[N+](=O)[O-] ZINC000480442250 1041295465 /nfs/dbraw/zinc/29/54/65/1041295465.db2.gz HWWIHKVWBCJZPL-UHFFFAOYSA-N 1 0 333.391 4.255 20 5 EIBDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000120695784 1041344707 /nfs/dbraw/zinc/34/47/07/1041344707.db2.gz POTYTFUHWHDZFX-KBPBESRZSA-N 1 0 341.411 4.273 20 5 EIBDRO Cc1cc(N2CC[C@H](C(F)(F)F)[C@@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000480556009 1041388875 /nfs/dbraw/zinc/38/88/75/1041388875.db2.gz PQLUYVPELASYED-GWCFXTLKSA-N 1 0 339.317 4.229 20 5 EIBDRO CSc1ccc(OCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000540380640 1041429094 /nfs/dbraw/zinc/42/90/94/1041429094.db2.gz XFBODWUINYKLFN-CYBMUJFWSA-N 1 0 332.425 4.046 20 5 EIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000480673857 1041464928 /nfs/dbraw/zinc/46/49/28/1041464928.db2.gz WVKZWIZBNFRNBE-SNVBAGLBSA-N 1 0 340.210 4.190 20 5 EIBDRO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000538726800 1041499043 /nfs/dbraw/zinc/49/90/43/1041499043.db2.gz YJQCWHAHASNPTR-HUUCEWRRSA-N 1 0 342.443 4.006 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]CCOc2cccc(Cl)c2Cl)cs1 ZINC000540571151 1041537827 /nfs/dbraw/zinc/53/78/27/1041537827.db2.gz KGRDFSQGSCOMBA-UHFFFAOYSA-N 1 0 347.223 4.132 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463435168 1041568037 /nfs/dbraw/zinc/56/80/37/1041568037.db2.gz HNJPMNULCJZWGO-KGLIPLIRSA-N 1 0 346.349 4.156 20 5 EIBDRO Cc1c(C[NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000516500547 1041608045 /nfs/dbraw/zinc/60/80/45/1041608045.db2.gz YMHHUENBIGUDMA-CWTRNNRKSA-N 1 0 328.387 4.456 20 5 EIBDRO COCC1([NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000540750612 1041638471 /nfs/dbraw/zinc/63/84/71/1041638471.db2.gz MDUKWHCEJOEJBE-GFCCVEGCSA-N 1 0 332.425 4.153 20 5 EIBDRO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000463705256 1041719859 /nfs/dbraw/zinc/71/98/59/1041719859.db2.gz GGDLOIGADDPALS-SNVBAGLBSA-N 1 0 328.290 4.285 20 5 EIBDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000463705255 1041720809 /nfs/dbraw/zinc/72/08/09/1041720809.db2.gz GGDLOIGADDPALS-JTQLQIEISA-N 1 0 328.290 4.285 20 5 EIBDRO Cn1cccc1[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541070018 1041803405 /nfs/dbraw/zinc/80/34/05/1041803405.db2.gz PCGWCKYBQOCECU-QGZVFWFLSA-N 1 0 333.819 4.314 20 5 EIBDRO C[C@H]1c2ccccc2C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000541201049 1041842754 /nfs/dbraw/zinc/84/27/54/1041842754.db2.gz JDFNRSQHIHQECM-AWEZNQCLSA-N 1 0 349.390 4.369 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000414918362 1041967292 /nfs/dbraw/zinc/96/72/92/1041967292.db2.gz SFSLOUBIADOBRA-LJQANCHMSA-N 1 0 339.439 4.468 20 5 EIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000541602461 1042030118 /nfs/dbraw/zinc/03/01/18/1042030118.db2.gz CELHOMYJMRXCCK-LSDHHAIUSA-N 1 0 347.459 4.036 20 5 EIBDRO Cc1ccc(C[NH2+]CC2(c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000517551856 1042071348 /nfs/dbraw/zinc/07/13/48/1042071348.db2.gz UDUIFXBISIGRJM-UHFFFAOYSA-N 1 0 330.815 4.378 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000609135082 1042085488 /nfs/dbraw/zinc/08/54/88/1042085488.db2.gz ZKTIMDXDDLYDNW-IBGZPJMESA-N 1 0 325.412 4.401 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000541755134 1042094587 /nfs/dbraw/zinc/09/45/87/1042094587.db2.gz JETOYFFYBHSESH-KRWDZBQOSA-N 1 0 344.386 4.434 20 5 EIBDRO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC(C)(C)C1 ZINC000542251771 1042354171 /nfs/dbraw/zinc/35/41/71/1042354171.db2.gz AXMXONBWQVFMSG-CQSZACIVSA-N 1 0 343.427 4.160 20 5 EIBDRO COCCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000271814062 1042412152 /nfs/dbraw/zinc/41/21/52/1042412152.db2.gz REJWVMFXWKNXJL-LSDHHAIUSA-N 1 0 344.411 4.032 20 5 EIBDRO Cc1ccc(C[NH2+]CCc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000518263445 1042439517 /nfs/dbraw/zinc/43/95/17/1042439517.db2.gz QZNIFXOAEZJYAD-UHFFFAOYSA-N 1 0 338.329 4.254 20 5 EIBDRO Cc1c(C[N@H+](CCc2cccc(F)c2)C2CC2)cccc1[N+](=O)[O-] ZINC000506484265 1042493104 /nfs/dbraw/zinc/49/31/04/1042493104.db2.gz YHHHYZIUHVRZEA-UHFFFAOYSA-N 1 0 328.387 4.249 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2OCCc3sccc32)cc1[N+](=O)[O-] ZINC000426311576 1042545674 /nfs/dbraw/zinc/54/56/74/1042545674.db2.gz QKJJJSACAFCURA-VEVIJQCQSA-N 1 0 346.452 4.318 20 5 EIBDRO CC(C)(CCc1ccccc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000151961710 1042562612 /nfs/dbraw/zinc/56/26/12/1042562612.db2.gz NMRDUYUZRFGCCI-UHFFFAOYSA-N 1 0 339.395 4.237 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000426342703 1042576286 /nfs/dbraw/zinc/57/62/86/1042576286.db2.gz NFWUPJIKJCCULD-JCGVRSQUSA-N 1 0 346.452 4.318 20 5 EIBDRO CCCc1nc(C)c(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)o1 ZINC000492223071 1042584441 /nfs/dbraw/zinc/58/44/41/1042584441.db2.gz GSRMEXNPAWALND-LCYFTJDESA-N 1 0 329.400 4.037 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2cccnc2)C2CCCCC2)cc1 ZINC000609157691 1042662418 /nfs/dbraw/zinc/66/24/18/1042662418.db2.gz PEHJSMMEKIGCPA-FQEVSTJZSA-N 1 0 339.439 4.444 20 5 EIBDRO CCOc1cc(C[N@H+](C)[C@H](C)c2ccc(OC)cc2)ccc1[N+](=O)[O-] ZINC000492481485 1042667032 /nfs/dbraw/zinc/66/70/32/1042667032.db2.gz DUPWQDHEVMTOEU-CQSZACIVSA-N 1 0 344.411 4.195 20 5 EIBDRO CCOc1cc(C[NH2+][C@@H](c2ccccc2)C2CC2)ccc1[N+](=O)[O-] ZINC000492609642 1042705452 /nfs/dbraw/zinc/70/54/52/1042705452.db2.gz ULXFVNPMBCBOJV-IBGZPJMESA-N 1 0 326.396 4.234 20 5 EIBDRO COc1cc(C[NH2+]C(C)(C)c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000492853489 1042761934 /nfs/dbraw/zinc/76/19/34/1042761934.db2.gz QZLZKUTVRPAOHK-UHFFFAOYSA-N 1 0 334.803 4.282 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000761524217 1042874709 /nfs/dbraw/zinc/87/47/09/1042874709.db2.gz YVBRZRKUGVBNFE-LBPRGKRZSA-N 1 0 334.803 4.498 20 5 EIBDRO CCS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761527275 1042875761 /nfs/dbraw/zinc/87/57/61/1042875761.db2.gz REWXTMCNUSJQLR-CHWSQXEVSA-N 1 0 328.865 4.402 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCN(c3ccccc3)C2)cc1Cl ZINC000761528005 1042875887 /nfs/dbraw/zinc/87/58/87/1042875887.db2.gz XAWCXZALWPMATD-HNNXBMFYSA-N 1 0 345.830 4.007 20 5 EIBDRO COc1ccc([C@@H]2CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)cc1 ZINC000493505591 1042920858 /nfs/dbraw/zinc/92/08/58/1042920858.db2.gz XSHJGGPLOVCICI-CQSZACIVSA-N 1 0 346.814 4.246 20 5 EIBDRO CCc1ccc([C@@H]([NH2+]CCCSC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542470286 1042949094 /nfs/dbraw/zinc/94/90/94/1042949094.db2.gz GBRSXVBFGPJHSL-KRWDZBQOSA-N 1 0 334.441 4.182 20 5 EIBDRO CCOC[C@H](C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000494222795 1043033597 /nfs/dbraw/zinc/03/35/97/1043033597.db2.gz IHIRWVAQJBZCGJ-ZDUSSCGKSA-N 1 0 348.374 4.041 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000766029235 1043058924 /nfs/dbraw/zinc/05/89/24/1043058924.db2.gz POSHQVIUHGGYDC-FASAQXTFSA-N 1 0 346.402 4.287 20 5 EIBDRO CCOc1cc(Cl)ccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000507851781 1043153637 /nfs/dbraw/zinc/15/36/37/1043153637.db2.gz LDUZLCAWBJCCOS-LBPRGKRZSA-N 1 0 334.803 4.498 20 5 EIBDRO CC(C)Cc1ncc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000162747826 1043160063 /nfs/dbraw/zinc/16/00/63/1043160063.db2.gz KOPLCIWUFSJMKB-UHFFFAOYSA-N 1 0 333.457 4.275 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccnc2)C(C)C)cc1[N+](=O)[O-] ZINC000164147741 1043301651 /nfs/dbraw/zinc/30/16/51/1043301651.db2.gz OLSIWTXNWYJNAF-CRAIPNDOSA-N 1 0 327.428 4.389 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(c3cccc(Br)c3)CC2)c1 ZINC000077447923 1043321765 /nfs/dbraw/zinc/32/17/65/1043321765.db2.gz GZYZLNJTKFAWQC-UHFFFAOYSA-N 1 0 347.212 4.136 20 5 EIBDRO Cc1csc(C2([NH2+]C/C=C\c3ccccc3[N+](=O)[O-])CCCC2)n1 ZINC000255163518 1043325604 /nfs/dbraw/zinc/32/56/04/1043325604.db2.gz OOHXFXDVPZIPRY-VURMDHGXSA-N 1 0 343.452 4.432 20 5 EIBDRO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301769491 1043356395 /nfs/dbraw/zinc/35/63/95/1043356395.db2.gz INTCUQBYEXMJKZ-XJKSGUPXSA-N 1 0 349.862 4.010 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1CNCc1ccc(Cl)cc1F ZINC000494409792 1043468389 /nfs/dbraw/zinc/46/83/89/1043468389.db2.gz CKXLQTQVAMEJCQ-UHFFFAOYSA-N 1 0 338.766 4.076 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC23CCCC3)cc(C(F)(F)F)c1 ZINC000494475804 1043506548 /nfs/dbraw/zinc/50/65/48/1043506548.db2.gz MWEAVQCXEGSREI-CQSZACIVSA-N 1 0 328.334 4.426 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000494533840 1043571443 /nfs/dbraw/zinc/57/14/43/1043571443.db2.gz UMRSSVXYYMOQPT-MRXNPFEDSA-N 1 0 339.439 4.257 20 5 EIBDRO Cc1ccc(Br)cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000438905420 1043598319 /nfs/dbraw/zinc/59/83/19/1043598319.db2.gz QXCPKAXSCDTSOH-UHFFFAOYSA-N 1 0 349.228 4.264 20 5 EIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4CCC[C@H]4C3)CC2)cc1 ZINC000766190970 1043697284 /nfs/dbraw/zinc/69/72/84/1043697284.db2.gz JNNYPBCQFKDZRY-SOLBZPMBSA-N 1 0 343.471 4.122 20 5 EIBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731206537 1043717979 /nfs/dbraw/zinc/71/79/79/1043717979.db2.gz KWCICDUYKZALLK-ZDUSSCGKSA-N 1 0 348.472 4.271 20 5 EIBDRO CC[NH+](CC)CCC[C@H](C)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731205602 1043718437 /nfs/dbraw/zinc/71/84/37/1043718437.db2.gz BDVXXBFCMNMFLW-LBPRGKRZSA-N 1 0 336.461 4.127 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000245564810 1043984313 /nfs/dbraw/zinc/98/43/13/1043984313.db2.gz WKRAEWKJAZOVNR-KCQAQPDRSA-N 1 0 331.441 4.113 20 5 EIBDRO COc1ccc(C[NH2+][C@H](C)CC(C)(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000521831740 1043999822 /nfs/dbraw/zinc/99/98/22/1043999822.db2.gz JWXZOBMSXUJYIL-OAHLLOKOSA-N 1 0 342.439 4.449 20 5 EIBDRO CC(C)(C)OCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000521816179 1044006690 /nfs/dbraw/zinc/00/66/90/1044006690.db2.gz PEFBCLWKCGACAE-UHFFFAOYSA-N 1 0 334.441 4.228 20 5 EIBDRO COc1ccc(C[NH2+]CCCCCc2ccccc2)cc1[N+](=O)[O-] ZINC000521832978 1044024703 /nfs/dbraw/zinc/02/47/03/1044024703.db2.gz OJLQDWCPGZANAP-UHFFFAOYSA-N 1 0 328.412 4.106 20 5 EIBDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494762414 1044079199 /nfs/dbraw/zinc/07/91/99/1044079199.db2.gz YQXXXASTJHGWJO-FZKQIMNGSA-N 1 0 348.830 4.157 20 5 EIBDRO CC(C)c1ccc(C(=O)Nc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000439137657 1044133749 /nfs/dbraw/zinc/13/37/49/1044133749.db2.gz BGQMTSNNDYJGQA-UHFFFAOYSA-N 1 0 341.411 4.032 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1CC(F)(F)C1 ZINC000425956885 1044143902 /nfs/dbraw/zinc/14/39/02/1044143902.db2.gz YSPLFYGCOJFPFP-LBPRGKRZSA-N 1 0 330.400 4.100 20 5 EIBDRO C[C@H]1C[C@H](CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000543227682 1044192367 /nfs/dbraw/zinc/19/23/67/1044192367.db2.gz KJRRINDYFPVEIQ-LSDHHAIUSA-N 1 0 344.411 4.150 20 5 EIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C2CC(c3ccccc3)C2)c1 ZINC000466422945 1044433814 /nfs/dbraw/zinc/43/38/14/1044433814.db2.gz WPVIGJGNOCMERQ-UHFFFAOYSA-N 1 0 348.349 4.232 20 5 EIBDRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000466420408 1044443896 /nfs/dbraw/zinc/44/38/96/1044443896.db2.gz AMFKUIGAAKFHCF-GXTWGEPZSA-N 1 0 331.441 4.244 20 5 EIBDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000766208896 1044487071 /nfs/dbraw/zinc/48/70/71/1044487071.db2.gz AKEKJQBAMFJRHJ-LBPRGKRZSA-N 1 0 334.803 4.017 20 5 EIBDRO C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000543419368 1044559737 /nfs/dbraw/zinc/55/97/37/1044559737.db2.gz UQUSOGCQUHWHRQ-YWTNHNAXSA-N 1 0 346.471 4.101 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000543426791 1044577757 /nfs/dbraw/zinc/57/77/57/1044577757.db2.gz ZWKZLMBINTWXIX-LBPRGKRZSA-N 1 0 346.452 4.395 20 5 EIBDRO CC(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C)c1ccccc1 ZINC000428853305 1044721087 /nfs/dbraw/zinc/72/10/87/1044721087.db2.gz WNZJLUJRCNXNQA-AWEZNQCLSA-N 1 0 338.411 4.443 20 5 EIBDRO Cc1csc([C@H]2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000092788127 1044797687 /nfs/dbraw/zinc/79/76/87/1044797687.db2.gz QBPWPAPRTUMQIK-HNNXBMFYSA-N 1 0 331.441 4.048 20 5 EIBDRO CC(C)C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC(C)(C)C ZINC000474231291 1044809572 /nfs/dbraw/zinc/80/95/72/1044809572.db2.gz ZHQDMAMBQKFUOG-UHFFFAOYSA-N 1 0 346.431 4.149 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CC(C)(C)Cc3oc(C)cc32)cc1[N+](=O)[O-] ZINC000237314170 1044833674 /nfs/dbraw/zinc/83/36/74/1044833674.db2.gz WEVKJDSWGXGGNQ-OAHLLOKOSA-N 1 0 344.411 4.308 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000237314337 1044834131 /nfs/dbraw/zinc/83/41/31/1044834131.db2.gz BXBFTAHTOQCOBF-LSDHHAIUSA-N 1 0 328.412 4.281 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000025360098 1044842113 /nfs/dbraw/zinc/84/21/13/1044842113.db2.gz FURGTYBCNSLRBE-QGZVFWFLSA-N 1 0 330.359 4.080 20 5 EIBDRO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000154960914 1044852329 /nfs/dbraw/zinc/85/23/29/1044852329.db2.gz QUCHUVHGIOKEIE-MAUKXSAKSA-N 1 0 343.427 4.066 20 5 EIBDRO CC(C)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCc1nccs1 ZINC000093764125 1044853296 /nfs/dbraw/zinc/85/32/96/1044853296.db2.gz RCAPVWLOZBMCHD-FNORWQNLSA-N 1 0 331.441 4.018 20 5 EIBDRO CC(C)([NH2+]C[C@H]1CCC2(CCCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000429259323 1044858631 /nfs/dbraw/zinc/85/86/31/1044858631.db2.gz XFCAGQNORYSZIT-OAHLLOKOSA-N 1 0 332.444 4.301 20 5 EIBDRO Cc1csc([C@H](C)C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000193282686 1044864495 /nfs/dbraw/zinc/86/44/95/1044864495.db2.gz FVKDCGSQYNMKFS-BZNIZROVSA-N 1 0 331.441 4.130 20 5 EIBDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000736627151 1044960910 /nfs/dbraw/zinc/96/09/10/1044960910.db2.gz CLFIXOWMOIREBE-JSGCOSHPSA-N 1 0 332.350 4.251 20 5 EIBDRO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] ZINC000237344454 1044976852 /nfs/dbraw/zinc/97/68/52/1044976852.db2.gz ALCXCRWVKQKLQW-CQSZACIVSA-N 1 0 340.423 4.333 20 5 EIBDRO CCC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000495432788 1045099821 /nfs/dbraw/zinc/09/98/21/1045099821.db2.gz LHVSFZPPSXUGDR-HNNXBMFYSA-N 1 0 333.819 4.317 20 5 EIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)COC2 ZINC000495440318 1045120789 /nfs/dbraw/zinc/12/07/89/1045120789.db2.gz RBAHEWVJXKCJIP-LBPRGKRZSA-N 1 0 346.814 4.172 20 5 EIBDRO Cc1cc(NCc2ccc(Cl)cn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302082919 1045160605 /nfs/dbraw/zinc/16/06/05/1045160605.db2.gz MFXFVKYJFBBYFP-UHFFFAOYSA-N 1 0 328.759 4.112 20 5 EIBDRO COCCC1(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000302091737 1045160887 /nfs/dbraw/zinc/16/08/87/1045160887.db2.gz PYISMHSSHZBVKT-UHFFFAOYSA-N 1 0 329.400 4.070 20 5 EIBDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000611335834 1045282297 /nfs/dbraw/zinc/28/22/97/1045282297.db2.gz RUNIBBFEMVEHBF-GUYCJALGSA-N 1 0 342.395 4.086 20 5 EIBDRO CC(C)(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CCCCO1 ZINC000611336748 1045283132 /nfs/dbraw/zinc/28/31/32/1045283132.db2.gz AUYFIYMUNWZMMI-PKOBYXMFSA-N 1 0 346.471 4.101 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c(C)n1 ZINC000611522015 1045320625 /nfs/dbraw/zinc/32/06/25/1045320625.db2.gz FFTVCBCAVWQGOV-GFCCVEGCSA-N 1 0 333.819 4.153 20 5 EIBDRO CCOC(=O)CCC1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000611516715 1045320769 /nfs/dbraw/zinc/32/07/69/1045320769.db2.gz FIVBNPAUXSANDD-HNNXBMFYSA-N 1 0 348.443 4.020 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(c2cccnc2)CC1 ZINC000611516906 1045320948 /nfs/dbraw/zinc/32/09/48/1045320948.db2.gz WFGGKCRIUPDJTR-OAHLLOKOSA-N 1 0 325.412 4.239 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000153335017 1045515185 /nfs/dbraw/zinc/51/51/85/1045515185.db2.gz SYIFSHJQNHPEDB-SJCJKPOMSA-N 1 0 344.386 4.471 20 5 EIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(Br)cs1 ZINC000194089411 1045618592 /nfs/dbraw/zinc/61/85/92/1045618592.db2.gz FRSKNQARTZWYSE-VIFPVBQESA-N 1 0 341.230 4.270 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cc(C)cc(OC)c2)cc1[N+](=O)[O-] ZINC000090723829 1045708239 /nfs/dbraw/zinc/70/82/39/1045708239.db2.gz CEEGVLJWIGKILT-AWEZNQCLSA-N 1 0 344.411 4.161 20 5 EIBDRO C[C@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000153361967 1045717588 /nfs/dbraw/zinc/71/75/88/1045717588.db2.gz CSTJOHWTBBCSPZ-AWEZNQCLSA-N 1 0 341.411 4.162 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000194350735 1045719777 /nfs/dbraw/zinc/71/97/77/1045719777.db2.gz PYCAXQRBVSGKTL-STQMWFEESA-N 1 0 330.384 4.024 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)c2c(C)noc2C)cc1[N+](=O)[O-] ZINC000090762813 1045817392 /nfs/dbraw/zinc/81/73/92/1045817392.db2.gz OFZDPIUTBNUGIB-VXGBXAGGSA-N 1 0 347.415 4.053 20 5 EIBDRO CCCO[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153874064 1045939556 /nfs/dbraw/zinc/93/95/56/1045939556.db2.gz QAGYMJPXASXMNE-AWEZNQCLSA-N 1 0 326.824 4.029 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001170296942 1045982701 /nfs/dbraw/zinc/98/27/01/1045982701.db2.gz IKGYGPBDIGLAML-SCLBCKFNSA-N 1 0 346.402 4.414 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]CCCc2ccc(C)s2)c([N+](=O)[O-])c1 ZINC001170298139 1045983142 /nfs/dbraw/zinc/98/31/42/1045983142.db2.gz GHNDFYDSKSMZNG-CYBMUJFWSA-N 1 0 348.468 4.127 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](c2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC001170298961 1045983239 /nfs/dbraw/zinc/98/32/39/1045983239.db2.gz OPLLNJNYLOQQOY-XOBRGWDASA-N 1 0 340.423 4.275 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]C(C)(C)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001170304890 1045984696 /nfs/dbraw/zinc/98/46/96/1045984696.db2.gz HJMCPYPQISVVPT-CYBMUJFWSA-N 1 0 346.402 4.198 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCc3ccc(C)cc32)c([N+](=O)[O-])c1 ZINC001170305847 1045985486 /nfs/dbraw/zinc/98/54/86/1045985486.db2.gz QQRARCSETBUKLS-KUHUBIRLSA-N 1 0 340.423 4.120 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2csc(Cl)c2)c([N+](=O)[O-])c1 ZINC001170312986 1045994434 /nfs/dbraw/zinc/99/44/34/1045994434.db2.gz HOOQMCYBMRFSLC-SNVBAGLBSA-N 1 0 340.832 4.039 20 5 EIBDRO COc1ccc(C[C@H](C)[N@@H+]2CCc3ccccc3[C@H]2C)c([N+](=O)[O-])c1 ZINC001170327245 1045999010 /nfs/dbraw/zinc/99/90/10/1045999010.db2.gz GILACEBAQFNVAX-LSDHHAIUSA-N 1 0 340.423 4.154 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]C2(c3cccc(C)c3)CC2)c([N+](=O)[O-])c1 ZINC001170326029 1046000175 /nfs/dbraw/zinc/00/01/75/1046000175.db2.gz CLPFBQMPHLCFSM-OAHLLOKOSA-N 1 0 340.423 4.122 20 5 EIBDRO COc1ccc(C[C@@H](C)[N@H+](C)C/C=C/c2ccccc2)c([N+](=O)[O-])c1 ZINC001170352816 1046008294 /nfs/dbraw/zinc/00/82/94/1046008294.db2.gz RDIXPLQQYVOFDG-OJXHRBAXSA-N 1 0 340.423 4.180 20 5 EIBDRO COc1ccc(C[C@@H](C)[N@H+](C)Cc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC001170343516 1046019406 /nfs/dbraw/zinc/01/94/06/1046019406.db2.gz PVEWFDLLUJNELD-CYBMUJFWSA-N 1 0 348.830 4.320 20 5 EIBDRO COc1ccc(C[C@@H](C)[N@H+](C)CCc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC001170345256 1046019997 /nfs/dbraw/zinc/01/99/97/1046019997.db2.gz JBUIARYKJFAYSJ-MRXNPFEDSA-N 1 0 342.439 4.017 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCCCC3CCOCC3)C2)cc1 ZINC001170426059 1046147668 /nfs/dbraw/zinc/14/76/68/1046147668.db2.gz XFSPTVDWQVBRJI-LJQANCHMSA-N 1 0 346.471 4.371 20 5 EIBDRO CCCC[C@@H](COC)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000130660928 1046159420 /nfs/dbraw/zinc/15/94/20/1046159420.db2.gz NLFHMAAZFFDENQ-AWEZNQCLSA-N 1 0 349.456 4.013 20 5 EIBDRO CCC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000793243563 1046189089 /nfs/dbraw/zinc/18/90/89/1046189089.db2.gz SNSOPQUHZSIUPV-RYQVPKHVSA-N 1 0 340.423 4.100 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000536676553 1046660107 /nfs/dbraw/zinc/66/01/07/1046660107.db2.gz SEZQKLSYTZQROJ-GNJLHFKMSA-N 1 0 330.428 4.032 20 5 EIBDRO Cc1ccc(OCCCC[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000917137041 1046766214 /nfs/dbraw/zinc/76/62/14/1046766214.db2.gz HRGIPTQPKGYPON-UHFFFAOYSA-N 1 0 328.412 4.160 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(OC)cc2C)cc1[N+](=O)[O-] ZINC000536850563 1046821238 /nfs/dbraw/zinc/82/12/38/1046821238.db2.gz GJUQQLUVBYLOLK-AWEZNQCLSA-N 1 0 344.411 4.161 20 5 EIBDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000459641612 1046829920 /nfs/dbraw/zinc/82/99/20/1046829920.db2.gz RLVLIKBZTXNHAU-CYBMUJFWSA-N 1 0 333.819 4.144 20 5 EIBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1Cl ZINC000536879849 1046842859 /nfs/dbraw/zinc/84/28/59/1046842859.db2.gz UOJCDFKHBVELFA-STQMWFEESA-N 1 0 334.803 4.366 20 5 EIBDRO C[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1Cl ZINC000536879845 1046843441 /nfs/dbraw/zinc/84/34/41/1046843441.db2.gz UOJCDFKHBVELFA-CHWSQXEVSA-N 1 0 334.803 4.366 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000786819940 1046874938 /nfs/dbraw/zinc/87/49/38/1046874938.db2.gz GAGMNGLTCCVYKR-YHVDPYDOSA-N 1 0 343.452 4.430 20 5 EIBDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000786860430 1046876576 /nfs/dbraw/zinc/87/65/76/1046876576.db2.gz IHWQQZDGGUXFMK-SJKOYZFVSA-N 1 0 334.803 4.114 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+]C3(C4CCC4)CCC3)co2)cc1 ZINC000459782927 1046882010 /nfs/dbraw/zinc/88/20/10/1046882010.db2.gz YQPQGOCKZJVMKB-UHFFFAOYSA-N 1 0 327.384 4.062 20 5 EIBDRO C[N@@H+]1CCCC[C@@H]1CCSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000787999380 1047079283 /nfs/dbraw/zinc/07/92/83/1047079283.db2.gz NQXHSMSDZYRHHR-LLVKDONJSA-N 1 0 337.470 4.171 20 5 EIBDRO COc1ccc([C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000537288180 1047095569 /nfs/dbraw/zinc/09/55/69/1047095569.db2.gz MAUILSQKOZPLKL-ORAYPTAESA-N 1 0 326.396 4.405 20 5 EIBDRO CCCCOc1cccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788540847 1047218564 /nfs/dbraw/zinc/21/85/64/1047218564.db2.gz VZNQHIKXTXEABP-AWEZNQCLSA-N 1 0 343.427 4.207 20 5 EIBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](O)c1ccccc1 ZINC000788535095 1047231846 /nfs/dbraw/zinc/23/18/46/1047231846.db2.gz CDPOMXUZQLMFBL-ZWKOTPCHSA-N 1 0 348.830 4.096 20 5 EIBDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788593367 1047241687 /nfs/dbraw/zinc/24/16/87/1047241687.db2.gz XKNUZMXCYNXBOM-OAUYIBNBSA-N 1 0 344.411 4.012 20 5 EIBDRO CC1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2cc([N+](=O)[O-])ccc21 ZINC000788593602 1047241881 /nfs/dbraw/zinc/24/18/81/1047241881.db2.gz ZHXQUKFPLHSJPX-KRWDZBQOSA-N 1 0 341.367 4.015 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788649270 1047248386 /nfs/dbraw/zinc/24/83/86/1047248386.db2.gz RIOVPKYIICESMW-MGPLVRAMSA-N 1 0 331.803 4.169 20 5 EIBDRO CC(C)[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000788621161 1047252871 /nfs/dbraw/zinc/25/28/71/1047252871.db2.gz KWXOCCHCVUZKFO-ZOCIIQOWSA-N 1 0 328.412 4.004 20 5 EIBDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000788624399 1047253940 /nfs/dbraw/zinc/25/39/40/1047253940.db2.gz YCINMHFSQQZSEN-KYNGSXCRSA-N 1 0 328.412 4.004 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788671806 1047269522 /nfs/dbraw/zinc/26/95/22/1047269522.db2.gz NXVVAUVLWREAHY-PXAZEXFGSA-N 1 0 325.412 4.250 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788671811 1047270260 /nfs/dbraw/zinc/27/02/60/1047270260.db2.gz NXVVAUVLWREAHY-SJKOYZFVSA-N 1 0 325.412 4.250 20 5 EIBDRO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788736362 1047296951 /nfs/dbraw/zinc/29/69/51/1047296951.db2.gz USTPVYKDAIMEKR-JMERFSKESA-N 1 0 325.412 4.151 20 5 EIBDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000476241874 1047437123 /nfs/dbraw/zinc/43/71/23/1047437123.db2.gz MFDFBZCJPUHFGP-SFHVURJKSA-N 1 0 340.423 4.119 20 5 EIBDRO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000556132941 1047484787 /nfs/dbraw/zinc/48/47/87/1047484787.db2.gz UWVFVPMGONKCTR-RIFZZMRRSA-N 1 0 339.439 4.081 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](c2ccncc2)C2CC2)o1 ZINC000898324261 1047617571 /nfs/dbraw/zinc/61/75/71/1047617571.db2.gz FUYHEKSDOZGFJI-HXUWFJFHSA-N 1 0 349.390 4.491 20 5 EIBDRO CCOc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000556412422 1047745408 /nfs/dbraw/zinc/74/54/08/1047745408.db2.gz DQUDHYQRGKOJHN-UHFFFAOYSA-N 1 0 334.803 4.245 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(C3CC3)c2)cc1[N+](=O)[O-] ZINC000550628421 1047780418 /nfs/dbraw/zinc/78/04/18/1047780418.db2.gz HUEHHRKAHZKRCF-ZDUSSCGKSA-N 1 0 326.396 4.332 20 5 EIBDRO CCOc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000556611694 1047841616 /nfs/dbraw/zinc/84/16/16/1047841616.db2.gz UBELHESLQKTJHR-GFCCVEGCSA-N 1 0 334.803 4.498 20 5 EIBDRO COc1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1OC ZINC000194999583 1047912847 /nfs/dbraw/zinc/91/28/47/1047912847.db2.gz IEBZDADGWRKEJV-UHFFFAOYSA-N 1 0 344.411 4.023 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)c1 ZINC000814301190 1047966010 /nfs/dbraw/zinc/96/60/10/1047966010.db2.gz WGZXGIQFGXXKIC-NNUKFRKNSA-N 1 0 334.778 4.423 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2cccc(F)n2)s1 ZINC000747936254 1047998456 /nfs/dbraw/zinc/99/84/56/1047998456.db2.gz SFZGBDYMJORVER-UHFFFAOYSA-N 1 0 343.383 4.147 20 5 EIBDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815561087 1048510032 /nfs/dbraw/zinc/51/00/32/1048510032.db2.gz XXTLVZNTOAYRDH-ZIAGYGMSSA-N 1 0 343.427 4.376 20 5 EIBDRO CC(C)(C)C(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000815629967 1048554367 /nfs/dbraw/zinc/55/43/67/1048554367.db2.gz TXGBLGDYLSLCEX-UHFFFAOYSA-N 1 0 333.476 4.226 20 5 EIBDRO C[C@@H]([NH2+]C1(c2ccc(Cl)cc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815605618 1048558230 /nfs/dbraw/zinc/55/82/30/1048558230.db2.gz ZXFWRMVEOOBXMP-LLVKDONJSA-N 1 0 331.803 4.170 20 5 EIBDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCOCC1 ZINC000809972633 1048593447 /nfs/dbraw/zinc/59/34/47/1048593447.db2.gz AMMCNXLXZYWXOU-AWEZNQCLSA-N 1 0 347.242 4.196 20 5 EIBDRO Cc1csc([C@@H]2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000195328851 1048653780 /nfs/dbraw/zinc/65/37/80/1048653780.db2.gz VPQOIYZFELTWJW-DZGCQCFKSA-N 1 0 331.441 4.300 20 5 EIBDRO Cc1csc([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000195322585 1048658141 /nfs/dbraw/zinc/65/81/41/1048658141.db2.gz NRWMSXSGFHQYJT-HNNXBMFYSA-N 1 0 331.441 4.048 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000846030892 1048798635 /nfs/dbraw/zinc/79/86/35/1048798635.db2.gz FHAKLURZNAWRAG-DAXOMENPSA-N 1 0 328.815 4.210 20 5 EIBDRO C[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccncc1 ZINC000811482715 1049079723 /nfs/dbraw/zinc/07/97/23/1049079723.db2.gz PXKHNKKIGDIFQD-SNVBAGLBSA-N 1 0 340.210 4.190 20 5 EIBDRO COCCC(C)(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811490036 1049085420 /nfs/dbraw/zinc/08/54/20/1049085420.db2.gz KSQXPLWQAPZTEU-UHFFFAOYSA-N 1 0 335.231 4.054 20 5 EIBDRO COc1ccc(C[N@@H+]2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC001170638495 1049179937 /nfs/dbraw/zinc/17/99/37/1049179937.db2.gz JGHMKQBZRJTALB-VKJFTORMSA-N 1 0 340.423 4.370 20 5 EIBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000195595589 1049261641 /nfs/dbraw/zinc/26/16/41/1049261641.db2.gz MCFVCMIYKHZCFQ-AWEZNQCLSA-N 1 0 330.432 4.065 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3Cc4ccccc4C3)o2)cc1 ZINC000609770446 1049309463 /nfs/dbraw/zinc/30/94/63/1049309463.db2.gz UAZDAVLRKGJXPI-UHFFFAOYSA-N 1 0 348.402 4.359 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000812359590 1049438021 /nfs/dbraw/zinc/43/80/21/1049438021.db2.gz ARKOHJGJCGWFIM-UHFFFAOYSA-N 1 0 340.301 4.092 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C)[C@H](O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000773040874 1049549329 /nfs/dbraw/zinc/54/93/29/1049549329.db2.gz OVOFHOUSIHFIHT-VMDGZTHMSA-N 1 0 346.402 4.287 20 5 EIBDRO CCC[C@H]([NH2+]C[C@@H](O)c1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000773062182 1049556788 /nfs/dbraw/zinc/55/67/88/1049556788.db2.gz AUQZEMAQZOMISV-RBUKOAKNSA-N 1 0 328.412 4.068 20 5 EIBDRO CCC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000773117400 1049588567 /nfs/dbraw/zinc/58/85/67/1049588567.db2.gz IDGKEOJMWLJFKW-GOSISDBHSA-N 1 0 343.383 4.177 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(c2ccccn2)CC1 ZINC000615836011 1049785747 /nfs/dbraw/zinc/78/57/47/1049785747.db2.gz FYYUPSOWJLXKCP-SSZFMOIBSA-N 1 0 337.423 4.273 20 5 EIBDRO CC(C)(C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccsc1 ZINC001171900382 1049817366 /nfs/dbraw/zinc/81/73/66/1049817366.db2.gz KSUJYAWIAQVFKS-UHFFFAOYSA-N 1 0 334.441 4.336 20 5 EIBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC001171050310 1049905046 /nfs/dbraw/zinc/90/50/46/1049905046.db2.gz WCNPFZYSNAFAGI-LSDHHAIUSA-N 1 0 340.851 4.320 20 5 EIBDRO c1ccc2c(c1)cc(-c1noc([C@@]34C[C@@H]3CC[NH2+]4)n1)c1ccccc21 ZINC001212343059 1050148676 /nfs/dbraw/zinc/14/86/76/1050148676.db2.gz HWXAFZHQDJLSGR-LHSJRXKWSA-N 1 0 327.387 4.252 20 5 EIBDRO CC[NH+](CC)[C@H](CNCc1c(C)ccc([N+](=O)[O-])c1C)CC(C)C ZINC001177209966 1050162442 /nfs/dbraw/zinc/16/24/42/1050162442.db2.gz URSCQRVGSAKCLN-KRWDZBQOSA-N 1 0 335.492 4.058 20 5 EIBDRO [NH3+]Cc1cn([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c2ccccc12 ZINC001172897007 1050200652 /nfs/dbraw/zinc/20/06/52/1050200652.db2.gz WDORZOKVZUHZNS-KRWDZBQOSA-N 1 0 335.407 4.128 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1F ZINC001172898739 1050203968 /nfs/dbraw/zinc/20/39/68/1050203968.db2.gz IVQMMCNUZJICQE-CJNGLKHVSA-N 1 0 328.387 4.332 20 5 EIBDRO Cc1ccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c(F)c1 ZINC001172900982 1050205289 /nfs/dbraw/zinc/20/52/89/1050205289.db2.gz IEBQDGYNKQWYDY-KRWDZBQOSA-N 1 0 328.387 4.080 20 5 EIBDRO C[NH2+]Cc1ccc2c(ccn2[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172904517 1050205849 /nfs/dbraw/zinc/20/58/49/1050205849.db2.gz NXAPZHDYUYNWNC-LJQANCHMSA-N 1 0 349.434 4.389 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC3(CC[C@H](F)C3)CC1)CC2 ZINC001172919123 1050233072 /nfs/dbraw/zinc/23/30/72/1050233072.db2.gz DPFJLFJYZBEONL-ZWKOTPCHSA-N 1 0 346.446 4.446 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@@H]1c1ccccn1)CC2 ZINC001172912624 1050244765 /nfs/dbraw/zinc/24/47/65/1050244765.db2.gz BZOGHFRKZPCBKF-FXAWDEMLSA-N 1 0 337.423 4.074 20 5 EIBDRO Cc1c(F)ccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1F ZINC001172912734 1050245734 /nfs/dbraw/zinc/24/57/34/1050245734.db2.gz OXGTXUVYOYNDSI-MRXNPFEDSA-N 1 0 346.377 4.219 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@H]1c1ccccn1)CC2 ZINC001172912633 1050245790 /nfs/dbraw/zinc/24/57/90/1050245790.db2.gz BZOGHFRKZPCBKF-XLIONFOSSA-N 1 0 337.423 4.074 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H](c3ccccc3)C1)CC2 ZINC001172909591 1050246567 /nfs/dbraw/zinc/24/65/67/1050246567.db2.gz TYMRMBWNTLAFGW-VQTJNVASSA-N 1 0 336.435 4.332 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001177869978 1050308072 /nfs/dbraw/zinc/30/80/72/1050308072.db2.gz GEAOFSBBNFSFHL-QAPCUYQASA-N 1 0 334.460 4.143 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H](C)c2ccccc2)c1F ZINC001173175809 1050334481 /nfs/dbraw/zinc/33/44/81/1050334481.db2.gz SYWVINQWFMRHPG-UONOGXRCSA-N 1 0 346.402 4.067 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)c2cccs2)c1F ZINC001173177121 1050334531 /nfs/dbraw/zinc/33/45/31/1050334531.db2.gz OWQPTBODGKOICT-MNOVXSKESA-N 1 0 338.404 4.086 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC(C)(C)CC2CC2)c1F ZINC001173177395 1050335897 /nfs/dbraw/zinc/33/58/97/1050335897.db2.gz BIUCHEYCFGIIAP-LBPRGKRZSA-N 1 0 338.423 4.089 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCCCC2(C)C)c1F ZINC001173177480 1050335998 /nfs/dbraw/zinc/33/59/98/1050335998.db2.gz ATBISKHSPVKCQD-LRDDRELGSA-N 1 0 338.423 4.232 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCC2=CCCCC2)c1F ZINC001173189001 1050336760 /nfs/dbraw/zinc/33/67/60/1050336760.db2.gz MWMWUGXWPGQTRZ-CYBMUJFWSA-N 1 0 336.407 4.154 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1ccc(Cl)cc1 ZINC001173214839 1050347269 /nfs/dbraw/zinc/34/72/69/1050347269.db2.gz QVLKKQPLUJINRV-CQSZACIVSA-N 1 0 332.831 4.402 20 5 EIBDRO CCO[C@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000775026932 1050351151 /nfs/dbraw/zinc/35/11/51/1050351151.db2.gz BVOKWYMKOKDBDO-QGZVFWFLSA-N 1 0 334.803 4.116 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC001173219556 1050353165 /nfs/dbraw/zinc/35/31/65/1050353165.db2.gz DDBRNFJIMBNCGR-HNNXBMFYSA-N 1 0 342.439 4.493 20 5 EIBDRO COc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173228975 1050356508 /nfs/dbraw/zinc/35/65/08/1050356508.db2.gz OWXKJYJRCFVPIA-RDJZCZTQSA-N 1 0 340.423 4.024 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC001173228397 1050357761 /nfs/dbraw/zinc/35/77/61/1050357761.db2.gz VWJRYGBONXNMDD-BEFAXECRSA-N 1 0 342.464 4.316 20 5 EIBDRO COc1ccc([C@H]2CC[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001173230756 1050358951 /nfs/dbraw/zinc/35/89/51/1050358951.db2.gz FLLMWHYCTNXUBO-QAPCUYQASA-N 1 0 340.423 4.024 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1c2ccccc2c2c1CC[C@H]([NH3+])C2 ZINC001173231557 1050360860 /nfs/dbraw/zinc/36/08/60/1050360860.db2.gz ARHOBLLQOBFGTP-ZBFHGGJFSA-N 1 0 349.434 4.169 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001173232640 1050360948 /nfs/dbraw/zinc/36/09/48/1050360948.db2.gz FEDWRADIKNTTLW-KPZWWZAWSA-N 1 0 330.815 4.456 20 5 EIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2)c1 ZINC000181880989 1050367736 /nfs/dbraw/zinc/36/77/36/1050367736.db2.gz YNQXZVZOHXJZEU-MRXNPFEDSA-N 1 0 339.439 4.088 20 5 EIBDRO Cc1ccccc1C[C@@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000618551773 1050409103 /nfs/dbraw/zinc/40/91/03/1050409103.db2.gz ZWQOFKORSAHUEZ-CQSZACIVSA-N 1 0 339.395 4.107 20 5 EIBDRO C[NH+](C)C[C@H](CNc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001186895929 1050437691 /nfs/dbraw/zinc/43/76/91/1050437691.db2.gz JIDMEVRQDAUOLQ-AWEZNQCLSA-N 1 0 333.819 4.006 20 5 EIBDRO CC(C)[NH+]1CCC(CCNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC001187189946 1050498564 /nfs/dbraw/zinc/49/85/64/1050498564.db2.gz LZFXLGJPUWKUHV-UHFFFAOYSA-N 1 0 342.443 4.065 20 5 EIBDRO CC1(C)C(C[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])C1(C)C ZINC001178549480 1050499556 /nfs/dbraw/zinc/49/95/56/1050499556.db2.gz JDTIQVZWKGICDK-UHFFFAOYSA-N 1 0 341.249 4.129 20 5 EIBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1ccccc1 ZINC001173794411 1050574949 /nfs/dbraw/zinc/57/49/49/1050574949.db2.gz OJCFIRPWOQOUGA-UHFFFAOYSA-N 1 0 329.403 4.244 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000618967019 1050603556 /nfs/dbraw/zinc/60/35/56/1050603556.db2.gz PESDEERNDCRZPT-UHFFFAOYSA-N 1 0 329.787 4.062 20 5 EIBDRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618985558 1050612073 /nfs/dbraw/zinc/61/20/73/1050612073.db2.gz MLRFAPWOJWNQOD-SCLBCKFNSA-N 1 0 325.412 4.371 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])c(C)c1 ZINC001179458168 1050701673 /nfs/dbraw/zinc/70/16/73/1050701673.db2.gz PELRMLDXTSBUAO-UHFFFAOYSA-N 1 0 349.228 4.264 20 5 EIBDRO COc1ccc2oc(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)cc2c1 ZINC001179575861 1050719865 /nfs/dbraw/zinc/71/98/65/1050719865.db2.gz XJGBXWNDUAOOKR-GFCCVEGCSA-N 1 0 326.352 4.200 20 5 EIBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCS1 ZINC001179717460 1050763177 /nfs/dbraw/zinc/76/31/77/1050763177.db2.gz SXOORVSNSCRQLG-TZMCWYRMSA-N 1 0 332.425 4.229 20 5 EIBDRO CC[NH+](CC)CC[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001179800233 1050781617 /nfs/dbraw/zinc/78/16/17/1050781617.db2.gz OOZYOEMEECRNPQ-FQEVSTJZSA-N 1 0 341.455 4.158 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000619531733 1050805487 /nfs/dbraw/zinc/80/54/87/1050805487.db2.gz VXLPIJPADFNKIE-SFHVURJKSA-N 1 0 326.396 4.234 20 5 EIBDRO COc1ccc(CCC[N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC001180161917 1050906436 /nfs/dbraw/zinc/90/64/36/1050906436.db2.gz RDVYGMASRLUYIB-UHFFFAOYSA-N 1 0 348.830 4.321 20 5 EIBDRO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1C)CCC2 ZINC000183343920 1051096149 /nfs/dbraw/zinc/09/61/49/1051096149.db2.gz FAVBUJIQDVZNGR-MRXNPFEDSA-N 1 0 331.441 4.178 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000183512639 1051137367 /nfs/dbraw/zinc/13/73/67/1051137367.db2.gz AJSJHWMKOOZLFH-UYHISHBKSA-N 1 0 346.814 4.429 20 5 EIBDRO Cc1ccccc1OCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC001190417525 1051179163 /nfs/dbraw/zinc/17/91/63/1051179163.db2.gz JZZRKHFUSHABLW-UHFFFAOYSA-N 1 0 328.412 4.113 20 5 EIBDRO COc1cc(C)ccc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001181880183 1051337388 /nfs/dbraw/zinc/33/73/88/1051337388.db2.gz ONOJZNMRDLSJEX-KRWDZBQOSA-N 1 0 340.423 4.291 20 5 EIBDRO Cc1ccc(C(C)(C)C[N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC001191230908 1051404906 /nfs/dbraw/zinc/40/49/06/1051404906.db2.gz AJJWOWRPAUAAQA-UHFFFAOYSA-N 1 0 330.403 4.452 20 5 EIBDRO C[C@H](COc1ccccc1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774154196 1051486362 /nfs/dbraw/zinc/48/63/62/1051486362.db2.gz ASSJTLZAEGKVJZ-AUUYWEPGSA-N 1 0 326.396 4.029 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@]1(F)c1ccccc1 ZINC001182498764 1051619549 /nfs/dbraw/zinc/61/95/49/1051619549.db2.gz LKEUMSQPIPNGQZ-NIKGAXFTSA-N 1 0 328.387 4.143 20 5 EIBDRO CC(C)(C)[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC001192052844 1051625926 /nfs/dbraw/zinc/62/59/26/1051625926.db2.gz NFCBLTAEQVGNDL-UHFFFAOYSA-N 1 0 328.412 4.274 20 5 EIBDRO O=[N+]([O-])c1ccc(CN(Cc2ccccc2F)C2CCC2)cc1F ZINC001192215482 1051667467 /nfs/dbraw/zinc/66/74/67/1051667467.db2.gz URLPGZOOYUWEMC-UHFFFAOYSA-N 1 0 332.350 4.428 20 5 EIBDRO Cc1cc2cc3cc(C)c(Nc4cnc(N)nc4C)cc3[nH+]c2cc1N ZINC001175673250 1051726283 /nfs/dbraw/zinc/72/62/83/1051726283.db2.gz XDBJRNDJGLTHJA-UHFFFAOYSA-N 1 0 344.422 4.011 20 5 EIBDRO COc1cc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)c(F)cn1 ZINC001175691900 1051732621 /nfs/dbraw/zinc/73/26/21/1051732621.db2.gz GCXFQGIEMJNCRQ-UHFFFAOYSA-N 1 0 334.354 4.257 20 5 EIBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC001192661941 1051796659 /nfs/dbraw/zinc/79/66/59/1051796659.db2.gz HURILVCJXQTZRK-INIZCTEOSA-N 1 0 348.422 4.006 20 5 EIBDRO CC(C)C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001192662539 1051796675 /nfs/dbraw/zinc/79/66/75/1051796675.db2.gz OIWYEYZBXWPROC-IBGZPJMESA-N 1 0 328.412 4.351 20 5 EIBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC001192858832 1051824326 /nfs/dbraw/zinc/82/43/26/1051824326.db2.gz OBMTZHVGUVDJSX-HNNXBMFYSA-N 1 0 336.391 4.478 20 5 EIBDRO COc1ccc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cc1CO ZINC001175987342 1051859387 /nfs/dbraw/zinc/85/93/87/1051859387.db2.gz UVAHXPOMKGBXBU-UHFFFAOYSA-N 1 0 345.402 4.215 20 5 EIBDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001193071622 1051861911 /nfs/dbraw/zinc/86/19/11/1051861911.db2.gz XQBVUDRKYKBKDE-HXUWFJFHSA-N 1 0 340.423 4.071 20 5 EIBDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001193403463 1051917435 /nfs/dbraw/zinc/91/74/35/1051917435.db2.gz XFNVLRNNWVOWMX-GXFFZTMASA-N 1 0 327.222 4.026 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC001193499154 1051934644 /nfs/dbraw/zinc/93/46/44/1051934644.db2.gz YNDMDGZDHXLUPD-YJBOKZPZSA-N 1 0 347.459 4.036 20 5 EIBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001194084106 1052072893 /nfs/dbraw/zinc/07/28/93/1052072893.db2.gz ZIVTUVZSYPCPSQ-SNVBAGLBSA-N 1 0 344.358 4.361 20 5 EIBDRO O=[N+]([O-])c1ccc(Nc2cccc(C[NH+]3CCCC3)c2)c2ncccc12 ZINC001184681939 1052089559 /nfs/dbraw/zinc/08/95/59/1052089559.db2.gz ZXIFDHCPBFDARB-UHFFFAOYSA-N 1 0 348.406 4.482 20 5 EIBDRO CC[NH+]1CCC(CCNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC001185526500 1052255992 /nfs/dbraw/zinc/25/59/92/1052255992.db2.gz CDKIEGFRUYNSTR-UHFFFAOYSA-N 1 0 346.258 4.436 20 5 EIBDRO C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC001168528771 1052639778 /nfs/dbraw/zinc/63/97/78/1052639778.db2.gz GRBKWCAUJQMQPW-HZPDHXFCSA-N 1 0 328.412 4.146 20 5 EIBDRO CC(C)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000083132203 1052833674 /nfs/dbraw/zinc/83/36/74/1052833674.db2.gz YLBLNNUFCALFHV-SFHVURJKSA-N 1 0 325.368 4.223 20 5 EIBDRO Cc1c(C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)cccc1[N+](=O)[O-] ZINC000850464610 1053240861 /nfs/dbraw/zinc/24/08/61/1053240861.db2.gz JVFUHUGFVXZQHV-CQSZACIVSA-N 1 0 326.396 4.079 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@@H]2C[C@@H](O)c3ccccc32)c2cc([N+](=O)[O-])ccc21 ZINC000850526151 1053286581 /nfs/dbraw/zinc/28/65/81/1053286581.db2.gz BEFJPWIQTQCASR-CEXWTWQISA-N 1 0 338.407 4.085 20 5 EIBDRO CC1(C)C[C@H]([NH2+]CCC2SCCS2)c2cc([N+](=O)[O-])ccc21 ZINC000850569154 1053322684 /nfs/dbraw/zinc/32/26/84/1053322684.db2.gz VUQKYAXEXUNQSR-AWEZNQCLSA-N 1 0 338.498 4.103 20 5 EIBDRO COc1ccc(C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC001195225386 1053341504 /nfs/dbraw/zinc/34/15/04/1053341504.db2.gz SIWWBUKWCZSNRV-UHFFFAOYSA-N 1 0 334.803 4.197 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000794830241 1053441300 /nfs/dbraw/zinc/44/13/00/1053441300.db2.gz ITHFYGUNTKALRE-BPAFIMBUSA-N 1 0 342.439 4.456 20 5 EIBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120488970 1053475606 /nfs/dbraw/zinc/47/56/06/1053475606.db2.gz HURXIQZZWNRVFH-IRXDYDNUSA-N 1 0 334.803 4.023 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)cc1 ZINC001196003966 1053551461 /nfs/dbraw/zinc/55/14/61/1053551461.db2.gz FLBRPZRGNVWVIJ-SFHVURJKSA-N 1 0 326.396 4.348 20 5 EIBDRO CCC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC000776580321 1053563148 /nfs/dbraw/zinc/56/31/48/1053563148.db2.gz UFFHYEVLTUOMBX-VQTJNVASSA-N 1 0 340.423 4.028 20 5 EIBDRO CC(C)[N@H+](C)CC1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853206709 1053653608 /nfs/dbraw/zinc/65/36/08/1053653608.db2.gz UFRFLNRLYKZXKR-UHFFFAOYSA-N 1 0 341.402 4.089 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000853243186 1053660467 /nfs/dbraw/zinc/66/04/67/1053660467.db2.gz YUMNVSUNXVDJDV-SCLBCKFNSA-N 1 0 338.407 4.258 20 5 EIBDRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866345860 1053697047 /nfs/dbraw/zinc/69/70/47/1053697047.db2.gz GCZHCCWKBQDXGN-MNOVXSKESA-N 1 0 336.329 4.376 20 5 EIBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@@H](C)C2CCCCC2)c1 ZINC001196820024 1053779651 /nfs/dbraw/zinc/77/96/51/1053779651.db2.gz XAKMWMNBTBOLCA-CQSZACIVSA-N 1 0 348.443 4.030 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1cc2cnccc2o1 ZINC000866620985 1053809163 /nfs/dbraw/zinc/80/91/63/1053809163.db2.gz OOVLXGFLAJGQBA-UONOGXRCSA-N 1 0 339.395 4.408 20 5 EIBDRO [NH3+]CC[C@@H]1CN(c2ccc([N+](=O)[O-])c3ccccc32)c2ccccc21 ZINC001168549062 1053815155 /nfs/dbraw/zinc/81/51/55/1053815155.db2.gz RRDYCBOKKBOSAW-CQSZACIVSA-N 1 0 333.391 4.332 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000121901062 1053855777 /nfs/dbraw/zinc/85/57/77/1053855777.db2.gz YUBGZGJTXZEFQW-ZWKOTPCHSA-N 1 0 344.411 4.056 20 5 EIBDRO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775765414 1053860192 /nfs/dbraw/zinc/86/01/92/1053860192.db2.gz OCJRZXIHYJFIPW-UHFFFAOYSA-N 1 0 348.830 4.021 20 5 EIBDRO Cc1cc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000301402486 1053870272 /nfs/dbraw/zinc/87/02/72/1053870272.db2.gz DBHHFAZWGOOULM-RDTXWAMCSA-N 1 0 345.468 4.460 20 5 EIBDRO C[C@@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000173362885 1054217187 /nfs/dbraw/zinc/21/71/87/1054217187.db2.gz NSKVKFPZFSLGMW-MDASCCDHSA-N 1 0 326.396 4.166 20 5 EIBDRO COc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)cc1 ZINC000872017284 1054333142 /nfs/dbraw/zinc/33/31/42/1054333142.db2.gz YLSWNFKQEYEWRE-GFCCVEGCSA-N 1 0 332.425 4.176 20 5 EIBDRO COCCC(C)(C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872062592 1054373122 /nfs/dbraw/zinc/37/31/22/1054373122.db2.gz NNNUSXZSSJCINN-GFCCVEGCSA-N 1 0 326.462 4.030 20 5 EIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)ccc1Cl ZINC000872260619 1054426760 /nfs/dbraw/zinc/42/67/60/1054426760.db2.gz QDLZWAFNMLUZGD-HNNXBMFYSA-N 1 0 338.835 4.172 20 5 EIBDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])ccc1SC ZINC000873183965 1054504054 /nfs/dbraw/zinc/50/40/54/1054504054.db2.gz UEGYDAUQECRDJV-LBPRGKRZSA-N 1 0 332.425 4.176 20 5 EIBDRO C[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858563376 1054516914 /nfs/dbraw/zinc/51/69/14/1054516914.db2.gz PGMDZZRDADREQW-QMMMGPOBSA-N 1 0 345.346 4.108 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccns1 ZINC000858578652 1054526905 /nfs/dbraw/zinc/52/69/05/1054526905.db2.gz WXZMPFNVSLZAQV-KCQAQPDRSA-N 1 0 331.441 4.113 20 5 EIBDRO Cc1ccc(C[NH2+]CCc2ccc(OC(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC001201587625 1054857784 /nfs/dbraw/zinc/85/77/84/1054857784.db2.gz QYQPALJYCQOZID-UHFFFAOYSA-N 1 0 342.439 4.413 20 5 EIBDRO CC(C)(C)CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001202158656 1055063175 /nfs/dbraw/zinc/06/31/75/1055063175.db2.gz OKNLUVLUYBJMSN-AWEZNQCLSA-N 1 0 346.427 4.132 20 5 EIBDRO COc1ccccc1C[C@H](C)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC001202213289 1055089542 /nfs/dbraw/zinc/08/95/42/1055089542.db2.gz LHKIRLUPCNOQPD-QZFKAFNDSA-N 1 0 340.423 4.228 20 5 EIBDRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878420910 1055304134 /nfs/dbraw/zinc/30/41/34/1055304134.db2.gz RNQDSDGQQPHPSC-DZGCQCFKSA-N 1 0 344.415 4.093 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000765817380 1055525357 /nfs/dbraw/zinc/52/53/57/1055525357.db2.gz NXQODZBYWBDEIZ-UGSOOPFHSA-N 1 0 348.830 4.115 20 5 EIBDRO Cc1cc(N2CCC=C(c3ccco3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000553580356 1055560325 /nfs/dbraw/zinc/56/03/25/1055560325.db2.gz LWXRTYRRYHZACR-UHFFFAOYSA-N 1 0 335.363 4.338 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000301484953 1055585389 /nfs/dbraw/zinc/58/53/89/1055585389.db2.gz WCARNSIOQNZZFF-RDTXWAMCSA-N 1 0 345.468 4.460 20 5 EIBDRO CCN(C)c1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000765848033 1055876445 /nfs/dbraw/zinc/87/64/45/1055876445.db2.gz DXTKELQPZZYOMM-HNNXBMFYSA-N 1 0 327.428 4.210 20 5 EIBDRO CCN(CC)[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000327037039 1055972817 /nfs/dbraw/zinc/97/28/17/1055972817.db2.gz VZJVTLJXTPZBSA-HXUWFJFHSA-N 1 0 341.455 4.076 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1CN1CC(C)(C)[C@H]1c1cccs1 ZINC000553992226 1055976799 /nfs/dbraw/zinc/97/67/99/1055976799.db2.gz KJTLQXZMQVVPQK-MRXNPFEDSA-N 1 0 332.425 4.248 20 5 EIBDRO CC[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccs1 ZINC000554742355 1056153254 /nfs/dbraw/zinc/15/32/54/1056153254.db2.gz VBDHBKHCJFPGTO-HNNXBMFYSA-N 1 0 329.425 4.421 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000338707810 1056422587 /nfs/dbraw/zinc/42/25/87/1056422587.db2.gz LQOFBTWILXBHSZ-GPCFVJJQSA-N 1 0 342.370 4.251 20 5 EIBDRO CCC(C)(C)C1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000742369697 1058595362 /nfs/dbraw/zinc/59/53/62/1058595362.db2.gz DRRBHXHEXDMIHC-LEOMRAHMSA-N 1 0 334.460 4.213 20 5 EIBDRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000742374258 1058603060 /nfs/dbraw/zinc/60/30/60/1058603060.db2.gz UDXQQHGLBBEEDX-MSOLQXFVSA-N 1 0 328.387 4.468 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000766474117 1060377967 /nfs/dbraw/zinc/37/79/67/1060377967.db2.gz UXPMVFTZIZMMTE-OAQYLSRUSA-N 1 0 348.402 4.085 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](CCc2ccccc2Cl)C2CC2)cc1 ZINC001168847789 1060485184 /nfs/dbraw/zinc/48/51/84/1060485184.db2.gz GEKIOHIZIPZZFH-UHFFFAOYSA-N 1 0 330.815 4.455 20 5 EIBDRO CC(C)([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(Cl)cc(Cl)c1 ZINC001168978188 1060548040 /nfs/dbraw/zinc/54/80/40/1060548040.db2.gz PPBNRNZHBXZLJP-IINYFYTJSA-N 1 0 331.243 4.264 20 5 EIBDRO CC(C)([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(Cl)cc(Cl)c1 ZINC001168978190 1060549692 /nfs/dbraw/zinc/54/96/92/1060549692.db2.gz PPBNRNZHBXZLJP-YGRLFVJLSA-N 1 0 331.243 4.264 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2c(Cl)ccc(Cl)c2Cl)C1 ZINC001168986988 1060582526 /nfs/dbraw/zinc/58/25/26/1060582526.db2.gz GWBRXWHJPLLSJS-IUCAKERBSA-N 1 0 337.634 4.182 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+](CCc2ccccc2)Cc2ccccc2)C1 ZINC001169039305 1060593423 /nfs/dbraw/zinc/59/34/23/1060593423.db2.gz PKYPRGWLLIOVFM-SFTDATJTSA-N 1 0 338.451 4.177 20 5 EIBDRO CC(C)(C)Oc1ccc([C@@H]2CC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)cc1 ZINC001169055822 1060610231 /nfs/dbraw/zinc/61/02/31/1060610231.db2.gz QOGQSFIXGXMLTK-NXHRZFHOSA-N 1 0 346.471 4.099 20 5 EIBDRO CC1(C)C[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C[C@](C)(C[NH3+])C1 ZINC001169141564 1060660936 /nfs/dbraw/zinc/66/09/36/1060660936.db2.gz CBWDOBBWULNLSF-YJYMSZOUSA-N 1 0 342.443 4.099 20 5 EIBDRO CCOc1cc(C[N@@H+]2CC[C@H](c3cccc(C)c3)C2)ccc1[N+](=O)[O-] ZINC001169195951 1060680163 /nfs/dbraw/zinc/68/01/63/1060680163.db2.gz AODSCUZABFXIOD-SFHVURJKSA-N 1 0 340.423 4.291 20 5 EIBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC001169687647 1060901087 /nfs/dbraw/zinc/90/10/87/1060901087.db2.gz UYSOCBDMAQWRIP-UHFFFAOYSA-N 1 0 331.803 4.023 20 5 EIBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc2cnccc2c1[N+](=O)[O-] ZINC001169692436 1060902214 /nfs/dbraw/zinc/90/22/14/1060902214.db2.gz SZCHORSSCIHALM-QGZVFWFLSA-N 1 0 348.406 4.383 20 5 EIBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001169695121 1060904554 /nfs/dbraw/zinc/90/45/54/1060904554.db2.gz GGHXVHVNSXFAQO-MRXNPFEDSA-N 1 0 336.395 4.316 20 5 EIBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc(F)cc([N+](=O)[O-])c1C ZINC001169699473 1060908269 /nfs/dbraw/zinc/90/82/69/1060908269.db2.gz ZDXOYIXFKDTLBO-OAHLLOKOSA-N 1 0 329.375 4.282 20 5 EIBDRO C[NH+](C)CCC(C)(C)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001169718502 1060920935 /nfs/dbraw/zinc/92/09/35/1060920935.db2.gz OSOYHZPQQVCBTH-UHFFFAOYSA-N 1 0 327.428 4.404 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000532220051 1032099838 /nfs/dbraw/zinc/09/98/38/1032099838.db2.gz FMRIVOCZDOGKAX-CYBMUJFWSA-N 1 0 341.386 4.417 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533019993 1032449069 /nfs/dbraw/zinc/44/90/69/1032449069.db2.gz HKCGDLNNDZFLNU-CQSZACIVSA-N 1 0 348.406 4.321 20 5 EIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCC(C)C)C1CCCC1 ZINC000533253567 1032569461 /nfs/dbraw/zinc/56/94/61/1032569461.db2.gz BYMKWGKRBIOYCB-UHFFFAOYSA-N 1 0 347.459 4.132 20 5 EIBDRO C[C@H]1CCC[C@H](C)[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000533432026 1032758883 /nfs/dbraw/zinc/75/88/83/1032758883.db2.gz TZNRYTJPZWDBAJ-GJZGRUSLSA-N 1 0 343.427 4.303 20 5 EIBDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000034995602 1018803647 /nfs/dbraw/zinc/80/36/47/1018803647.db2.gz HOWIVZXCGDBSLF-GWCFXTLKSA-N 1 0 327.222 4.026 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CC)c2ccncc2)cc1[N+](=O)[O-] ZINC000153965545 1019074852 /nfs/dbraw/zinc/07/48/52/1019074852.db2.gz VKCNXMBTPPKQMI-CJNGLKHVSA-N 1 0 329.400 4.190 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000430236454 1019553193 /nfs/dbraw/zinc/55/31/93/1019553193.db2.gz AXLWWOHSZKFWMM-AWEZNQCLSA-N 1 0 346.349 4.014 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CCOCC1 ZINC000134490720 1019826042 /nfs/dbraw/zinc/82/60/42/1019826042.db2.gz WLKLDQMIPCHQSC-ZDUSSCGKSA-N 1 0 346.452 4.228 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1c(C)nn(C)c1C ZINC000133753083 1019828180 /nfs/dbraw/zinc/82/81/80/1019828180.db2.gz SHDGLYJUPQIPFY-YVEFUNNKSA-N 1 0 330.432 4.055 20 5 EIBDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCO2 ZINC000090217633 1032868041 /nfs/dbraw/zinc/86/80/41/1032868041.db2.gz ZFJAXQWYYDKBJV-DYVFJYSZSA-N 1 0 342.395 4.086 20 5 EIBDRO Cc1c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cccc1[N+](=O)[O-] ZINC000175830588 1021082701 /nfs/dbraw/zinc/08/27/01/1021082701.db2.gz ZENHYIIHRXKSBV-RDJZCZTQSA-N 1 0 346.452 4.053 20 5 EIBDRO O=[N+]([O-])c1cc(CN2CC3(CCOCC3)[C@@H]2c2ccccc2)cs1 ZINC000411997726 1021193233 /nfs/dbraw/zinc/19/32/33/1021193233.db2.gz JGTAKZVIWNOPHG-KRWDZBQOSA-N 1 0 344.436 4.010 20 5 EIBDRO Cc1ccc2cc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])ccc2n1 ZINC000348639872 1021244226 /nfs/dbraw/zinc/24/42/26/1021244226.db2.gz ZXVZZWKXMZKOBF-UHFFFAOYSA-N 1 0 335.407 4.126 20 5 EIBDRO CC(C)[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000580056404 1021581107 /nfs/dbraw/zinc/58/11/07/1021581107.db2.gz AHDGUVFRHSNVMB-LJQANCHMSA-N 1 0 344.411 4.102 20 5 EIBDRO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000560903493 1021641044 /nfs/dbraw/zinc/64/10/44/1021641044.db2.gz SCBXXRULUMRBCY-LBPRGKRZSA-N 1 0 342.424 4.206 20 5 EIBDRO CCOCCC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000193024676 1021705728 /nfs/dbraw/zinc/70/57/28/1021705728.db2.gz YHEIYANXJJNSFR-GOSISDBHSA-N 1 0 332.444 4.159 20 5 EIBDRO C[C@]1(c2ccccc2)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001167368105 1021767504 /nfs/dbraw/zinc/76/75/04/1021767504.db2.gz VMJJTXMRZPFDEQ-FQEVSTJZSA-N 1 0 340.423 4.027 20 5 EIBDRO C[C@H](NCc1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000548074333 1021839096 /nfs/dbraw/zinc/83/90/96/1021839096.db2.gz NPTBNALPXCYWQH-NSHDSACASA-N 1 0 346.337 4.190 20 5 EIBDRO C[C@H]([NH2+]C1CC(c2cc(F)cc(F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000581515165 1021859590 /nfs/dbraw/zinc/85/95/90/1021859590.db2.gz DFZBEIOIQNQOJG-HUZSNBGSSA-N 1 0 332.350 4.470 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1cncc(F)c1 ZINC000414133688 1021914948 /nfs/dbraw/zinc/91/49/48/1021914948.db2.gz BVZGYCBFLGDEFA-IYOUNJFTSA-N 1 0 343.402 4.191 20 5 EIBDRO CCc1ccc([C@H]([NH2+]C[C@@H](C)CCOC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414182100 1022049623 /nfs/dbraw/zinc/04/96/23/1022049623.db2.gz AMIYRJSPCKVYCY-IFXJQAMLSA-N 1 0 346.427 4.102 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3cccnc3)s2)cc1 ZINC000102421318 1022081432 /nfs/dbraw/zinc/08/14/32/1022081432.db2.gz ISCZVSUWSCBSHO-UHFFFAOYSA-N 1 0 339.420 4.051 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOc1ccccc1 ZINC000468631067 1022093114 /nfs/dbraw/zinc/09/31/14/1022093114.db2.gz QIBAAPMDQFZPSW-SSZFMOIBSA-N 1 0 326.396 4.057 20 5 EIBDRO C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CS1 ZINC000414236069 1022248137 /nfs/dbraw/zinc/24/81/37/1022248137.db2.gz VHSJQFYWDLAKFT-MZMPZRCHSA-N 1 0 328.437 4.168 20 5 EIBDRO Cc1c([C@H](C)[NH2+]Cc2cnccc2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000414238545 1022278742 /nfs/dbraw/zinc/27/87/42/1022278742.db2.gz XRMACTJAYJOBMR-AWEZNQCLSA-N 1 0 327.428 4.447 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)[C@@H](c1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000471602967 1022305885 /nfs/dbraw/zinc/30/58/85/1022305885.db2.gz QOQXMGDVLHYBJD-XPGWFJOJSA-N 1 0 341.455 4.327 20 5 EIBDRO CC[C@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000414275798 1022376138 /nfs/dbraw/zinc/37/61/38/1022376138.db2.gz UNKYPJKSHHBXDP-STQMWFEESA-N 1 0 332.366 4.484 20 5 EIBDRO CC[C@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000414275794 1022377203 /nfs/dbraw/zinc/37/72/03/1022377203.db2.gz UNKYPJKSHHBXDP-OLZOCXBDSA-N 1 0 332.366 4.484 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471612784 1022397927 /nfs/dbraw/zinc/39/79/27/1022397927.db2.gz UYOBXRRJHAPKDE-RZQQEMMASA-N 1 0 341.455 4.245 20 5 EIBDRO COc1ccc([C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000120194387 1022469389 /nfs/dbraw/zinc/46/93/89/1022469389.db2.gz FKXHFIPGLJEIGH-BFUOFWGJSA-N 1 0 326.396 4.405 20 5 EIBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310879500 1022498612 /nfs/dbraw/zinc/49/86/12/1022498612.db2.gz HUGPAMQCTVZINQ-INIZCTEOSA-N 1 0 343.402 4.058 20 5 EIBDRO CCOC(C)(C)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000188692894 1022551835 /nfs/dbraw/zinc/55/18/35/1022551835.db2.gz LGUOFTBHECTQLP-GOSISDBHSA-N 1 0 328.412 4.089 20 5 EIBDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000537985166 1022670590 /nfs/dbraw/zinc/67/05/90/1022670590.db2.gz VFZDJNJQXHSRIL-SUMWQHHRSA-N 1 0 332.375 4.081 20 5 EIBDRO Cc1csc(C2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000156712499 1022726785 /nfs/dbraw/zinc/72/67/85/1022726785.db2.gz TUNOOUQFNCLCSA-ZDUSSCGKSA-N 1 0 331.441 4.300 20 5 EIBDRO Cc1ccn(C2CC[NH+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)n1 ZINC000378349543 1022735785 /nfs/dbraw/zinc/73/57/85/1022735785.db2.gz KHQRLUJVSXWPOJ-UHFFFAOYSA-N 1 0 342.443 4.060 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2CCCS2)c2ccccc2)c1 ZINC000180753326 1022812794 /nfs/dbraw/zinc/81/27/94/1022812794.db2.gz LQPDSNLNCRADJR-QZTJIDSGSA-N 1 0 328.437 4.169 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C)c1ccncc1OC)c1cccc([N+](=O)[O-])c1 ZINC000188795981 1022848181 /nfs/dbraw/zinc/84/81/81/1022848181.db2.gz IBFAHAHBCKBIEE-DYVFJYSZSA-N 1 0 329.400 4.190 20 5 EIBDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581143537 1022857346 /nfs/dbraw/zinc/85/73/46/1022857346.db2.gz WRSLHJMLPINFMH-DLBZAZTESA-N 1 0 342.370 4.007 20 5 EIBDRO O=C(C[C@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-])c1cccs1 ZINC000177395732 1022921676 /nfs/dbraw/zinc/92/16/76/1022921676.db2.gz LDRGWLJJDOWEIG-GFCCVEGCSA-N 1 0 348.399 4.033 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000181350185 1022955363 /nfs/dbraw/zinc/95/53/63/1022955363.db2.gz NCCPYCZACKQKSS-QGZVFWFLSA-N 1 0 343.427 4.408 20 5 EIBDRO Cc1ccc(C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)cc1[N+](=O)[O-] ZINC000926797929 1022965468 /nfs/dbraw/zinc/96/54/68/1022965468.db2.gz WVOIROKBJBQCSQ-OAHLLOKOSA-N 1 0 331.803 4.119 20 5 EIBDRO COc1ccc2oc(C[NH2+]C(C)(C)c3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000126415820 1022999104 /nfs/dbraw/zinc/99/91/04/1022999104.db2.gz LRFJWPJVXSMNAM-UHFFFAOYSA-N 1 0 340.379 4.375 20 5 EIBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000189112167 1023027706 /nfs/dbraw/zinc/02/77/06/1023027706.db2.gz SFHUBVLLUXGNBA-WDEREUQCSA-N 1 0 338.791 4.021 20 5 EIBDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000417310995 1023257741 /nfs/dbraw/zinc/25/77/41/1023257741.db2.gz LHDZXSQXRMTSKJ-IPELMVKDSA-N 1 0 332.444 4.156 20 5 EIBDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000417310998 1023257773 /nfs/dbraw/zinc/25/77/73/1023257773.db2.gz LHDZXSQXRMTSKJ-SNRMKQJTSA-N 1 0 332.444 4.156 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3cc[nH]c3n1)CCCC2 ZINC000417350310 1023276054 /nfs/dbraw/zinc/27/60/54/1023276054.db2.gz PIAXSFDJGRBOCN-SFHVURJKSA-N 1 0 336.395 4.028 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566474333 1023302274 /nfs/dbraw/zinc/30/22/74/1023302274.db2.gz GNCFMNUHNNAELV-LWLIDHTLSA-N 1 0 344.386 4.087 20 5 EIBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132340 1023468675 /nfs/dbraw/zinc/46/86/75/1023468675.db2.gz AIUASQZZGBFPHP-UYAOXDASSA-N 1 0 340.423 4.195 20 5 EIBDRO CCCCOC1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000543977573 1033137828 /nfs/dbraw/zinc/13/78/28/1033137828.db2.gz DJPBCASGVBIUDO-UHFFFAOYSA-N 1 0 343.427 4.237 20 5 EIBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C3CC3)cc2)cc1[N+](=O)[O-] ZINC000418107786 1023533714 /nfs/dbraw/zinc/53/37/14/1023533714.db2.gz FCELYSQPZKIZJE-CYBMUJFWSA-N 1 0 326.396 4.332 20 5 EIBDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000157895416 1023606669 /nfs/dbraw/zinc/60/66/69/1023606669.db2.gz MWOXVJLFRMEQPA-CHWSQXEVSA-N 1 0 330.432 4.267 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c(Cl)c1 ZINC001167482336 1023695541 /nfs/dbraw/zinc/69/55/41/1023695541.db2.gz JHWPNCVJWRZAMQ-OAHLLOKOSA-N 1 0 330.815 4.313 20 5 EIBDRO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC2(CCCC2)C1 ZINC001167487225 1023819531 /nfs/dbraw/zinc/81/95/31/1023819531.db2.gz IDKWTZKHKAVVQM-UHFFFAOYSA-N 1 0 339.233 4.123 20 5 EIBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072776094 1023845158 /nfs/dbraw/zinc/84/51/58/1023845158.db2.gz JZISCOJRGMEVCL-XJKSGUPXSA-N 1 0 344.415 4.045 20 5 EIBDRO C[C@H]([NH2+]CCc1ccccc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000471787578 1023845320 /nfs/dbraw/zinc/84/53/20/1023845320.db2.gz MWWXGHRONJAPIG-LBPRGKRZSA-N 1 0 336.338 4.090 20 5 EIBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000466887397 1023979361 /nfs/dbraw/zinc/97/93/61/1023979361.db2.gz KAURJXWBMIRFDR-STQMWFEESA-N 1 0 348.374 4.039 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000181723101 1024023074 /nfs/dbraw/zinc/02/30/74/1024023074.db2.gz NMGFWYOBLZKKLQ-KKXDTOCCSA-N 1 0 326.396 4.200 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@H]4CCC[C@H]43)s2)cc1 ZINC000430880629 1024158647 /nfs/dbraw/zinc/15/86/47/1024158647.db2.gz YPSOJFSZLWQXOQ-SJORKVTESA-N 1 0 344.436 4.077 20 5 EIBDRO CC(C)(C)OC1CC(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000432251452 1024756093 /nfs/dbraw/zinc/75/60/93/1024756093.db2.gz SNJZNCWWRSTDSB-VURMDHGXSA-N 1 0 332.444 4.181 20 5 EIBDRO CC[NH+](CC)Cc1cccc(NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000236931515 1033235411 /nfs/dbraw/zinc/23/54/11/1033235411.db2.gz MCEWODCLQKGNQR-UHFFFAOYSA-N 1 0 327.428 4.357 20 5 EIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000610786815 1024851546 /nfs/dbraw/zinc/85/15/46/1024851546.db2.gz DCEYQJJCQNQWPT-CQSZACIVSA-N 1 0 337.489 4.137 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000610804223 1024986756 /nfs/dbraw/zinc/98/67/56/1024986756.db2.gz YCVNTGDFDXTOEU-UONOGXRCSA-N 1 0 345.468 4.068 20 5 EIBDRO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000105024249 1025083864 /nfs/dbraw/zinc/08/38/64/1025083864.db2.gz PFYIVGOAQXVOCN-GFCCVEGCSA-N 1 0 334.803 4.416 20 5 EIBDRO C[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000610967006 1025172075 /nfs/dbraw/zinc/17/20/75/1025172075.db2.gz ZGVXCWCHNPOQES-ZDUSSCGKSA-N 1 0 328.387 4.464 20 5 EIBDRO CC(C)(C)C(=O)NCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000236793556 1025250322 /nfs/dbraw/zinc/25/03/22/1025250322.db2.gz YXNSSLJRPJKPKP-UHFFFAOYSA-N 1 0 334.463 4.245 20 5 EIBDRO COc1cc(C)c(C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000024802639 1025295509 /nfs/dbraw/zinc/29/55/09/1025295509.db2.gz QLRVPXNYTLTYFY-CQSZACIVSA-N 1 0 344.411 4.113 20 5 EIBDRO Cc1ncc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)s1 ZINC000105448563 1025370501 /nfs/dbraw/zinc/37/05/01/1025370501.db2.gz QJRLGHRYVMAWLF-UHFFFAOYSA-N 1 0 345.449 4.378 20 5 EIBDRO COCC[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482006841 1025388335 /nfs/dbraw/zinc/38/83/35/1025388335.db2.gz ILXGCXMERNBQBI-OLZOCXBDSA-N 1 0 334.441 4.399 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000510998288 1025392889 /nfs/dbraw/zinc/39/28/89/1025392889.db2.gz OALVXVYHKSGTGG-IUODEOHRSA-N 1 0 328.815 4.299 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccncc1F ZINC000511002336 1025418687 /nfs/dbraw/zinc/41/86/87/1025418687.db2.gz VGSQHBHLODTOJL-OLZOCXBDSA-N 1 0 349.431 4.350 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)Oc2ccccc2)cc1[N+](=O)[O-] ZINC000539082698 1025800542 /nfs/dbraw/zinc/80/05/42/1025800542.db2.gz CQTTUSCPFWTFAF-LSDHHAIUSA-N 1 0 344.411 4.112 20 5 EIBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(CC(F)(F)F)CC2)cc1 ZINC000585755763 1025824365 /nfs/dbraw/zinc/82/43/65/1025824365.db2.gz JIEKUTWDKGPMEC-UHFFFAOYSA-N 1 0 346.349 4.028 20 5 EIBDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000934231112 1025885594 /nfs/dbraw/zinc/88/55/94/1025885594.db2.gz MFEFCTCUIZAOQW-JTQLQIEISA-N 1 0 340.210 4.017 20 5 EIBDRO CC(C)(CF)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000472128210 1025892872 /nfs/dbraw/zinc/89/28/72/1025892872.db2.gz NKVWMWSBQVQBRB-UHFFFAOYSA-N 1 0 326.755 4.346 20 5 EIBDRO COCC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000342340058 1025895881 /nfs/dbraw/zinc/89/58/81/1025895881.db2.gz OXWHFNMXKICDHL-QAPCUYQASA-N 1 0 328.412 4.332 20 5 EIBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C12CCCCC2 ZINC001167535352 1025981649 /nfs/dbraw/zinc/98/16/49/1025981649.db2.gz VGHVNPDQFUZIKA-MSOLQXFVSA-N 1 0 332.444 4.155 20 5 EIBDRO CC(C)Oc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511061419 1026045426 /nfs/dbraw/zinc/04/54/26/1026045426.db2.gz AOHCXBAEDRGRDK-UHFFFAOYSA-N 1 0 328.412 4.057 20 5 EIBDRO COCC1(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000551246116 1026104690 /nfs/dbraw/zinc/10/46/90/1026104690.db2.gz KBRZNRSQJZHSAE-WMZOPIPTSA-N 1 0 346.471 4.102 20 5 EIBDRO CCc1noc(CC)c1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279124584 1026113000 /nfs/dbraw/zinc/11/30/00/1026113000.db2.gz QHEHREHJMKCNRP-QGZVFWFLSA-N 1 0 343.427 4.220 20 5 EIBDRO CCOc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)ccc1OC ZINC000168816785 1026212339 /nfs/dbraw/zinc/21/23/39/1026212339.db2.gz SKFCYYUOEOLIJB-AWEZNQCLSA-N 1 0 344.411 4.161 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000478235988 1026529402 /nfs/dbraw/zinc/52/94/02/1026529402.db2.gz OHMQWJXFIWNEDD-CMPLNLGQSA-N 1 0 334.313 4.192 20 5 EIBDRO CC(C)(C)OCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000543705495 1026805561 /nfs/dbraw/zinc/80/55/61/1026805561.db2.gz QBFYAAZUJDFTDO-SFHVURJKSA-N 1 0 328.412 4.089 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(C(F)F)CC1 ZINC000479456958 1026818124 /nfs/dbraw/zinc/81/81/24/1026818124.db2.gz WVTDGDIBYKUDBE-NSHDSACASA-N 1 0 330.400 4.100 20 5 EIBDRO CCc1cccnc1[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000507524458 1026826248 /nfs/dbraw/zinc/82/62/48/1026826248.db2.gz JJCCWYQLPDOELH-HNNXBMFYSA-N 1 0 327.428 4.226 20 5 EIBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(F)(F)F ZINC000479618581 1026850558 /nfs/dbraw/zinc/85/05/58/1026850558.db2.gz XLLVMNGCVNAKNH-SNVBAGLBSA-N 1 0 328.290 4.143 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000507706231 1026882181 /nfs/dbraw/zinc/88/21/81/1026882181.db2.gz GWYQPYMVTCLHPF-BQLWYNFJSA-N 1 0 338.407 4.009 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000507706232 1026882572 /nfs/dbraw/zinc/88/25/72/1026882572.db2.gz GWYQPYMVTCLHPF-DBWMJRBXSA-N 1 0 338.407 4.009 20 5 EIBDRO CCSc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)ccn1 ZINC000187789827 1027024278 /nfs/dbraw/zinc/02/42/78/1027024278.db2.gz KZIULHPWBCZOGG-ZDUSSCGKSA-N 1 0 331.441 4.261 20 5 EIBDRO C[C@@H]([NH2+]CCc1nc(C(C)(C)C)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000178654136 1027260201 /nfs/dbraw/zinc/26/02/01/1027260201.db2.gz ZCGHUJMZEVSUDG-GFCCVEGCSA-N 1 0 333.457 4.242 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000160837469 1027375870 /nfs/dbraw/zinc/37/58/70/1027375870.db2.gz XTZABURPPSFCNF-MOPGFXCFSA-N 1 0 328.412 4.149 20 5 EIBDRO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]2CCCC[C@H]21 ZINC000543907230 1027444190 /nfs/dbraw/zinc/44/41/90/1027444190.db2.gz XNOQVEVQOJNUSC-JEBQAFNWSA-N 1 0 341.411 4.260 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000178685478 1027502759 /nfs/dbraw/zinc/50/27/59/1027502759.db2.gz SCJZLBWAEMSDRM-OLZOCXBDSA-N 1 0 329.356 4.223 20 5 EIBDRO C[C@H]([NH2+]CC1(CO)CCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000612422637 1027539062 /nfs/dbraw/zinc/53/90/62/1027539062.db2.gz NTDLAIXHOWSSQY-ZDUSSCGKSA-N 1 0 346.452 4.137 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3C3CCCCC3)nc2c1 ZINC000444592077 1027881665 /nfs/dbraw/zinc/88/16/65/1027881665.db2.gz OUQWFVBUNXPINN-KRWDZBQOSA-N 1 0 328.416 4.016 20 5 EIBDRO CC(C)O[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000428310755 1027982986 /nfs/dbraw/zinc/98/29/86/1027982986.db2.gz IMVSADMFDKDZBO-KXBFYZLASA-N 1 0 328.412 4.412 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000247976486 1028031208 /nfs/dbraw/zinc/03/12/08/1028031208.db2.gz HVQCVUPVVKEIDZ-MELADBBJSA-N 1 0 348.468 4.381 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000523439212 1028115491 /nfs/dbraw/zinc/11/54/91/1028115491.db2.gz OCSODBGZFMMWEG-OAHLLOKOSA-N 1 0 328.412 4.413 20 5 EIBDRO CN(C)C(=O)C1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC000162605200 1028151081 /nfs/dbraw/zinc/15/10/81/1028151081.db2.gz OJPVGXJHHPSQNC-UHFFFAOYSA-N 1 0 346.474 4.293 20 5 EIBDRO O=[N+]([O-])c1cc(F)c(NCc2cccc(C[NH+]3CCCC3)c2)c(F)c1 ZINC000440590163 1028180356 /nfs/dbraw/zinc/18/03/56/1028180356.db2.gz WVBAMATXEVQVHN-UHFFFAOYSA-N 1 0 347.365 4.081 20 5 EIBDRO CCOc1ccc([C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000523702014 1028324818 /nfs/dbraw/zinc/32/48/18/1028324818.db2.gz SJYSMCBLILHTCD-FQEVSTJZSA-N 1 0 340.423 4.373 20 5 EIBDRO CCCC[C@@H](COC)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000524067447 1028598396 /nfs/dbraw/zinc/59/83/96/1028598396.db2.gz RSCIMQRTOKLLQU-AWEZNQCLSA-N 1 0 332.400 4.150 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000346791080 1028672773 /nfs/dbraw/zinc/67/27/73/1028672773.db2.gz GQICPMWDJZSONS-SCLBCKFNSA-N 1 0 326.396 4.332 20 5 EIBDRO CC(C)(O)C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000428412181 1028794658 /nfs/dbraw/zinc/79/46/58/1028794658.db2.gz KZBAWMAUIJHXEK-UHFFFAOYSA-N 1 0 346.452 4.059 20 5 EIBDRO CC(C)C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000444201958 1029071802 /nfs/dbraw/zinc/07/18/02/1029071802.db2.gz VWMJNIFJEONIRH-UHFFFAOYSA-N 1 0 343.427 4.160 20 5 EIBDRO CC1(C)CCCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000446059495 1029117894 /nfs/dbraw/zinc/11/78/94/1029117894.db2.gz FLFLBHFPGVNTKJ-UHFFFAOYSA-N 1 0 343.427 4.304 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCSC3(CCC3)C2)cc1Cl ZINC000896951463 1029237395 /nfs/dbraw/zinc/23/73/95/1029237395.db2.gz OXJZGTTUJWDFKL-LBPRGKRZSA-N 1 0 326.849 4.156 20 5 EIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000475154818 1029300084 /nfs/dbraw/zinc/30/00/84/1029300084.db2.gz LUUCPQRVBNRDFX-UXLLHSPISA-N 1 0 347.459 4.035 20 5 EIBDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000523008762 1029366488 /nfs/dbraw/zinc/36/64/88/1029366488.db2.gz BGWWIUVELLLCKN-YOEHRIQHSA-N 1 0 328.387 4.154 20 5 EIBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C12CCCCC2 ZINC000525126727 1029465576 /nfs/dbraw/zinc/46/55/76/1029465576.db2.gz LHFNUHIWYVMVNG-CABCVRRESA-N 1 0 338.473 4.216 20 5 EIBDRO CCO[C@@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000446856689 1029610569 /nfs/dbraw/zinc/61/05/69/1029610569.db2.gz PQYJPIRFZJICSS-GRFAERAESA-N 1 0 340.423 4.366 20 5 EIBDRO CC(C)(C)c1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000446858348 1029612164 /nfs/dbraw/zinc/61/21/64/1029612164.db2.gz ZXJRNNMGKRAVNY-UHFFFAOYSA-N 1 0 338.411 4.058 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)cs1 ZINC000573170286 1029707362 /nfs/dbraw/zinc/70/73/62/1029707362.db2.gz QYJHTCZMZAXLMQ-ZDUSSCGKSA-N 1 0 344.358 4.167 20 5 EIBDRO Cc1ncc([C@H](C)[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000601299132 1029784881 /nfs/dbraw/zinc/78/48/81/1029784881.db2.gz IORBHNRZCIIEQH-BONVTDFDSA-N 1 0 331.441 4.433 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC(C3CC3)C3CC3)o2)c1 ZINC000525695833 1029928433 /nfs/dbraw/zinc/92/84/33/1029928433.db2.gz CUSICHVUFTZLPI-UHFFFAOYSA-N 1 0 326.396 4.381 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+][C@@H]3CCC34CCCC4)o2)c1 ZINC000451465128 1030515101 /nfs/dbraw/zinc/51/51/01/1030515101.db2.gz ZUPCGPCZZLWNFX-QGZVFWFLSA-N 1 0 341.411 4.105 20 5 EIBDRO CCCc1nc(C)c(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451554468 1030571757 /nfs/dbraw/zinc/57/17/57/1030571757.db2.gz ZVYQAZVAEVYISY-INIZCTEOSA-N 1 0 343.427 4.223 20 5 EIBDRO C[C@H]([NH2+]C1(Cc2ccccc2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000451938161 1030785198 /nfs/dbraw/zinc/78/51/98/1030785198.db2.gz IGKPJCUQYVCBEZ-INIZCTEOSA-N 1 0 340.423 4.037 20 5 EIBDRO Cc1csc([C@H](C)[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000130075160 1030819245 /nfs/dbraw/zinc/81/92/45/1030819245.db2.gz DYZNEFPXTLJCES-LZWOXQAQSA-N 1 0 345.468 4.422 20 5 EIBDRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000530974164 1030822165 /nfs/dbraw/zinc/82/21/65/1030822165.db2.gz VYZSZCBYYZDQFX-GXTWGEPZSA-N 1 0 330.350 4.362 20 5 EIBDRO CC[C@H]([NH2+]CCc1nc2c(cccc2C)o1)c1cccc([N+](=O)[O-])c1 ZINC000410357324 1031253272 /nfs/dbraw/zinc/25/32/72/1031253272.db2.gz DJZLGANRJVXXKX-INIZCTEOSA-N 1 0 339.395 4.328 20 5 EIBDRO CC(C)(C)[C@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000532578030 1031311585 /nfs/dbraw/zinc/31/15/85/1031311585.db2.gz OINSKJVGADIJQT-QGZVFWFLSA-N 1 0 343.427 4.303 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCCS2)s1 ZINC000531535638 1031340772 /nfs/dbraw/zinc/34/07/72/1031340772.db2.gz NIJJAZVSAUGVSY-LBPRGKRZSA-N 1 0 334.466 4.309 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1[N+](=O)[O-] ZINC000278789255 1031349477 /nfs/dbraw/zinc/34/94/77/1031349477.db2.gz QFQCSOSADDEPHB-YVEFUNNKSA-N 1 0 341.367 4.231 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000520213432 1031457908 /nfs/dbraw/zinc/45/79/08/1031457908.db2.gz CKIQMSNTJAKUKW-BLLLJJGKSA-N 1 0 330.384 4.142 20 5 EIBDRO COc1ccc(OCCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000531695140 1031477364 /nfs/dbraw/zinc/47/73/64/1031477364.db2.gz IIPAVHFSMZOYOQ-OAHLLOKOSA-N 1 0 344.411 4.032 20 5 EIBDRO Cc1cccnc1[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449156873 1031487194 /nfs/dbraw/zinc/48/71/94/1031487194.db2.gz TWIPXSQXGMNHEC-MAUKXSAKSA-N 1 0 327.428 4.216 20 5 EIBDRO CCC[C@H]([NH2+]C[C@H](OC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000531702099 1031488789 /nfs/dbraw/zinc/48/87/89/1031488789.db2.gz ZCEUGATYTCARMI-OALUTQOASA-N 1 0 328.412 4.413 20 5 EIBDRO COc1ccc2c(c1)CC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000612419894 1031500052 /nfs/dbraw/zinc/50/00/52/1031500052.db2.gz YCNJXLOWJGYVCX-RDTXWAMCSA-N 1 0 340.423 4.120 20 5 EIBDRO COc1cccc(C2(C[NH2+]Cc3cccc([N+](=O)[O-])c3)CCCC2)c1 ZINC000520231684 1031523867 /nfs/dbraw/zinc/52/38/67/1031523867.db2.gz XUQZHBOTVQHBGP-UHFFFAOYSA-N 1 0 340.423 4.205 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C)c3ccsc32)cc1[N+](=O)[O-] ZINC000453073682 1031558168 /nfs/dbraw/zinc/55/81/68/1031558168.db2.gz BXSRUCSEOQCZDK-BXUZGUMPSA-N 1 0 332.425 4.393 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449251123 1031567814 /nfs/dbraw/zinc/56/78/14/1031567814.db2.gz NCYKTHZSBOZMBP-LPMFXHHGSA-N 1 0 346.402 4.031 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000615721955 1031570999 /nfs/dbraw/zinc/57/09/99/1031570999.db2.gz PDAIFCPDKQUJDJ-HAZIXKIPSA-N 1 0 332.444 4.183 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000449254917 1031572911 /nfs/dbraw/zinc/57/29/11/1031572911.db2.gz AEQDOWRRLJIQHM-OLZOCXBDSA-N 1 0 341.436 4.486 20 5 EIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000449288751 1031616713 /nfs/dbraw/zinc/61/67/13/1031616713.db2.gz ZWCPGUKTLXNCJQ-UQPPLGOBSA-N 1 0 334.460 4.099 20 5 EIBDRO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449346853 1031644203 /nfs/dbraw/zinc/64/42/03/1031644203.db2.gz DNQHIVGWSJZPDT-KBPBESRZSA-N 1 0 338.411 4.143 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000449348647 1031644325 /nfs/dbraw/zinc/64/43/25/1031644325.db2.gz MRFLACZWJNVOIB-YXJHDRRASA-N 1 0 325.412 4.367 20 5 EIBDRO COC[C@]1(C)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000449398810 1031702341 /nfs/dbraw/zinc/70/23/41/1031702341.db2.gz YZFXNSSNGJRUPB-GOSISDBHSA-N 1 0 346.452 4.182 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000449489686 1031800134 /nfs/dbraw/zinc/80/01/34/1031800134.db2.gz AQUZANAASFRYBV-AXTVGJDGSA-N 1 0 332.444 4.039 20 5 EIBDRO CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1(C)C ZINC000449506689 1031815294 /nfs/dbraw/zinc/81/52/94/1031815294.db2.gz ZKMOMGKESLLEMT-GOSISDBHSA-N 1 0 344.411 4.102 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ncccc1C ZINC000453315064 1031841664 /nfs/dbraw/zinc/84/16/64/1031841664.db2.gz UPMRVGIIRSTSQA-OAHLLOKOSA-N 1 0 345.468 4.001 20 5 EIBDRO COc1ccc(C)cc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000531945046 1031856271 /nfs/dbraw/zinc/85/62/71/1031856271.db2.gz HKNJRAIVPVZTQY-HNNXBMFYSA-N 1 0 328.412 4.114 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cnn(CC)c1 ZINC000453355771 1031884429 /nfs/dbraw/zinc/88/44/29/1031884429.db2.gz IRHWBQYYYWSDGW-HIFRSBDPSA-N 1 0 348.472 4.033 20 5 EIBDRO COc1ccc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)c(CO)c1 ZINC001211747413 1033546094 /nfs/dbraw/zinc/54/60/94/1033546094.db2.gz BABWVLPCDXZXNO-UHFFFAOYSA-N 1 0 345.402 4.215 20 5 EIBDRO CN(C)c1cccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433174939 1033986899 /nfs/dbraw/zinc/98/68/99/1033986899.db2.gz OMQHUELWYVFKKJ-LJQANCHMSA-N 1 0 339.439 4.173 20 5 EIBDRO Cc1cnc([C@H](C)C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000433227650 1034074588 /nfs/dbraw/zinc/07/45/88/1034074588.db2.gz LTSBTULSZWPPME-BDJLRTHQSA-N 1 0 345.468 4.475 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000171410521 1034198120 /nfs/dbraw/zinc/19/81/20/1034198120.db2.gz JIYCEESDFLUFNN-NFFDBFGFSA-N 1 0 344.415 4.120 20 5 EIBDRO Cc1cc(N2CC[C@H](CC(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000433814337 1034935120 /nfs/dbraw/zinc/93/51/20/1034935120.db2.gz HYPMFSVBYGYGKK-LLVKDONJSA-N 1 0 339.317 4.230 20 5 EIBDRO CSc1ccccc1[C@@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000501496967 1035454309 /nfs/dbraw/zinc/45/43/09/1035454309.db2.gz VXLMHIBUQIFDKC-CYBMUJFWSA-N 1 0 332.425 4.046 20 5 EIBDRO CSc1ccccc1[C@@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000501514918 1035459363 /nfs/dbraw/zinc/45/93/63/1035459363.db2.gz MAZWKLWBWJEINL-CYBMUJFWSA-N 1 0 332.425 4.046 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC000595014000 1035505944 /nfs/dbraw/zinc/50/59/44/1035505944.db2.gz KWWKWVNIQDJKQS-DIFFPNOSSA-N 1 0 330.359 4.081 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000595022603 1035510771 /nfs/dbraw/zinc/51/07/71/1035510771.db2.gz OCHUEWYHXRJTEZ-HUUCEWRRSA-N 1 0 348.443 4.136 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000595024716 1035514911 /nfs/dbraw/zinc/51/49/11/1035514911.db2.gz CXWGCGXABAZLIT-OLZOCXBDSA-N 1 0 332.375 4.463 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000595006949 1035530869 /nfs/dbraw/zinc/53/08/69/1035530869.db2.gz NFUXCCUEBHRBQO-ACJLOTCBSA-N 1 0 326.396 4.332 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000595040396 1035565297 /nfs/dbraw/zinc/56/52/97/1035565297.db2.gz VMMHMGQEAHOYTA-RYUDHWBXSA-N 1 0 328.359 4.080 20 5 EIBDRO CCO[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000595039156 1035565655 /nfs/dbraw/zinc/56/56/55/1035565655.db2.gz DEZKBKFVQNSMCX-AUUYWEPGSA-N 1 0 344.411 4.032 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000595039946 1035566096 /nfs/dbraw/zinc/56/60/96/1035566096.db2.gz IHTGIOADSNHSPT-ZWNOBZJWSA-N 1 0 334.338 4.231 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CCC(CSC)CC1 ZINC000595042220 1035566133 /nfs/dbraw/zinc/56/61/33/1035566133.db2.gz RBMVZODOUVGRNR-HSBZDZAISA-N 1 0 338.473 4.176 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000595046793 1035566985 /nfs/dbraw/zinc/56/69/85/1035566985.db2.gz RVICKDBSZXBUEX-CYBMUJFWSA-N 1 0 344.386 4.473 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000595097487 1035602875 /nfs/dbraw/zinc/60/28/75/1035602875.db2.gz IWTORJZZNKMJFA-KTAKPFMOSA-N 1 0 338.398 4.474 20 5 EIBDRO Cc1cc([C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C2CC2)ccc1F ZINC000595425938 1035677026 /nfs/dbraw/zinc/67/70/26/1035677026.db2.gz VNUWVZAAKAZFOT-GOSISDBHSA-N 1 0 332.350 4.422 20 5 EIBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000026720073 1035778706 /nfs/dbraw/zinc/77/87/06/1035778706.db2.gz SGEULDAPQZTFEO-AWEZNQCLSA-N 1 0 325.821 4.025 20 5 EIBDRO COc1ccc(C[NH2+][C@@]2(c3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000595911837 1035804012 /nfs/dbraw/zinc/80/40/12/1035804012.db2.gz ZJCKCPRUUJLDTL-LJQANCHMSA-N 1 0 326.396 4.018 20 5 EIBDRO CCc1ccc(C(C)(C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000237153177 1035955634 /nfs/dbraw/zinc/95/56/34/1035955634.db2.gz NHUFMTLUMZTMHG-UHFFFAOYSA-N 1 0 328.412 4.191 20 5 EIBDRO O=[N+]([O-])c1ccccc1CN(Cc1cc2ccncc2s1)C1CC1 ZINC000596979750 1036063616 /nfs/dbraw/zinc/06/36/16/1036063616.db2.gz NGZNSWAJVVZKES-UHFFFAOYSA-N 1 0 339.420 4.369 20 5 EIBDRO C[C@@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1cccc([N+](=O)[O-])c1 ZINC000593320761 1036177706 /nfs/dbraw/zinc/17/77/06/1036177706.db2.gz GABQBEDHUFQAHJ-PBHICJAKSA-N 1 0 325.412 4.062 20 5 EIBDRO C[C@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1cccc([N+](=O)[O-])c1 ZINC000593320763 1036180529 /nfs/dbraw/zinc/18/05/29/1036180529.db2.gz GABQBEDHUFQAHJ-WMLDXEAASA-N 1 0 325.412 4.062 20 5 EIBDRO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2C)ccc1[N+](=O)[O-] ZINC000485746961 1036237974 /nfs/dbraw/zinc/23/79/74/1036237974.db2.gz USYLFFHSUOJQSB-QGZVFWFLSA-N 1 0 326.396 4.249 20 5 EIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C)c1cccc(OC)c1 ZINC000485801834 1036282655 /nfs/dbraw/zinc/28/26/55/1036282655.db2.gz QVEQJJFLQQBWET-AWEZNQCLSA-N 1 0 344.411 4.195 20 5 EIBDRO Cc1c(C[NH2+][C@H](C)c2ccc3ncsc3c2)cccc1[N+](=O)[O-] ZINC000485831551 1036295479 /nfs/dbraw/zinc/29/54/79/1036295479.db2.gz HYSMOIPYSSRSSH-GFCCVEGCSA-N 1 0 327.409 4.364 20 5 EIBDRO COc1cc(C[NH2+][C@@H](c2ccc(F)cc2)C(C)C)ccc1[N+](=O)[O-] ZINC000502534994 1036307246 /nfs/dbraw/zinc/30/72/46/1036307246.db2.gz FISVPKYHCYLLFS-GOSISDBHSA-N 1 0 332.375 4.229 20 5 EIBDRO CCC1(CC)CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000485897839 1036351491 /nfs/dbraw/zinc/35/14/91/1036351491.db2.gz RHMPJYINVVCSAC-UHFFFAOYSA-N 1 0 344.415 4.047 20 5 EIBDRO C[C@H](CF)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000588930547 1036607552 /nfs/dbraw/zinc/60/75/52/1036607552.db2.gz MMEHVDDLYFOYJP-LLVKDONJSA-N 1 0 338.766 4.488 20 5 EIBDRO COc1cc(C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000588982433 1036632830 /nfs/dbraw/zinc/63/28/30/1036632830.db2.gz ATWGAJCNHRGGAP-BETUJISGSA-N 1 0 346.349 4.156 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602886118 1036659619 /nfs/dbraw/zinc/65/96/19/1036659619.db2.gz HBOVWDSAJKYDTE-GOEBONIOSA-N 1 0 348.406 4.089 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602888763 1036660819 /nfs/dbraw/zinc/66/08/19/1036660819.db2.gz RCUBUGXLDQZFBA-RHSMWYFYSA-N 1 0 348.406 4.089 20 5 EIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CC3 ZINC000486520234 1036756059 /nfs/dbraw/zinc/75/60/59/1036756059.db2.gz RQXOXTODUQIGAY-OAHLLOKOSA-N 1 0 335.407 4.032 20 5 EIBDRO CC[C@@H](C)[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000061002389 1036757319 /nfs/dbraw/zinc/75/73/19/1036757319.db2.gz WQXGITGMPZIVLT-CQSZACIVSA-N 1 0 344.411 4.071 20 5 EIBDRO CC[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000421854257 1036808418 /nfs/dbraw/zinc/80/84/18/1036808418.db2.gz KHUZAPWTVLZMDG-MISYRCLQSA-N 1 0 340.423 4.231 20 5 EIBDRO Cc1c(C[NH2+]Cc2ccsc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000598978947 1036839664 /nfs/dbraw/zinc/83/96/64/1036839664.db2.gz XYEVDQAKKNKRSP-UHFFFAOYSA-N 1 0 330.331 4.273 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2ccccc2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000599015471 1036850929 /nfs/dbraw/zinc/85/09/29/1036850929.db2.gz GBDAVAUUNLXQIP-UHFFFAOYSA-N 1 0 338.329 4.298 20 5 EIBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000486780496 1036851131 /nfs/dbraw/zinc/85/11/31/1036851131.db2.gz VMPZCYFKJDFLQR-CJNGLKHVSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@@H](c2ccccn2)C2CCC2)cccc1[N+](=O)[O-] ZINC000599068835 1036867853 /nfs/dbraw/zinc/86/78/53/1036867853.db2.gz QBQQWJSYJIOTNA-AUUYWEPGSA-N 1 0 325.412 4.490 20 5 EIBDRO Cc1ccc(CC2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)cc1 ZINC001168393819 1036871427 /nfs/dbraw/zinc/87/14/27/1036871427.db2.gz WHEYICAMWVTMQW-UHFFFAOYSA-N 1 0 342.414 4.497 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC(C4CC4)C3)o2)c(Cl)c1 ZINC000589736765 1036872414 /nfs/dbraw/zinc/87/24/14/1036872414.db2.gz KJIOBEWICNKHPW-UHFFFAOYSA-N 1 0 332.787 4.350 20 5 EIBDRO CSc1ccc([C@@H](CNc2ccsc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000590150804 1036992075 /nfs/dbraw/zinc/99/20/75/1036992075.db2.gz IGDHAQPMROXMFQ-CQSZACIVSA-N 1 0 337.470 4.093 20 5 EIBDRO Cc1c(C[N@H+](C)CCOc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000603843692 1037036088 /nfs/dbraw/zinc/03/60/88/1037036088.db2.gz UGFVTJVGRVSMJR-UHFFFAOYSA-N 1 0 334.803 4.067 20 5 EIBDRO Cc1ccccc1C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000603865338 1037062172 /nfs/dbraw/zinc/06/21/72/1037062172.db2.gz YVTMCZUQEAOHKR-UHFFFAOYSA-N 1 0 343.402 4.119 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC=C(c3c[nH]c4ccccc34)CC2)cc1 ZINC000603872027 1037066274 /nfs/dbraw/zinc/06/62/74/1037066274.db2.gz PXQCOLYGPUYGNR-UHFFFAOYSA-N 1 0 347.418 4.408 20 5 EIBDRO COc1ccc(C(C)(C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1F ZINC000599597442 1037088705 /nfs/dbraw/zinc/08/87/05/1037088705.db2.gz BAVGLGQCZJCQQZ-UHFFFAOYSA-N 1 0 332.375 4.076 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccsc1 ZINC000061361495 1037112656 /nfs/dbraw/zinc/11/26/56/1037112656.db2.gz GFYINGVBRMZNKN-VIFPVBQESA-N 1 0 341.230 4.270 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590599986 1037115122 /nfs/dbraw/zinc/11/51/22/1037115122.db2.gz INPBYQXFNFVGBK-HZPDHXFCSA-N 1 0 325.412 4.239 20 5 EIBDRO COc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000590712370 1037148603 /nfs/dbraw/zinc/14/86/03/1037148603.db2.gz VOLVDOLIODPEJY-UHFFFAOYSA-N 1 0 334.803 4.282 20 5 EIBDRO C[C@@H]([NH2+]Cc1c2ccccc2cc2ccccc21)c1nnc2n1CCC2 ZINC000272395058 1037177961 /nfs/dbraw/zinc/17/79/61/1037177961.db2.gz IBJFZFFNUSQNIU-OAHLLOKOSA-N 1 0 342.446 4.382 20 5 EIBDRO C[C@@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000591348042 1037390954 /nfs/dbraw/zinc/39/09/54/1037390954.db2.gz YBQYHSUYVFRNLX-LIRRHRJNSA-N 1 0 325.412 4.151 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)c1cccc([N+](=O)[O-])c1 ZINC000171415738 1037396511 /nfs/dbraw/zinc/39/65/11/1037396511.db2.gz GSTNNDHFRKIRNK-CYBMUJFWSA-N 1 0 326.396 4.159 20 5 EIBDRO COc1cc(C[NH2+][C@]2(c3ccc(Cl)cc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000503407024 1037742515 /nfs/dbraw/zinc/74/25/15/1037742515.db2.gz MVSXHOXZLWZRRN-KPZWWZAWSA-N 1 0 346.814 4.282 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1csc(C)c1 ZINC000592186200 1037775480 /nfs/dbraw/zinc/77/54/80/1037775480.db2.gz AQRWTQUUKXQCQL-MRXNPFEDSA-N 1 0 348.424 4.072 20 5 EIBDRO C[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(F)F ZINC000592372492 1037905556 /nfs/dbraw/zinc/90/55/56/1037905556.db2.gz AWWCKYJSARWYID-JTQLQIEISA-N 1 0 341.383 4.099 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1CCC(F)(F)CC1)C1CC1 ZINC000503954351 1038045135 /nfs/dbraw/zinc/04/51/35/1038045135.db2.gz VZAWCDFQUIUYBY-MRXNPFEDSA-N 1 0 338.398 4.331 20 5 EIBDRO Cc1ccnc([C@@H]2CC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000594004973 1038186059 /nfs/dbraw/zinc/18/60/59/1038186059.db2.gz REHVRUYTECAMTD-HZPDHXFCSA-N 1 0 325.412 4.157 20 5 EIBDRO Cc1c([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3)cccc1[N+](=O)[O-] ZINC000423447415 1038228374 /nfs/dbraw/zinc/22/83/74/1038228374.db2.gz OYDHOVIZCUQAGX-AWEZNQCLSA-N 1 0 325.412 4.112 20 5 EIBDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000490071491 1038332406 /nfs/dbraw/zinc/33/24/06/1038332406.db2.gz KFEITRCDBMQGGC-KRWDZBQOSA-N 1 0 334.803 4.068 20 5 EIBDRO CSc1ccc(F)cc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495522 1038347368 /nfs/dbraw/zinc/34/73/68/1038347368.db2.gz BATXTTVDTCORHM-HNNXBMFYSA-N 1 0 332.400 4.233 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCOC2CCCC2)c2ccccc2)c1 ZINC000490125868 1038351935 /nfs/dbraw/zinc/35/19/35/1038351935.db2.gz SAPJBGQAOGEHCA-FQEVSTJZSA-N 1 0 340.423 4.233 20 5 EIBDRO CC(C)(C)c1nc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cs1 ZINC000594503571 1038351978 /nfs/dbraw/zinc/35/19/78/1038351978.db2.gz YSRUOTRZHXKTHF-OAHLLOKOSA-N 1 0 345.468 4.168 20 5 EIBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H]1CC=CCC1 ZINC001168405436 1038388595 /nfs/dbraw/zinc/38/85/95/1038388595.db2.gz YPDAPHYACZQBQD-LBPRGKRZSA-N 1 0 328.334 4.402 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)C1CC1 ZINC000539062113 1038807645 /nfs/dbraw/zinc/80/76/45/1038807645.db2.gz SLRPHZRWJXGQPD-IIZPIQPGSA-N 1 0 348.446 4.091 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cc1ccncc1 ZINC000504912040 1038849399 /nfs/dbraw/zinc/84/93/99/1038849399.db2.gz PDKLMHVFVQFFMP-GDBMZVCRSA-N 1 0 345.468 4.081 20 5 EIBDRO CCc1nc(C)c([C@@H](C)N(C)Cc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000122039945 1038864256 /nfs/dbraw/zinc/86/42/56/1038864256.db2.gz VRKKRQYLGNOHGB-GFCCVEGCSA-N 1 0 349.456 4.124 20 5 EIBDRO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000192807712 1038870789 /nfs/dbraw/zinc/87/07/89/1038870789.db2.gz RCTLDHARQPURSU-STQMWFEESA-N 1 0 332.375 4.463 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000608837237 1038922409 /nfs/dbraw/zinc/92/24/09/1038922409.db2.gz LBCWFKMELSXJMC-UTCJRWHESA-N 1 0 326.371 4.416 20 5 EIBDRO C[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000608837840 1038922768 /nfs/dbraw/zinc/92/27/68/1038922768.db2.gz PDKZIFIRHLROSO-KBPBESRZSA-N 1 0 346.452 4.371 20 5 EIBDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000537619622 1038953345 /nfs/dbraw/zinc/95/33/45/1038953345.db2.gz HQHFWUWTEWNRTK-QWHCGFSZSA-N 1 0 331.441 4.339 20 5 EIBDRO C[C@@H]([NH2+]CCCCN(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000481023911 1038966028 /nfs/dbraw/zinc/96/60/28/1038966028.db2.gz NTGSFRPHRGOVPR-MRXNPFEDSA-N 1 0 327.428 4.162 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)COc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000481046853 1038982509 /nfs/dbraw/zinc/98/25/09/1038982509.db2.gz ZMPIXWKZVQQQPE-GXTWGEPZSA-N 1 0 332.375 4.160 20 5 EIBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000481171053 1039063438 /nfs/dbraw/zinc/06/34/38/1039063438.db2.gz PKGWXEJRIGAWRO-PBFPGSCMSA-N 1 0 329.400 4.164 20 5 EIBDRO CC(C)CC(C)(C)CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000552062206 1039083777 /nfs/dbraw/zinc/08/37/77/1039083777.db2.gz PKIDUZRQSLQBBS-QGZVFWFLSA-N 1 0 344.459 4.080 20 5 EIBDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000481172586 1039092690 /nfs/dbraw/zinc/09/26/90/1039092690.db2.gz ITNDVJWUGHXNTI-SUMWQHHRSA-N 1 0 329.400 4.308 20 5 EIBDRO CC[NH+](CC)CCN(Cc1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC000552224512 1039274102 /nfs/dbraw/zinc/27/41/02/1039274102.db2.gz GVTSNZANOYYMGH-UHFFFAOYSA-N 1 0 347.484 4.000 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000513824804 1039303870 /nfs/dbraw/zinc/30/38/70/1039303870.db2.gz QYKUGTZMGDRPGD-YTQUADARSA-N 1 0 346.471 4.101 20 5 EIBDRO CCCC[C@@H](CC)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000514094503 1039600330 /nfs/dbraw/zinc/60/03/30/1039600330.db2.gz NMSVTCFISCNSHA-QAPCUYQASA-N 1 0 344.459 4.224 20 5 EIBDRO CC[C@H](C)c1ccc([C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C(C)C)cc1 ZINC000476666396 1039830725 /nfs/dbraw/zinc/83/07/25/1039830725.db2.gz VSBATCSCUNJMII-KBXCAEBGSA-N 1 0 344.459 4.329 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000481817868 1039839624 /nfs/dbraw/zinc/83/96/24/1039839624.db2.gz TWBOOAGZNNGRDQ-GJZGRUSLSA-N 1 0 344.386 4.168 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCO2 ZINC000192640651 1039858254 /nfs/dbraw/zinc/85/82/54/1039858254.db2.gz MNIDTCZUZFABEX-YVEFUNNKSA-N 1 0 340.379 4.052 20 5 EIBDRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)N(C)C)cc1 ZINC000481964117 1039928769 /nfs/dbraw/zinc/92/87/69/1039928769.db2.gz ZPJVHIXDLRNKOX-OXJNMPFZSA-N 1 0 341.455 4.165 20 5 EIBDRO CC[NH+](CC)Cc1ccc(CNc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000514518465 1039965435 /nfs/dbraw/zinc/96/54/35/1039965435.db2.gz UDLWTFJUIDUPPQ-UHFFFAOYSA-N 1 0 331.391 4.188 20 5 EIBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc(OC(F)F)cc1 ZINC000505616025 1040100578 /nfs/dbraw/zinc/10/05/78/1040100578.db2.gz YCZSVZSTQWOKEL-GQCTYLIASA-N 1 0 348.349 4.341 20 5 EIBDRO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000467330880 1040255818 /nfs/dbraw/zinc/25/58/18/1040255818.db2.gz RLXPYGNAMBUDMR-ZWKOTPCHSA-N 1 0 339.439 4.157 20 5 EIBDRO C[C@@H]1CCC[C@@H]([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1C ZINC000162946870 1040285324 /nfs/dbraw/zinc/28/53/24/1040285324.db2.gz WIHGZEAPGGGTTJ-CKEIUWERSA-N 1 0 343.427 4.207 20 5 EIBDRO CC(C)[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000482641276 1040402954 /nfs/dbraw/zinc/40/29/54/1040402954.db2.gz KJPHVISLVBDNCE-BEFAXECRSA-N 1 0 327.428 4.382 20 5 EIBDRO Cc1ccc(C[NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)cc1[N+](=O)[O-] ZINC000435745093 1040599448 /nfs/dbraw/zinc/59/94/48/1040599448.db2.gz JJRIXVNQRZDINB-CZIWCDLHSA-N 1 0 332.350 4.217 20 5 EIBDRO C[C@H]([NH2+]CCC1(O)CCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000551813218 1040622689 /nfs/dbraw/zinc/62/26/89/1040622689.db2.gz DKBUOHVUPURMAW-ZDUSSCGKSA-N 1 0 346.452 4.279 20 5 EIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000435780571 1040628569 /nfs/dbraw/zinc/62/85/69/1040628569.db2.gz WPVIGJGNOCMERQ-CTYIDZIISA-N 1 0 348.349 4.232 20 5 EIBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCC(C)(C)C1 ZINC000483106995 1040701716 /nfs/dbraw/zinc/70/17/16/1040701716.db2.gz CHPKFQIFKUEBIJ-INIZCTEOSA-N 1 0 343.427 4.303 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2c3ccccc3CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000462542522 1040716539 /nfs/dbraw/zinc/71/65/39/1040716539.db2.gz MVHUKJGJTJQHPH-XOBRGWDASA-N 1 0 340.423 4.407 20 5 EIBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539828622 1040822487 /nfs/dbraw/zinc/82/24/87/1040822487.db2.gz FGJNXXVXICONTJ-KGLIPLIRSA-N 1 0 346.452 4.059 20 5 EIBDRO COC1CCC([N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000539839889 1040833745 /nfs/dbraw/zinc/83/37/45/1040833745.db2.gz CBCNOOFIJGQTCL-UHFFFAOYSA-N 1 0 344.411 4.244 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC000515552885 1040851416 /nfs/dbraw/zinc/85/14/16/1040851416.db2.gz QJTXHGWWUNBOCD-QGZVFWFLSA-N 1 0 330.359 4.080 20 5 EIBDRO Cc1ccc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)cc1[N+](=O)[O-] ZINC000462735067 1040877775 /nfs/dbraw/zinc/87/77/75/1040877775.db2.gz KJWSMKGLMSOHNK-UHFFFAOYSA-N 1 0 343.814 4.370 20 5 EIBDRO Cc1ccc(C[NH2+]C[C@H](C)Oc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000462737448 1040882990 /nfs/dbraw/zinc/88/29/90/1040882990.db2.gz WLDDNRVFHJLKBO-ZDUSSCGKSA-N 1 0 334.803 4.114 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](C)Oc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000483541416 1040887331 /nfs/dbraw/zinc/88/73/31/1040887331.db2.gz GOLKYLFRGUJYHK-TZMCWYRMSA-N 1 0 332.375 4.160 20 5 EIBDRO COCCC1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCC1 ZINC000122324157 1040903877 /nfs/dbraw/zinc/90/38/77/1040903877.db2.gz FVUXXEHLWOZDRM-GOSISDBHSA-N 1 0 346.471 4.102 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)Oc2ccccc2F)cc1[N+](=O)[O-] ZINC000483613413 1040911575 /nfs/dbraw/zinc/91/15/75/1040911575.db2.gz JDNZOJHVYAYUFZ-UONOGXRCSA-N 1 0 332.375 4.160 20 5 EIBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000537950586 1040915337 /nfs/dbraw/zinc/91/53/37/1040915337.db2.gz DULKCYIGGVHECC-GFCCVEGCSA-N 1 0 336.338 4.090 20 5 EIBDRO COc1cccc(C(C)(C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000537949923 1040916313 /nfs/dbraw/zinc/91/63/13/1040916313.db2.gz BJLCXFIFDXOIFD-CQSZACIVSA-N 1 0 328.412 4.232 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]C2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000537951878 1040919596 /nfs/dbraw/zinc/91/95/96/1040919596.db2.gz GWHVTUJCOGAHAB-NSHDSACASA-N 1 0 328.359 4.222 20 5 EIBDRO COc1cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)cc([N+](=O)[O-])c1 ZINC000903179370 1040944590 /nfs/dbraw/zinc/94/45/90/1040944590.db2.gz PKHTYPHVFRUMSL-FHSNZYRGSA-N 1 0 342.395 4.166 20 5 EIBDRO COc1cccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000537976652 1040948069 /nfs/dbraw/zinc/94/80/69/1040948069.db2.gz FHXBKIBZSNBHDQ-HUUCEWRRSA-N 1 0 328.412 4.194 20 5 EIBDRO COc1cccc([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000537987155 1040960277 /nfs/dbraw/zinc/96/02/77/1040960277.db2.gz MPNXQPSHIAFDHD-OAHLLOKOSA-N 1 0 328.412 4.277 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000436233856 1040999073 /nfs/dbraw/zinc/99/90/73/1040999073.db2.gz VCDRECJOCVZANA-NVXWUHKLSA-N 1 0 326.396 4.029 20 5 EIBDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000540066610 1041072398 /nfs/dbraw/zinc/07/23/98/1041072398.db2.gz MHYPWFDNAZFVSE-DNVCBOLYSA-N 1 0 344.411 4.148 20 5 EIBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000540055685 1041077943 /nfs/dbraw/zinc/07/79/43/1041077943.db2.gz KARZZHQZLLMPKP-ZFWWWQNUSA-N 1 0 329.400 4.055 20 5 EIBDRO COc1cccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)c1 ZINC000538127902 1041085118 /nfs/dbraw/zinc/08/51/18/1041085118.db2.gz AGGRAICRVGCIKS-CQSZACIVSA-N 1 0 344.411 4.241 20 5 EIBDRO C[C@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000436310526 1041097213 /nfs/dbraw/zinc/09/72/13/1041097213.db2.gz RMNMNECFZPGYJX-HNAYVOBHSA-N 1 0 331.460 4.043 20 5 EIBDRO C[C@@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000436310525 1041097788 /nfs/dbraw/zinc/09/77/88/1041097788.db2.gz RMNMNECFZPGYJX-DNVCBOLYSA-N 1 0 331.460 4.043 20 5 EIBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)C1CCCCC1 ZINC000462930342 1041109364 /nfs/dbraw/zinc/10/93/64/1041109364.db2.gz RPVFWCIGUUYDCA-GOSISDBHSA-N 1 0 342.443 4.065 20 5 EIBDRO COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000540118221 1041141844 /nfs/dbraw/zinc/14/18/44/1041141844.db2.gz QKEDKQXOVPQKCG-KSSFIOAISA-N 1 0 346.402 4.032 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000540148974 1041177156 /nfs/dbraw/zinc/17/71/56/1041177156.db2.gz FXEPHJHWTBFRMW-LXIYXOSZSA-N 1 0 332.375 4.161 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1nc2c(s1)CCCC2 ZINC000540154158 1041203196 /nfs/dbraw/zinc/20/31/96/1041203196.db2.gz WTVYYCCOFZSODK-ZDUSSCGKSA-N 1 0 345.468 4.132 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540164858 1041226658 /nfs/dbraw/zinc/22/66/58/1041226658.db2.gz OIZHLYJMEOMAFC-NJSLBKSFSA-N 1 0 346.402 4.469 20 5 EIBDRO Cc1c(CNCc2csc(-c3cccs3)n2)cccc1[N+](=O)[O-] ZINC000480445029 1041304229 /nfs/dbraw/zinc/30/42/29/1041304229.db2.gz NKYMHVGLHAIYJS-UHFFFAOYSA-N 1 0 345.449 4.378 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000480477942 1041318576 /nfs/dbraw/zinc/31/85/76/1041318576.db2.gz BYZYVOHJFAMBIM-QLBOMPFWSA-N 1 0 330.428 4.080 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000516089457 1041399335 /nfs/dbraw/zinc/39/93/35/1041399335.db2.gz XHVFHDRUABTSEJ-LIRRHRJNSA-N 1 0 348.406 4.119 20 5 EIBDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000538581196 1041433283 /nfs/dbraw/zinc/43/32/83/1041433283.db2.gz KJULLAAIIBAZFN-GUDVDZBRSA-N 1 0 346.471 4.099 20 5 EIBDRO Cc1noc(C[N@H+](CCc2ccccc2F)C2CCCC2)c1[N+](=O)[O-] ZINC000595297547 1041463382 /nfs/dbraw/zinc/46/33/82/1041463382.db2.gz VYZKKBNEXBWRPR-UHFFFAOYSA-N 1 0 347.390 4.018 20 5 EIBDRO Cc1nc(C)c([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000516340189 1041531968 /nfs/dbraw/zinc/53/19/68/1041531968.db2.gz LTWDYLYMBIVJMK-SNVBAGLBSA-N 1 0 344.440 4.043 20 5 EIBDRO CCC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000540590484 1041546659 /nfs/dbraw/zinc/54/66/59/1041546659.db2.gz MKBWBZYEHQOBOV-INIZCTEOSA-N 1 0 347.459 4.180 20 5 EIBDRO COc1cc(C[N@H+](Cc2ccccc2)C(C)C)c([N+](=O)[O-])cc1F ZINC000463481374 1041590237 /nfs/dbraw/zinc/59/02/37/1041590237.db2.gz CXOYFIPJTUEIQR-UHFFFAOYSA-N 1 0 332.375 4.153 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000540662083 1041591839 /nfs/dbraw/zinc/59/18/39/1041591839.db2.gz IQVAJCVGTPGBGO-CZUORRHYSA-N 1 0 345.830 4.178 20 5 EIBDRO Cc1c(C[NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000516500548 1041608390 /nfs/dbraw/zinc/60/83/90/1041608390.db2.gz YMHHUENBIGUDMA-HXPMCKFVSA-N 1 0 328.387 4.456 20 5 EIBDRO CC[C@H](C)[NH2+][C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)c1ccco1 ZINC000557695299 1041921365 /nfs/dbraw/zinc/92/13/65/1041921365.db2.gz VOSFQRMAQXZHAG-IINYFYTJSA-N 1 0 339.342 4.007 20 5 EIBDRO CCCOc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000517246274 1041922568 /nfs/dbraw/zinc/92/25/68/1041922568.db2.gz QGDAQLKYESMBGP-GOSISDBHSA-N 1 0 326.396 4.161 20 5 EIBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000090176536 1042058459 /nfs/dbraw/zinc/05/84/59/1042058459.db2.gz LIYZFUSEZBBZLJ-SCLBCKFNSA-N 1 0 332.375 4.081 20 5 EIBDRO C[C@@H]([NH2+]C1(CNc2ncccc2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000517577531 1042080653 /nfs/dbraw/zinc/08/06/53/1042080653.db2.gz AOMATYZKCMRZAO-OAHLLOKOSA-N 1 0 340.427 4.065 20 5 EIBDRO COC1CCC(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000541760595 1042095907 /nfs/dbraw/zinc/09/59/07/1042095907.db2.gz MLIKSWXRKPMEKN-UHFFFAOYSA-N 1 0 334.460 4.403 20 5 EIBDRO Cc1c(C[NH2+][C@H](C)c2ccccc2OC(F)F)cccc1[N+](=O)[O-] ZINC000271632348 1042107857 /nfs/dbraw/zinc/10/78/57/1042107857.db2.gz BMESAFHYHSOYFK-GFCCVEGCSA-N 1 0 336.338 4.355 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000090217392 1042184322 /nfs/dbraw/zinc/18/43/22/1042184322.db2.gz UYOXOCMREOKYSK-LSDHHAIUSA-N 1 0 327.428 4.381 20 5 EIBDRO C[C@@H]1C[C@H](C)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000443647015 1042215283 /nfs/dbraw/zinc/21/52/83/1042215283.db2.gz DCKFXUUDWJZZCP-HUUCEWRRSA-N 1 0 343.427 4.160 20 5 EIBDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1C)CCC2 ZINC000518011852 1042311890 /nfs/dbraw/zinc/31/18/90/1042311890.db2.gz VXTQDDXGXHAEFU-INIZCTEOSA-N 1 0 345.468 4.432 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)cc1 ZINC000518015251 1042314434 /nfs/dbraw/zinc/31/44/34/1042314434.db2.gz PIRLAZJMLIRGQG-OAHLLOKOSA-N 1 0 338.329 4.106 20 5 EIBDRO COc1cc(C)cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000193042648 1042384980 /nfs/dbraw/zinc/38/49/80/1042384980.db2.gz OFRQQMIMCYCSAS-IBGZPJMESA-N 1 0 326.396 4.079 20 5 EIBDRO CC(C)N(Cc1ccco1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000506415891 1042397316 /nfs/dbraw/zinc/39/73/16/1042397316.db2.gz KXOBVYWLWROHDX-UHFFFAOYSA-N 1 0 340.326 4.200 20 5 EIBDRO CCC[N@H+](C)Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000506442123 1042431161 /nfs/dbraw/zinc/43/11/61/1042431161.db2.gz BGSNPJZPEDRPBA-UHFFFAOYSA-N 1 0 344.411 4.024 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(COc2ccccc2)CC1 ZINC000491501609 1042459979 /nfs/dbraw/zinc/45/99/79/1042459979.db2.gz YXYRFJYYRQWWJY-MRXNPFEDSA-N 1 0 340.423 4.447 20 5 EIBDRO CC(C)Oc1cccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000492237414 1042585388 /nfs/dbraw/zinc/58/53/88/1042585388.db2.gz BJZWCEOTGZETJO-UHFFFAOYSA-N 1 0 328.412 4.407 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)cccc1[N+](=O)[O-] ZINC000426355196 1042589864 /nfs/dbraw/zinc/58/98/64/1042589864.db2.gz YOOSHYSHFIBKQR-LXIYXOSZSA-N 1 0 346.452 4.318 20 5 EIBDRO CC(C)c1nnc(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)s1 ZINC000492336337 1042612873 /nfs/dbraw/zinc/61/28/73/1042612873.db2.gz VPJRTFBVLVBGPM-UHFFFAOYSA-N 1 0 348.472 4.025 20 5 EIBDRO CC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1c(C)noc1C ZINC000193053010 1042697096 /nfs/dbraw/zinc/69/70/96/1042697096.db2.gz IKHRTTFKWWXAIC-IRXDYDNUSA-N 1 0 329.400 4.318 20 5 EIBDRO CCOc1cc(C[N@H+](C)[C@@H]2CC[C@H](SCC)C2)ccc1[N+](=O)[O-] ZINC000492776073 1042747147 /nfs/dbraw/zinc/74/71/47/1042747147.db2.gz TZRWPXUVUQTXML-CABCVRRESA-N 1 0 338.473 4.100 20 5 EIBDRO CCOc1cc(C[N@H+](CCC(F)(F)F)CC2CC2)ccc1[N+](=O)[O-] ZINC000492786922 1042749433 /nfs/dbraw/zinc/74/94/33/1042749433.db2.gz BUMOLZVSXKGMHT-UHFFFAOYSA-N 1 0 346.349 4.158 20 5 EIBDRO COc1cc(C[NH2+]C2(c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000492970644 1042782348 /nfs/dbraw/zinc/78/23/48/1042782348.db2.gz CNEVAGZBHOSYSU-UHFFFAOYSA-N 1 0 332.787 4.036 20 5 EIBDRO COc1ccc([C@@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000761507029 1042872528 /nfs/dbraw/zinc/87/25/28/1042872528.db2.gz RHGFMVUKJITZCJ-GFCCVEGCSA-N 1 0 334.803 4.450 20 5 EIBDRO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761521146 1042875121 /nfs/dbraw/zinc/87/51/21/1042875121.db2.gz JVDJOTBDGIGKAY-GFCCVEGCSA-N 1 0 334.803 4.416 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCC2CCOCC2)c2ccccc2)c1 ZINC000493277092 1042890994 /nfs/dbraw/zinc/89/09/94/1042890994.db2.gz OOWWECYWNLERNE-HXUWFJFHSA-N 1 0 340.423 4.091 20 5 EIBDRO CCOC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000473997331 1042913191 /nfs/dbraw/zinc/91/31/91/1042913191.db2.gz VMNLJRAWADULIP-QGZVFWFLSA-N 1 0 332.400 4.006 20 5 EIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000520597110 1042919514 /nfs/dbraw/zinc/91/95/14/1042919514.db2.gz VROFOJLMUOEYDY-QGZVFWFLSA-N 1 0 340.423 4.372 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](C)c2cc3cccc(F)c3o2)cc1[N+](=O)[O-] ZINC000473999262 1042941615 /nfs/dbraw/zinc/94/16/15/1042941615.db2.gz HPFJJMLLOMKCIA-NSHDSACASA-N 1 0 344.342 4.340 20 5 EIBDRO CCOc1cc(C[N@H+](C)Cc2cccc3[nH]ccc32)ccc1[N+](=O)[O-] ZINC000494076395 1043014760 /nfs/dbraw/zinc/01/47/60/1043014760.db2.gz AESDKRXHBNJNIK-UHFFFAOYSA-N 1 0 339.395 4.107 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000303567920 1043071404 /nfs/dbraw/zinc/07/14/04/1043071404.db2.gz XZUHXPLSCHPVFG-LJQANCHMSA-N 1 0 328.412 4.433 20 5 EIBDRO Cc1c(C[NH2+][C@H]2CCSc3c(F)cccc32)cccc1[N+](=O)[O-] ZINC000323079549 1043266333 /nfs/dbraw/zinc/26/63/33/1043266333.db2.gz SWGHJGWKZVNWKZ-HNNXBMFYSA-N 1 0 332.400 4.369 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCOc3ccccc32)cc1[N+](=O)[O-] ZINC000133536897 1043273077 /nfs/dbraw/zinc/27/30/77/1043273077.db2.gz OOTPPXBAGDFKSW-PBHICJAKSA-N 1 0 326.396 4.468 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000133736923 1043298550 /nfs/dbraw/zinc/29/85/50/1043298550.db2.gz BFJNXQXYZGNCHW-WBMJQRKESA-N 1 0 330.432 4.055 20 5 EIBDRO C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000338789940 1043324145 /nfs/dbraw/zinc/32/41/45/1043324145.db2.gz VRZMTIMMDNJYAE-YGTYGHESSA-N 1 0 332.444 4.156 20 5 EIBDRO CCOC[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000494228493 1043368248 /nfs/dbraw/zinc/36/82/48/1043368248.db2.gz WIXXFPCNAPRATG-NSHDSACASA-N 1 0 338.791 4.023 20 5 EIBDRO COc1cc(C[N@H+](C)C/C(C)=C/c2ccccc2)ccc1[N+](=O)[O-] ZINC000494232559 1043375189 /nfs/dbraw/zinc/37/51/89/1043375189.db2.gz BFWNFWDVADMZRA-RVDMUPIBSA-N 1 0 326.396 4.139 20 5 EIBDRO C[C@H]([N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)(C)C ZINC000609193921 1043443555 /nfs/dbraw/zinc/44/35/55/1043443555.db2.gz HGHHQVLTOUURNV-ZDUSSCGKSA-N 1 0 331.416 4.159 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](c2ccccc2)C2CCC2)cc1 ZINC000609195370 1043446292 /nfs/dbraw/zinc/44/62/92/1043446292.db2.gz BZPKZAJKKSENBA-IBGZPJMESA-N 1 0 326.396 4.105 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000609195376 1043447770 /nfs/dbraw/zinc/44/77/70/1043447770.db2.gz CMTHMPPCUFUSRV-IBGZPJMESA-N 1 0 328.387 4.407 20 5 EIBDRO CC(C)COCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000520954731 1043456790 /nfs/dbraw/zinc/45/67/90/1043456790.db2.gz HFGXJDYRZZKHFM-UHFFFAOYSA-N 1 0 348.468 4.476 20 5 EIBDRO Cc1nc(C)c([C@@H](C)[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])s1 ZINC000255417590 1043468668 /nfs/dbraw/zinc/46/86/68/1043468668.db2.gz LGNGVWOBHYHUGD-FNOHHLHBSA-N 1 0 331.441 4.374 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173317716 1043890016 /nfs/dbraw/zinc/89/00/16/1043890016.db2.gz PJRZTAMRKYNQFJ-CQSZACIVSA-N 1 0 341.411 4.162 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173453741 1043976952 /nfs/dbraw/zinc/97/69/52/1043976952.db2.gz SONGFASTMBKZIP-LSDHHAIUSA-N 1 0 336.395 4.192 20 5 EIBDRO CCC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000521831816 1044000106 /nfs/dbraw/zinc/00/01/06/1044000106.db2.gz OTBAFLSDFUUSDI-QGZVFWFLSA-N 1 0 328.412 4.104 20 5 EIBDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000521837061 1044029070 /nfs/dbraw/zinc/02/90/70/1044029070.db2.gz YDVMRXXLCTUAKC-KBPBESRZSA-N 1 0 348.390 4.377 20 5 EIBDRO CC(C)[C@H](c1ccccc1)[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000732979042 1044056966 /nfs/dbraw/zinc/05/69/66/1044056966.db2.gz CJGBZLZDCJTUPM-LJQANCHMSA-N 1 0 338.411 4.231 20 5 EIBDRO CC(C)([NH2+]Cc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000080346939 1044155032 /nfs/dbraw/zinc/15/50/32/1044155032.db2.gz KKAVVENLYKAALP-UHFFFAOYSA-N 1 0 349.228 4.382 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000245891821 1044205170 /nfs/dbraw/zinc/20/51/70/1044205170.db2.gz MIAMRJJHBPZMEL-PDSMFRHLSA-N 1 0 348.349 4.054 20 5 EIBDRO CC[C@@H]([NH2+]CCc1ccc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000542501303 1044242373 /nfs/dbraw/zinc/24/23/73/1044242373.db2.gz UVHWGGDGUKBRGM-OAHLLOKOSA-N 1 0 338.329 4.296 20 5 EIBDRO CCC[C@]1(C)CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000174453451 1044274076 /nfs/dbraw/zinc/27/40/76/1044274076.db2.gz MQCYOVOFYZZWJY-GOSISDBHSA-N 1 0 344.415 4.047 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000466343098 1044297216 /nfs/dbraw/zinc/29/72/16/1044297216.db2.gz IJHCVSOPAIYFTM-IPMKNSEASA-N 1 0 346.471 4.102 20 5 EIBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CS1 ZINC000754141656 1044329574 /nfs/dbraw/zinc/32/95/74/1044329574.db2.gz FMTZYENRRDEGIR-RISCZKNCSA-N 1 0 328.865 4.258 20 5 EIBDRO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000282639430 1044355184 /nfs/dbraw/zinc/35/51/84/1044355184.db2.gz BNFAJVNUGWIGRW-ZDUSSCGKSA-N 1 0 332.375 4.372 20 5 EIBDRO CCCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCC1 ZINC000542522305 1044488003 /nfs/dbraw/zinc/48/80/03/1044488003.db2.gz TVYQOUFSAYTTOY-WMLDXEAASA-N 1 0 347.459 4.179 20 5 EIBDRO CC(C)[N@H+](Cc1scnc1C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000495080432 1044650148 /nfs/dbraw/zinc/65/01/48/1044650148.db2.gz QLXWWTSXOPANFJ-UHFFFAOYSA-N 1 0 331.441 4.339 20 5 EIBDRO C[NH+](C)CC(C)(C)CNc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001168769727 1044734367 /nfs/dbraw/zinc/73/43/67/1044734367.db2.gz XQPIYZGXGROIDQ-UHFFFAOYSA-N 1 0 327.428 4.262 20 5 EIBDRO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000154474999 1044800313 /nfs/dbraw/zinc/80/03/13/1044800313.db2.gz IBAALQMSTPDHRP-UHFFFAOYSA-N 1 0 339.420 4.350 20 5 EIBDRO CCCOc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000922543992 1044811096 /nfs/dbraw/zinc/81/10/96/1044811096.db2.gz WCOGXMVZGWPTMV-CQSZACIVSA-N 1 0 344.411 4.243 20 5 EIBDRO Cc1csc([C@H](C)C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000193282655 1044863394 /nfs/dbraw/zinc/86/33/94/1044863394.db2.gz FVKDCGSQYNMKFS-BDJLRTHQSA-N 1 0 331.441 4.130 20 5 EIBDRO Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000555349759 1044891764 /nfs/dbraw/zinc/89/17/64/1044891764.db2.gz WFKZIQNSPBHTLL-HNNXBMFYSA-N 1 0 342.361 4.458 20 5 EIBDRO CC(C)(C)[C@H]([NH2+]Cn1ncc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000915044993 1044998345 /nfs/dbraw/zinc/99/83/45/1044998345.db2.gz NCRMYHRSXXUWES-GOSISDBHSA-N 1 0 338.411 4.279 20 5 EIBDRO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000738297792 1045056875 /nfs/dbraw/zinc/05/68/75/1045056875.db2.gz CMQSPOGCSVBJHJ-LJQANCHMSA-N 1 0 343.402 4.007 20 5 EIBDRO Cc1cc(NCc2cn3cccc(C)c3n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302073094 1045159285 /nfs/dbraw/zinc/15/92/85/1045159285.db2.gz HNTVDHJTEZNNJZ-UHFFFAOYSA-N 1 0 347.378 4.020 20 5 EIBDRO Cc1cc(N[C@@H]2CCc3c2cccc3O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302146155 1045163506 /nfs/dbraw/zinc/16/35/06/1045163506.db2.gz GOZZTCCQFRUYIG-MRXNPFEDSA-N 1 0 335.363 4.256 20 5 EIBDRO CCc1nc(CCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)cs1 ZINC000302192580 1045168395 /nfs/dbraw/zinc/16/83/95/1045168395.db2.gz RNDFXQQNMXRNIP-UHFFFAOYSA-N 1 0 342.424 4.125 20 5 EIBDRO Cc1nc(C)c([C@@H](C)[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000303286850 1045255624 /nfs/dbraw/zinc/25/56/24/1045255624.db2.gz KEQNJWJHVVIQRS-CYBMUJFWSA-N 1 0 349.456 4.130 20 5 EIBDRO Cc1nc(C)c([C@H](C)[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000303286851 1045256594 /nfs/dbraw/zinc/25/65/94/1045256594.db2.gz KEQNJWJHVVIQRS-ZDUSSCGKSA-N 1 0 349.456 4.130 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1csc(C)n1 ZINC000611248132 1045266384 /nfs/dbraw/zinc/26/63/84/1045266384.db2.gz BNHKVJXPPYSHLF-LBPRGKRZSA-N 1 0 337.470 4.020 20 5 EIBDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000611335833 1045282031 /nfs/dbraw/zinc/28/20/31/1045282031.db2.gz RUNIBBFEMVEHBF-DYVFJYSZSA-N 1 0 342.395 4.086 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCCCO1 ZINC000611471802 1045316068 /nfs/dbraw/zinc/31/60/68/1045316068.db2.gz NWNGHYAAIZVEMW-SUMWQHHRSA-N 1 0 346.452 4.371 20 5 EIBDRO C[C@@H]([NH2+]C1(CCOCc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000611477050 1045316299 /nfs/dbraw/zinc/31/62/99/1045316299.db2.gz SMHLLSYJGYTIML-MRXNPFEDSA-N 1 0 340.423 4.385 20 5 EIBDRO CCOC(=O)CC[C@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000611516769 1045321171 /nfs/dbraw/zinc/32/11/71/1045321171.db2.gz WDUSORJMHCZAKJ-HZPDHXFCSA-N 1 0 348.443 4.020 20 5 EIBDRO Cc1cc(NC[C@@H](c2cccs2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000301100740 1045505725 /nfs/dbraw/zinc/50/57/25/1045505725.db2.gz PAVCPQHKXDYTRX-INIZCTEOSA-N 1 0 331.441 4.214 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC000193902122 1045538393 /nfs/dbraw/zinc/53/83/93/1045538393.db2.gz QBHPMAYBGMJLBT-SCLBCKFNSA-N 1 0 326.396 4.332 20 5 EIBDRO COc1cc(C)c([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1C ZINC000790694541 1045561174 /nfs/dbraw/zinc/56/11/74/1045561174.db2.gz IRIUSVGHGPLPHJ-OAHLLOKOSA-N 1 0 328.412 4.379 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000790994591 1045649577 /nfs/dbraw/zinc/64/95/77/1045649577.db2.gz DFJDKFMMTYHLJT-HNNXBMFYSA-N 1 0 338.835 4.220 20 5 EIBDRO Cc1c(C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)cccc1[N+](=O)[O-] ZINC000791000495 1045651937 /nfs/dbraw/zinc/65/19/37/1045651937.db2.gz XMZDJJGQABSDCL-UHFFFAOYSA-N 1 0 340.423 4.297 20 5 EIBDRO COCC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000272637875 1045706205 /nfs/dbraw/zinc/70/62/05/1045706205.db2.gz NZMIQYYVSIZGJU-ZBFHGGJFSA-N 1 0 332.400 4.233 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)COc2ccccc2)cc1[N+](=O)[O-] ZINC000768100824 1045714557 /nfs/dbraw/zinc/71/45/57/1045714557.db2.gz ZATYMPIWTAVVOV-LSDHHAIUSA-N 1 0 344.411 4.112 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CCSC ZINC000768102942 1045715771 /nfs/dbraw/zinc/71/57/71/1045715771.db2.gz RMWXZVXNPZDTHX-CHWSQXEVSA-N 1 0 328.503 4.197 20 5 EIBDRO Cc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cnc1Cl ZINC000768336934 1045792945 /nfs/dbraw/zinc/79/29/45/1045792945.db2.gz CBQHFDAQNBGFQG-UHFFFAOYSA-N 1 0 333.819 4.362 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]C2CC(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170305603 1045984947 /nfs/dbraw/zinc/98/49/47/1045984947.db2.gz NTALJNJQVIUTPR-NNGSBXSVSA-N 1 0 340.423 4.070 20 5 EIBDRO CCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCC[C@H]1OC ZINC001170290675 1045993358 /nfs/dbraw/zinc/99/33/58/1045993358.db2.gz PHINEIJQELVRIV-QZTJIDSGSA-N 1 0 338.423 4.294 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC001170315278 1045995956 /nfs/dbraw/zinc/99/59/56/1045995956.db2.gz WKEIFNWOCOHWPQ-FZKQIMNGSA-N 1 0 346.402 4.414 20 5 EIBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170327155 1045998851 /nfs/dbraw/zinc/99/88/51/1045998851.db2.gz FFELGILYTVCCJR-CRAIPNDOSA-N 1 0 340.423 4.024 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(C)c(F)c2)c([N+](=O)[O-])c1 ZINC001170326800 1045999033 /nfs/dbraw/zinc/99/90/33/1045999033.db2.gz NNIGQPZFKDDSKB-KBPBESRZSA-N 1 0 346.402 4.333 20 5 EIBDRO COc1ccc(C[C@@H](C)[N@H+](C)CCc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001170348557 1046024408 /nfs/dbraw/zinc/02/44/08/1046024408.db2.gz YKJHQOUBTXTIHN-MRXNPFEDSA-N 1 0 342.439 4.017 20 5 EIBDRO C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@H](c1ccccc1)[NH+](C)C ZINC000769930535 1046114718 /nfs/dbraw/zinc/11/47/18/1046114718.db2.gz LDXZCTXEBQBGAP-FZKQIMNGSA-N 1 0 347.846 4.029 20 5 EIBDRO Cc1c(C[NH+]2CCC(OC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000125452234 1046307752 /nfs/dbraw/zinc/30/77/52/1046307752.db2.gz NRWVCIDERNWTSU-UHFFFAOYSA-N 1 0 332.444 4.217 20 5 EIBDRO CCC[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1cccc([N+](=O)[O-])c1 ZINC000130468211 1046343319 /nfs/dbraw/zinc/34/33/19/1046343319.db2.gz MAAIQCLATKKPKC-MSOLQXFVSA-N 1 0 326.396 4.419 20 5 EIBDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC001170027841 1046440438 /nfs/dbraw/zinc/44/04/38/1046440438.db2.gz VJNSWEVDAOADFG-LJQANCHMSA-N 1 0 328.412 4.229 20 5 EIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)CC1(O)CCCC1 ZINC000536667714 1046620344 /nfs/dbraw/zinc/62/03/44/1046620344.db2.gz MRGGKUJDGQGBCX-UHFFFAOYSA-N 1 0 346.452 4.060 20 5 EIBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000536659980 1046628975 /nfs/dbraw/zinc/62/89/75/1046628975.db2.gz QNQDMKRBRJGWBH-WBVHZDCISA-N 1 0 333.476 4.023 20 5 EIBDRO C[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000785570749 1046723008 /nfs/dbraw/zinc/72/30/08/1046723008.db2.gz TYAWQJHBBMRRDI-HZPDHXFCSA-N 1 0 331.460 4.122 20 5 EIBDRO C[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000785570745 1046724057 /nfs/dbraw/zinc/72/40/57/1046724057.db2.gz TYAWQJHBBMRRDI-CVEARBPZSA-N 1 0 331.460 4.122 20 5 EIBDRO C[C@H]1CCCC[C@]1(C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000459604174 1046805802 /nfs/dbraw/zinc/80/58/02/1046805802.db2.gz BLQSOHIQPXJCSY-LIRRHRJNSA-N 1 0 343.427 4.351 20 5 EIBDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000536838004 1046813282 /nfs/dbraw/zinc/81/32/82/1046813282.db2.gz IGTWQPJAUOORHK-GFCCVEGCSA-N 1 0 332.350 4.255 20 5 EIBDRO COc1cc(C)cc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000536839774 1046813966 /nfs/dbraw/zinc/81/39/66/1046813966.db2.gz QANUFXFSXSGGRM-LJQANCHMSA-N 1 0 340.423 4.023 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(OC(F)F)c1 ZINC000536863582 1046829748 /nfs/dbraw/zinc/82/97/48/1046829748.db2.gz MBLDRTAANCPEPV-LBPRGKRZSA-N 1 0 336.338 4.355 20 5 EIBDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000459640562 1046830340 /nfs/dbraw/zinc/83/03/40/1046830340.db2.gz LPCKUIXEPWORGX-CYBMUJFWSA-N 1 0 333.819 4.144 20 5 EIBDRO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000536874622 1046837705 /nfs/dbraw/zinc/83/77/05/1046837705.db2.gz DEFHJUONVLJRFX-LBPRGKRZSA-N 1 0 334.803 4.498 20 5 EIBDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000536875220 1046837813 /nfs/dbraw/zinc/83/78/13/1046837813.db2.gz GIUPBQGQKLLOIF-QLFBSQMISA-N 1 0 328.412 4.446 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(C(F)F)CC1 ZINC000459720035 1046864534 /nfs/dbraw/zinc/86/45/34/1046864534.db2.gz WPJKSHTUYZYMOH-GRTSSRMGSA-N 1 0 326.387 4.329 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C[C@H](O)c1cccs1 ZINC000786821137 1046875383 /nfs/dbraw/zinc/87/53/83/1046875383.db2.gz OPEBLNHQPDOULW-QGRJPZFESA-N 1 0 346.452 4.161 20 5 EIBDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000917481991 1046901448 /nfs/dbraw/zinc/90/14/48/1046901448.db2.gz ASGLGRDEMFZTMG-IBGZPJMESA-N 1 0 336.395 4.048 20 5 EIBDRO CC(C)(C)[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000154491195 1047079536 /nfs/dbraw/zinc/07/95/36/1047079536.db2.gz BMARVUHXPOXGKD-ROUUACIJSA-N 1 0 328.412 4.005 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806148325 1047173928 /nfs/dbraw/zinc/17/39/28/1047173928.db2.gz SQEKQMHWSZVIDC-INIZCTEOSA-N 1 0 345.830 4.243 20 5 EIBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)c1ccccc1 ZINC000788535094 1047231094 /nfs/dbraw/zinc/23/10/94/1047231094.db2.gz CDPOMXUZQLMFBL-ROUUACIJSA-N 1 0 348.830 4.096 20 5 EIBDRO CC(C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](O)c1ccccc1 ZINC000788535815 1047231619 /nfs/dbraw/zinc/23/16/19/1047231619.db2.gz MRSXJCOQAPIBLG-ZWKOTPCHSA-N 1 0 348.830 4.096 20 5 EIBDRO CC1(C)C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2cc([N+](=O)[O-])ccc21 ZINC000788592925 1047241304 /nfs/dbraw/zinc/24/13/04/1047241304.db2.gz UJCOLMCLFAWNLU-INIZCTEOSA-N 1 0 341.367 4.015 20 5 EIBDRO Cc1c2cc(F)ccc2oc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788640391 1047257017 /nfs/dbraw/zinc/25/70/17/1047257017.db2.gz AETPGNKMKTWPKH-LLVKDONJSA-N 1 0 343.358 4.222 20 5 EIBDRO CC[NH+](CC)Cc1cccc(N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788705630 1047271894 /nfs/dbraw/zinc/27/18/94/1047271894.db2.gz UAPYFYOJAAUWPS-CQSZACIVSA-N 1 0 342.443 4.192 20 5 EIBDRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000788817560 1047317023 /nfs/dbraw/zinc/31/70/23/1047317023.db2.gz ZNLXAHUCVSYFID-FVQBIDKESA-N 1 0 325.412 4.082 20 5 EIBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000537468150 1047398595 /nfs/dbraw/zinc/39/85/95/1047398595.db2.gz WIPBWVSECHRJGX-GOSISDBHSA-N 1 0 332.444 4.109 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556057307 1047420462 /nfs/dbraw/zinc/42/04/62/1047420462.db2.gz BDCLPSJVDWJVSO-CVAIRZPRSA-N 1 0 339.439 4.081 20 5 EIBDRO CCc1cccnc1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000537491126 1047572367 /nfs/dbraw/zinc/57/23/67/1047572367.db2.gz KVTAMDDFNQLQJE-UHFFFAOYSA-N 1 0 340.408 4.288 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1cnn(CC2CCC2)c1 ZINC000898178350 1047574303 /nfs/dbraw/zinc/57/43/03/1047574303.db2.gz BCUATICCHPEYNT-LBPRGKRZSA-N 1 0 348.834 4.096 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(O)c1 ZINC000105461283 1047632279 /nfs/dbraw/zinc/63/22/79/1047632279.db2.gz KJCHIYZHGFLBRY-CYBMUJFWSA-N 1 0 338.363 4.411 20 5 EIBDRO CC(F)(F)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000824477176 1047872921 /nfs/dbraw/zinc/87/29/21/1047872921.db2.gz IGZBTIJSTXSYDH-UHFFFAOYSA-N 1 0 327.158 4.427 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@H](CC4CC4)C3)cs2)c1 ZINC000556958326 1048320207 /nfs/dbraw/zinc/32/02/07/1048320207.db2.gz CMJQNNFHBSACPW-CQSZACIVSA-N 1 0 343.452 4.340 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2nc3ccccc3s2)cc1Cl ZINC000809728103 1048476068 /nfs/dbraw/zinc/47/60/68/1048476068.db2.gz KRTBRJZBQAZBJN-UHFFFAOYSA-N 1 0 347.827 4.190 20 5 EIBDRO C[C@H]([NH2+][C@H](c1ccccc1)C1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815575641 1048518245 /nfs/dbraw/zinc/51/82/45/1048518245.db2.gz WWMWBBFFTGRABO-ORAYPTAESA-N 1 0 325.412 4.369 20 5 EIBDRO C[C@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627520 1048550548 /nfs/dbraw/zinc/55/05/48/1048550548.db2.gz CJCJGSWRTOUAMX-RYUDHWBXSA-N 1 0 327.375 4.043 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1c(F)cc(F)cc1F ZINC000815649326 1048574521 /nfs/dbraw/zinc/57/45/21/1048574521.db2.gz MHTHBVKJGFLSMR-LLVKDONJSA-N 1 0 338.329 4.123 20 5 EIBDRO COC1CCC([N@H+](C)Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809948158 1048577642 /nfs/dbraw/zinc/57/76/42/1048577642.db2.gz WHEXOANMSSWDBB-UHFFFAOYSA-N 1 0 347.242 4.291 20 5 EIBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCOC(C)(C)C1 ZINC000810043997 1048605655 /nfs/dbraw/zinc/60/56/55/1048605655.db2.gz VUWRPJFLGFVTQM-CQSZACIVSA-N 1 0 326.824 4.028 20 5 EIBDRO Cc1cc(N2CCC[C@]3(CC3(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000845740930 1048721268 /nfs/dbraw/zinc/72/12/68/1048721268.db2.gz CHGFPLQCRQGFPY-INIZCTEOSA-N 1 0 333.338 4.077 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000846030894 1048796913 /nfs/dbraw/zinc/79/69/13/1048796913.db2.gz FHAKLURZNAWRAG-UHOFOFEASA-N 1 0 328.815 4.210 20 5 EIBDRO COc1ccc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000609440370 1049071268 /nfs/dbraw/zinc/07/12/68/1049071268.db2.gz SQOBWJPCUWMPDI-UHFFFAOYSA-N 1 0 341.194 4.200 20 5 EIBDRO CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811485301 1049080891 /nfs/dbraw/zinc/08/08/91/1049080891.db2.gz DGNPTYFNYYQPIH-AWEZNQCLSA-N 1 0 349.258 4.034 20 5 EIBDRO Cc1cccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 ZINC000811473259 1049093610 /nfs/dbraw/zinc/09/36/10/1049093610.db2.gz TWTCGVNRQITPBK-UHFFFAOYSA-N 1 0 325.195 4.500 20 5 EIBDRO CC(C)c1ccc(C[NH2+]CCc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000609564506 1049153945 /nfs/dbraw/zinc/15/39/45/1049153945.db2.gz HNJJTAMTSPNOPG-UHFFFAOYSA-N 1 0 334.366 4.329 20 5 EIBDRO Cc1c(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000609672675 1049258770 /nfs/dbraw/zinc/25/87/70/1049258770.db2.gz XAWBDDCRGGARJW-UHFFFAOYSA-N 1 0 344.386 4.086 20 5 EIBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000195620137 1049311394 /nfs/dbraw/zinc/31/13/94/1049311394.db2.gz KEPAAWYDTARPBE-AWEZNQCLSA-N 1 0 330.432 4.065 20 5 EIBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000195620136 1049312061 /nfs/dbraw/zinc/31/20/61/1049312061.db2.gz KEPAAWYDTARPBE-CQSZACIVSA-N 1 0 330.432 4.065 20 5 EIBDRO COc1ccc(C[N@H+](C)[C@H](C)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000609915921 1049393673 /nfs/dbraw/zinc/39/36/73/1049393673.db2.gz WVUCLVRSFIOAMT-CYBMUJFWSA-N 1 0 348.830 4.320 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000348120470 1049429654 /nfs/dbraw/zinc/42/96/54/1049429654.db2.gz QYIWBHWRBFFGPN-QGZVFWFLSA-N 1 0 345.830 4.327 20 5 EIBDRO CCCC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000773034607 1049545539 /nfs/dbraw/zinc/54/55/39/1049545539.db2.gz DPJKZOGAAMABKF-UHFFFAOYSA-N 1 0 331.460 4.124 20 5 EIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812849774 1049610203 /nfs/dbraw/zinc/61/02/03/1049610203.db2.gz JEEYNBKZLMOOTF-SCLBCKFNSA-N 1 0 348.830 4.192 20 5 EIBDRO CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812849302 1049610909 /nfs/dbraw/zinc/61/09/09/1049610909.db2.gz NHJVYLGTGWDZDL-SCLBCKFNSA-N 1 0 348.830 4.192 20 5 EIBDRO CC(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000036819300 1049639571 /nfs/dbraw/zinc/63/95/71/1049639571.db2.gz WXROVTLLWPNFLC-UHFFFAOYSA-N 1 0 339.189 4.115 20 5 EIBDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000036999560 1049653006 /nfs/dbraw/zinc/65/30/06/1049653006.db2.gz BKDCFDSYZWSUIS-LBPRGKRZSA-N 1 0 349.228 4.078 20 5 EIBDRO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000179524968 1049659623 /nfs/dbraw/zinc/65/96/23/1049659623.db2.gz PJEKWWTUCISZCH-ZDUSSCGKSA-N 1 0 332.375 4.372 20 5 EIBDRO Cc1ccc(C[NH+](C)C)cc1N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000179990009 1049814294 /nfs/dbraw/zinc/81/42/94/1049814294.db2.gz YDQVNGGLLIZWSV-HNNXBMFYSA-N 1 0 327.428 4.446 20 5 EIBDRO O=C(CCC[NH2+]Cc1c2ccccc2cc2ccccc21)NC1CC1 ZINC000237994816 1049839229 /nfs/dbraw/zinc/83/92/29/1049839229.db2.gz ZQVADUJVKLETGH-UHFFFAOYSA-N 1 0 332.447 4.141 20 5 EIBDRO C[C@H]1CCC[C@H]([N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000170909073 1050105942 /nfs/dbraw/zinc/10/59/42/1050105942.db2.gz XVUNWWJJTOHDPM-HOCLYGCPSA-N 1 0 343.427 4.303 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cnc3ccccc3c1)CC2 ZINC001172899664 1050203254 /nfs/dbraw/zinc/20/32/54/1050203254.db2.gz ORJOLKYUEQNUNW-LJQANCHMSA-N 1 0 347.418 4.180 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1CCC(F)(F)CC1)CC2 ZINC001172898946 1050203914 /nfs/dbraw/zinc/20/39/14/1050203914.db2.gz JXEHPRLLRKQPKJ-INIZCTEOSA-N 1 0 338.398 4.257 20 5 EIBDRO Cc1c(F)cccc1C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901905 1050205443 /nfs/dbraw/zinc/20/54/43/1050205443.db2.gz RIGPIRAXJSGLNY-KRWDZBQOSA-N 1 0 328.387 4.080 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCCc1ccccc1F)CC2 ZINC001172900871 1050205592 /nfs/dbraw/zinc/20/55/92/1050205592.db2.gz GZLWWKVUQJDYIT-SFHVURJKSA-N 1 0 342.414 4.204 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)CC2 ZINC001172908107 1050207700 /nfs/dbraw/zinc/20/77/00/1050207700.db2.gz WVRDMJDVVVYJBQ-XJKSGUPXSA-N 1 0 338.398 4.257 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCCC3(CC(F)C3)CC1)CC2 ZINC001172921339 1050233187 /nfs/dbraw/zinc/23/31/87/1050233187.db2.gz OWSHEAMFUBEBDY-QPIRBTGLSA-N 1 0 346.446 4.446 20 5 EIBDRO C[N@H+](Cc1cccc(F)c1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910403 1050246247 /nfs/dbraw/zinc/24/62/47/1050246247.db2.gz ZBVHCXNHJQGQLF-SFHVURJKSA-N 1 0 328.387 4.113 20 5 EIBDRO Cc1c(F)ccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1F ZINC001172912732 1050246757 /nfs/dbraw/zinc/24/67/57/1050246757.db2.gz OXGTXUVYOYNDSI-INIZCTEOSA-N 1 0 346.377 4.219 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cccc3ccncc31)CC2 ZINC001172913044 1050248637 /nfs/dbraw/zinc/24/86/37/1050248637.db2.gz SSPDSXIQKIWWMZ-LJQANCHMSA-N 1 0 347.418 4.180 20 5 EIBDRO CC(=O)c1ccc(NC(C)(C)CC[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC001186174630 1050263905 /nfs/dbraw/zinc/26/39/05/1050263905.db2.gz FZEOPPXDVZWDFK-UHFFFAOYSA-N 1 0 347.459 4.254 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CCC(C)(C)CC2)c1F ZINC001173184489 1050337769 /nfs/dbraw/zinc/33/77/69/1050337769.db2.gz QPONQDPIBVPFEV-GFCCVEGCSA-N 1 0 338.423 4.232 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C(C)(C)CC(C)(C)C)c1F ZINC001173190195 1050337941 /nfs/dbraw/zinc/33/79/41/1050337941.db2.gz VMOAHHSXGKZJDS-LBPRGKRZSA-N 1 0 340.439 4.478 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@H]2c2ccccc2)c1F ZINC001173196512 1050340039 /nfs/dbraw/zinc/34/00/39/1050340039.db2.gz NEFRFKAKRQPRGC-BBRMVZONSA-N 1 0 344.386 4.121 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1c(F)ccc(Cl)c1F ZINC001173215649 1050350868 /nfs/dbraw/zinc/35/08/68/1050350868.db2.gz XQYQRVLGQUPMNN-JTQLQIEISA-N 1 0 340.757 4.247 20 5 EIBDRO COc1cccc([C@H]([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC001173218550 1050352367 /nfs/dbraw/zinc/35/23/67/1050352367.db2.gz BTEQNFCUOYRTQD-VBKZILBWSA-N 1 0 340.423 4.275 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c(F)c1F ZINC001173219505 1050352907 /nfs/dbraw/zinc/35/29/07/1050352907.db2.gz CPOGLXMMOBHNAY-STQMWFEESA-N 1 0 334.366 4.463 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1cncc(Cl)c1)C1CC1 ZINC001173223459 1050354304 /nfs/dbraw/zinc/35/43/04/1050354304.db2.gz IREIIORAQUNKRJ-KZULUSFZSA-N 1 0 345.830 4.315 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCc2c(F)cccc21 ZINC001173223613 1050355293 /nfs/dbraw/zinc/35/52/93/1050355293.db2.gz JCWMFUXYRMEKFL-DJJJIMSYSA-N 1 0 328.387 4.332 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Oc2ccccc2)CC1 ZINC001173224884 1050356370 /nfs/dbraw/zinc/35/63/70/1050356370.db2.gz HPXWRCMLUJWDBX-MRXNPFEDSA-N 1 0 340.423 4.069 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(Cc2ccccc2F)CC1 ZINC001173230049 1050357736 /nfs/dbraw/zinc/35/77/36/1050357736.db2.gz QANLQJDYMVRMEY-AWEZNQCLSA-N 1 0 328.387 4.030 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1ccc(Cl)cn1)C1CC1 ZINC001173228203 1050357769 /nfs/dbraw/zinc/35/77/69/1050357769.db2.gz IDZPINIYMHFZSB-KPZWWZAWSA-N 1 0 345.830 4.315 20 5 EIBDRO CCO[C@@H](CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)C1CCCC1 ZINC001177972718 1050357748 /nfs/dbraw/zinc/35/77/48/1050357748.db2.gz VJKBVUWBZUGRGW-IBGZPJMESA-N 1 0 334.460 4.287 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001173231748 1050358852 /nfs/dbraw/zinc/35/88/52/1050358852.db2.gz CWUNUTPISLMGRX-WMLDXEAASA-N 1 0 328.387 4.154 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2cccc(Cl)c2C1 ZINC001173231490 1050359004 /nfs/dbraw/zinc/35/90/04/1050359004.db2.gz LNKWWTMHWIJZFY-ZDUSSCGKSA-N 1 0 330.815 4.238 20 5 EIBDRO C[NH2+]CCc1cn([C@H](C)Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC001173230993 1050360622 /nfs/dbraw/zinc/36/06/22/1050360622.db2.gz IAONOHNQJYJJCV-OAHLLOKOSA-N 1 0 337.423 4.115 20 5 EIBDRO CC[N@H+](CCc1ccc(OC)cc1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233813 1050363502 /nfs/dbraw/zinc/36/35/02/1050363502.db2.gz ZAADQRUIEKWJSL-MRXNPFEDSA-N 1 0 342.439 4.099 20 5 EIBDRO CCC[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000618568182 1050418462 /nfs/dbraw/zinc/41/84/62/1050418462.db2.gz SYHCKTLOMDSUIW-PKOBYXMFSA-N 1 0 325.412 4.498 20 5 EIBDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC001178524288 1050491233 /nfs/dbraw/zinc/49/12/33/1050491233.db2.gz HVVIXNBDZHLNKN-SFHVURJKSA-N 1 0 348.446 4.313 20 5 EIBDRO C[C@H](Cc1cccs1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000618798261 1050529921 /nfs/dbraw/zinc/52/99/21/1050529921.db2.gz HZTFYLWPIQPGRD-SNVBAGLBSA-N 1 0 344.358 4.396 20 5 EIBDRO C[C@H](Cc1ccsc1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000618798243 1050530698 /nfs/dbraw/zinc/53/06/98/1050530698.db2.gz FFXAYJCCIOUGET-SNVBAGLBSA-N 1 0 344.358 4.396 20 5 EIBDRO Cc1ccc(C[N@@H+]2CC[C@H](Nc3ccc(Cl)cc3[N+](=O)[O-])C2)cc1 ZINC001187393400 1050540213 /nfs/dbraw/zinc/54/02/13/1050540213.db2.gz YRRZWYLLTJJUPY-INIZCTEOSA-N 1 0 345.830 4.243 20 5 EIBDRO CCC[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC001178954925 1050597570 /nfs/dbraw/zinc/59/75/70/1050597570.db2.gz WUJOHBRZDPIPHO-ZIAGYGMSSA-N 1 0 336.432 4.005 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3C[C@H]3C3CCC3)o2)c([N+](=O)[O-])c1 ZINC001178998655 1050608536 /nfs/dbraw/zinc/60/85/36/1050608536.db2.gz PNJUITRYDPIIRV-DLBZAZTESA-N 1 0 342.395 4.142 20 5 EIBDRO CCO[C@@H]1C[C@H]([N@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC001180132862 1050880519 /nfs/dbraw/zinc/88/05/19/1050880519.db2.gz NROXLBCEIQWAHL-YOYDVCCWSA-N 1 0 344.455 4.278 20 5 EIBDRO CCc1ccc2c(c1)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)CCO2 ZINC001180646775 1051057296 /nfs/dbraw/zinc/05/72/96/1051057296.db2.gz QJEPPBMUAYRXEI-MRXNPFEDSA-N 1 0 346.814 4.424 20 5 EIBDRO CSc1ccccc1C[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001180858692 1051094912 /nfs/dbraw/zinc/09/49/12/1051094912.db2.gz SKXFVEZFAXPZNI-CYBMUJFWSA-N 1 0 330.453 4.346 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCCC34CCCCC4)nc2c1 ZINC001181267895 1051196286 /nfs/dbraw/zinc/19/62/86/1051196286.db2.gz VMJWLVPKERCWQU-MRXNPFEDSA-N 1 0 328.416 4.064 20 5 EIBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)cc1 ZINC001190628462 1051238561 /nfs/dbraw/zinc/23/85/61/1051238561.db2.gz ZFBQLVCQWKVSDW-UHFFFAOYSA-N 1 0 334.803 4.149 20 5 EIBDRO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC001181524512 1051244988 /nfs/dbraw/zinc/24/49/88/1051244988.db2.gz BOJVDGYSRZHDJC-SFHVURJKSA-N 1 0 342.443 4.360 20 5 EIBDRO CCC(CC)CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001174947342 1051269792 /nfs/dbraw/zinc/26/97/92/1051269792.db2.gz AUZVSLOLWDESLB-AWEZNQCLSA-N 1 0 335.448 4.070 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000775422600 1051309409 /nfs/dbraw/zinc/30/94/09/1051309409.db2.gz XVZIMRCFMATFNU-KBXCAEBGSA-N 1 0 346.814 4.116 20 5 EIBDRO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000183710940 1051309703 /nfs/dbraw/zinc/30/97/03/1051309703.db2.gz BBDHNQQGUUCTSM-AWEZNQCLSA-N 1 0 337.379 4.443 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001181858917 1051329776 /nfs/dbraw/zinc/32/97/76/1051329776.db2.gz FBPHWXBQHRENPN-TXEJJXNPSA-N 1 0 328.334 4.236 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCCC[C@@H]1CC(C)C ZINC001191112788 1051353764 /nfs/dbraw/zinc/35/37/64/1051353764.db2.gz PYTCUEPGDVMXBM-MRXNPFEDSA-N 1 0 347.459 4.132 20 5 EIBDRO C[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H](c2ccco2)C1 ZINC001191212862 1051387704 /nfs/dbraw/zinc/38/77/04/1051387704.db2.gz DAAMLNLHMNCYKF-QAPCUYQASA-N 1 0 344.411 4.430 20 5 EIBDRO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001182182850 1051412913 /nfs/dbraw/zinc/41/29/13/1051412913.db2.gz FTUVYVUGUJIMKH-STQMWFEESA-N 1 0 331.416 4.383 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(Cc3cccc(Cl)c3)CC2)c(F)c1 ZINC001182251092 1051442330 /nfs/dbraw/zinc/44/23/30/1051442330.db2.gz MBCGMNIHMWEEQP-UHFFFAOYSA-N 1 0 348.805 4.500 20 5 EIBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCC[C@H](C)C1 ZINC001182387752 1051538079 /nfs/dbraw/zinc/53/80/79/1051538079.db2.gz LYAPUAAUANBKNF-YESZJQIVSA-N 1 0 345.487 4.368 20 5 EIBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCC[C@@H](C)C1 ZINC001182387749 1051538400 /nfs/dbraw/zinc/53/84/00/1051538400.db2.gz LYAPUAAUANBKNF-IKGGRYGDSA-N 1 0 345.487 4.368 20 5 EIBDRO C[NH+](C)CCn1cc(Nc2c3ccccc3cc3ccccc32)cn1 ZINC001175352754 1051545360 /nfs/dbraw/zinc/54/53/60/1051545360.db2.gz OVBLUUUZLOCYHD-UHFFFAOYSA-N 1 0 330.435 4.495 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCCc1ccco1 ZINC001183075718 1051773859 /nfs/dbraw/zinc/77/38/59/1051773859.db2.gz YJKNDEXMCLXUDG-MAUKXSAKSA-N 1 0 328.412 4.121 20 5 EIBDRO C[C@H]([NH2+]CCOc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC001192672044 1051787096 /nfs/dbraw/zinc/78/70/96/1051787096.db2.gz DQGPTZFEXLDHJI-NSHDSACASA-N 1 0 338.766 4.117 20 5 EIBDRO C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001183652849 1051877673 /nfs/dbraw/zinc/87/76/73/1051877673.db2.gz WFLVSQLIOLTXRY-KGLIPLIRSA-N 1 0 338.411 4.143 20 5 EIBDRO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001183788648 1051899537 /nfs/dbraw/zinc/89/95/37/1051899537.db2.gz MYXAMZXYODMCFZ-TWOQFEAHSA-N 1 0 345.487 4.289 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)cc1Cl ZINC001184238695 1051976897 /nfs/dbraw/zinc/97/68/97/1051976897.db2.gz DXUGRXXIPPSQJI-CQSZACIVSA-N 1 0 337.206 4.159 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC001184264505 1051981114 /nfs/dbraw/zinc/98/11/14/1051981114.db2.gz DPKHMSBLYXLXBW-IHWMJMDHSA-N 1 0 343.452 4.019 20 5 EIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)cs1 ZINC000184466784 1051993072 /nfs/dbraw/zinc/99/30/72/1051993072.db2.gz FHKWPDYCTYSENA-GFCCVEGCSA-N 1 0 333.457 4.242 20 5 EIBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1OC ZINC001176304567 1052008651 /nfs/dbraw/zinc/00/86/51/1052008651.db2.gz FWRBVBOEJSBELX-QGZVFWFLSA-N 1 0 332.375 4.026 20 5 EIBDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001194166344 1052093199 /nfs/dbraw/zinc/09/31/99/1052093199.db2.gz YUCWNUKEGBXROE-QWRGUYRKSA-N 1 0 341.249 4.272 20 5 EIBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C12CCCC2 ZINC001194177910 1052095638 /nfs/dbraw/zinc/09/56/38/1052095638.db2.gz ZYUFQGMPOIUVHN-JKSUJKDBSA-N 1 0 338.835 4.076 20 5 EIBDRO CCC(CC)[C@H](CNc1cc(OC)c([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC001184740618 1052097697 /nfs/dbraw/zinc/09/76/97/1052097697.db2.gz SOXNGMLEXDJMNO-HNNXBMFYSA-N 1 0 343.855 4.035 20 5 EIBDRO C[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001184839437 1052114251 /nfs/dbraw/zinc/11/42/51/1052114251.db2.gz IXXDHQLMLKPSLI-NEPJUHHUSA-N 1 0 345.365 4.146 20 5 EIBDRO C[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001184839438 1052115064 /nfs/dbraw/zinc/11/50/64/1052115064.db2.gz IXXDHQLMLKPSLI-NWDGAFQWSA-N 1 0 345.365 4.146 20 5 EIBDRO C[C@@H]1CCC[N@H+](CCCCNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001184873256 1052123111 /nfs/dbraw/zinc/12/31/11/1052123111.db2.gz ADTUECQYGFHFRV-OAHLLOKOSA-N 1 0 342.443 4.067 20 5 EIBDRO CCC(=O)c1ccc(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001184983515 1052140261 /nfs/dbraw/zinc/14/02/61/1052140261.db2.gz TYSWDXMKEQPGKF-LIRRHRJNSA-N 1 0 347.459 4.110 20 5 EIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001185037856 1052158590 /nfs/dbraw/zinc/15/85/90/1052158590.db2.gz XMSQSYFEEQPQTM-XJKSGUPXSA-N 1 0 345.830 4.496 20 5 EIBDRO CCC[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC001176776775 1052189809 /nfs/dbraw/zinc/18/98/09/1052189809.db2.gz APJKDORKABDRFG-LBPRGKRZSA-N 1 0 327.222 4.122 20 5 EIBDRO C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccccc1 ZINC001168528772 1052639653 /nfs/dbraw/zinc/63/96/53/1052639653.db2.gz GRBKWCAUJQMQPW-JKSUJKDBSA-N 1 0 328.412 4.146 20 5 EIBDRO C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083133429 1052832185 /nfs/dbraw/zinc/83/21/85/1052832185.db2.gz QEERRBPVAWPEKG-JTQLQIEISA-N 1 0 347.321 4.207 20 5 EIBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 ZINC000112515504 1053026780 /nfs/dbraw/zinc/02/67/80/1053026780.db2.gz XGDIUQWUUWUQEQ-XOBRGWDASA-N 1 0 336.391 4.132 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H]2COc2ccccc2)c1 ZINC001194682477 1053071016 /nfs/dbraw/zinc/07/10/16/1053071016.db2.gz CCUBDQKLDDZSPD-INIZCTEOSA-N 1 0 346.814 4.292 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3COC4(CCC4)C3)s2)cc1 ZINC000850367292 1053139425 /nfs/dbraw/zinc/13/94/25/1053139425.db2.gz CHRTWLUIMPNJQH-CQSZACIVSA-N 1 0 344.436 4.125 20 5 EIBDRO CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764807117 1053320918 /nfs/dbraw/zinc/32/09/18/1053320918.db2.gz ANKCLQCVHXQYIS-DNVCBOLYSA-N 1 0 331.460 4.122 20 5 EIBDRO CCOc1cc(C[NH2+]C(C)(C)Cc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC001195280698 1053358066 /nfs/dbraw/zinc/35/80/66/1053358066.db2.gz XAXBCESYJVAFLX-UHFFFAOYSA-N 1 0 342.439 4.413 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)[C@H](O)c1ccccc1 ZINC000794830226 1053441878 /nfs/dbraw/zinc/44/18/78/1053441878.db2.gz IMYDNQGCBSYBBH-UIAACRFSSA-N 1 0 342.439 4.456 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@@H](O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000765274021 1053485087 /nfs/dbraw/zinc/48/50/87/1053485087.db2.gz WZZGDHGGCZEXIE-RTBURBONSA-N 1 0 328.412 4.068 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@@H](c2ccccn2)C1 ZINC000852087648 1053550019 /nfs/dbraw/zinc/55/00/19/1053550019.db2.gz OXBJRJJAEVSOKF-CYBMUJFWSA-N 1 0 331.803 4.023 20 5 EIBDRO CCCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccc(C)o1 ZINC000776579608 1053564190 /nfs/dbraw/zinc/56/41/90/1053564190.db2.gz NZKHNCYLYJXMTK-YJBOKZPZSA-N 1 0 346.427 4.393 20 5 EIBDRO CC(C)(C)[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000776588436 1053575363 /nfs/dbraw/zinc/57/53/63/1053575363.db2.gz VGGMUYSKZYDHAC-ROUUACIJSA-N 1 0 346.402 4.144 20 5 EIBDRO Cc1ccccc1[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000776606540 1053593797 /nfs/dbraw/zinc/59/37/97/1053593797.db2.gz XYCPYACVQTWVLB-OALUTQOASA-N 1 0 342.439 4.314 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000852596379 1053595474 /nfs/dbraw/zinc/59/54/74/1053595474.db2.gz LHLYVIYHZCBXEM-DYVFJYSZSA-N 1 0 338.835 4.029 20 5 EIBDRO C[C@H]([NH2+]Cc1ccsc1C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866405667 1053717868 /nfs/dbraw/zinc/71/78/68/1053717868.db2.gz HIKRQSNEGKWLKS-QMMMGPOBSA-N 1 0 345.346 4.108 20 5 EIBDRO COCCC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000866539339 1053775768 /nfs/dbraw/zinc/77/57/68/1053775768.db2.gz AWGSVNFUPPZQBM-SFHVURJKSA-N 1 0 346.402 4.300 20 5 EIBDRO C[C@@H]([NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000301296859 1053858397 /nfs/dbraw/zinc/85/83/97/1053858397.db2.gz YCADMJIEGGXXQZ-GFCCVEGCSA-N 1 0 348.834 4.185 20 5 EIBDRO CC(C)c1cc([C@@H]2CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC001197542354 1053933630 /nfs/dbraw/zinc/93/36/30/1053933630.db2.gz KQKADVBJKJEQIZ-HUUCEWRRSA-N 1 0 342.443 4.382 20 5 EIBDRO C[C@H]([NH2+]CCOc1ccc(F)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC001197661055 1053960592 /nfs/dbraw/zinc/96/05/92/1053960592.db2.gz SUQSQLUBRTWSSE-NSHDSACASA-N 1 0 338.766 4.117 20 5 EIBDRO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000173322197 1054022107 /nfs/dbraw/zinc/02/21/07/1054022107.db2.gz ZYIOWKYYVSYCKD-KBPBESRZSA-N 1 0 344.411 4.332 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000857081936 1054174544 /nfs/dbraw/zinc/17/45/44/1054174544.db2.gz KHLYXEDLFNXZIX-JQWIXIFHSA-N 1 0 347.242 4.228 20 5 EIBDRO Cc1cccnc1[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001198507278 1054179413 /nfs/dbraw/zinc/17/94/13/1054179413.db2.gz JKFCTMGCTMLKQW-SFHVURJKSA-N 1 0 327.428 4.218 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](c2ccc(C)o2)C2CCC2)cc1[N+](=O)[O-] ZINC000542667871 1054181521 /nfs/dbraw/zinc/18/15/21/1054181521.db2.gz BFBBKLSTUCVXOF-GOSISDBHSA-N 1 0 330.384 4.136 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000871936858 1054325321 /nfs/dbraw/zinc/32/53/21/1054325321.db2.gz ONPVHWCTCVTZAL-QWRGUYRKSA-N 1 0 339.317 4.420 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000872033495 1054349481 /nfs/dbraw/zinc/34/94/81/1054349481.db2.gz IDELSOLRKKTLGR-MEDUHNTESA-N 1 0 344.436 4.360 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000872039774 1054352226 /nfs/dbraw/zinc/35/22/26/1054352226.db2.gz HCOLBFXXAVOFKT-OLZOCXBDSA-N 1 0 331.441 4.166 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)c1ccccc1C ZINC000872041082 1054356635 /nfs/dbraw/zinc/35/66/35/1054356635.db2.gz POGVXMIXBVEKKS-DYVFJYSZSA-N 1 0 346.452 4.009 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCc1nccs1 ZINC000872045777 1054360342 /nfs/dbraw/zinc/36/03/42/1054360342.db2.gz RLTADXIOMOBITK-NSHDSACASA-N 1 0 337.470 4.057 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)c1c(C)noc1C ZINC000872053614 1054364980 /nfs/dbraw/zinc/36/49/80/1054364980.db2.gz VYFWMIWVLIVIGW-GHMZBOCLSA-N 1 0 349.456 4.376 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000873108333 1054486557 /nfs/dbraw/zinc/48/65/57/1054486557.db2.gz XDIGDMPITZKXEG-PXNSSMCTSA-N 1 0 340.423 4.222 20 5 EIBDRO C[N@@H+]1CCC[C@H](CNc2c(F)cccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000553080534 1054850372 /nfs/dbraw/zinc/85/03/72/1054850372.db2.gz NNLRJDHUMWGOQO-PXAZEXFGSA-N 1 0 349.431 4.290 20 5 EIBDRO CCC1(CC)[C@@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC001201618886 1054866993 /nfs/dbraw/zinc/86/69/93/1054866993.db2.gz YHBKPTLAPBGKPC-ROUUACIJSA-N 1 0 334.460 4.402 20 5 EIBDRO CC(C)(C)C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000876930618 1054984264 /nfs/dbraw/zinc/98/42/64/1054984264.db2.gz CAHNCFBMMQOXPL-HTWSVDAQSA-N 1 0 342.443 4.262 20 5 EIBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](CC3CCC3)c3ccccc3)C2)c1 ZINC000877164875 1055031786 /nfs/dbraw/zinc/03/17/86/1055031786.db2.gz FFGUPMZEMRPDMP-TVPLGVNVSA-N 1 0 340.427 4.016 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)cc1Cl ZINC000877698382 1055109425 /nfs/dbraw/zinc/10/94/25/1055109425.db2.gz STFFFPIPQHUYRI-INIZCTEOSA-N 1 0 338.835 4.077 20 5 EIBDRO Cc1csc([C@H]2CC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)n1 ZINC000877813933 1055128598 /nfs/dbraw/zinc/12/85/98/1055128598.db2.gz QHOXAHIAQCIGCM-LBPRGKRZSA-N 1 0 337.832 4.003 20 5 EIBDRO CC[C@H](C)[C@H](C)[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000878057915 1055182121 /nfs/dbraw/zinc/18/21/21/1055182121.db2.gz RDQKAGGDKYZORV-STQMWFEESA-N 1 0 344.415 4.044 20 5 EIBDRO CC(C)CC[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878199567 1055205967 /nfs/dbraw/zinc/20/59/67/1055205967.db2.gz CUMLDSJUGZFWJI-CQSZACIVSA-N 1 0 344.415 4.045 20 5 EIBDRO C[N@@H+]1CCC[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301452236 1055354911 /nfs/dbraw/zinc/35/49/11/1055354911.db2.gz XSKIKSHZIURAJH-YVEFUNNKSA-N 1 0 349.431 4.290 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000765806348 1055401964 /nfs/dbraw/zinc/40/19/64/1055401964.db2.gz BUOKCLJDVKQINA-UGSOOPFHSA-N 1 0 348.830 4.115 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000765806346 1055402302 /nfs/dbraw/zinc/40/23/02/1055402302.db2.gz BUOKCLJDVKQINA-FZKQIMNGSA-N 1 0 348.830 4.115 20 5 EIBDRO C[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090975035 1055440309 /nfs/dbraw/zinc/44/03/09/1055440309.db2.gz KYGYORWZJFBGOE-HLIUYOAVSA-N 1 0 348.443 4.146 20 5 EIBDRO CCC[C@@H]([NH2+][C@@H](COC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000089667755 1055475309 /nfs/dbraw/zinc/47/53/09/1055475309.db2.gz NBQVWBJTGXFTCT-MOPGFXCFSA-N 1 0 328.412 4.413 20 5 EIBDRO CC[C@@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000765819006 1055561167 /nfs/dbraw/zinc/56/11/67/1055561167.db2.gz TXDXOYCCBNMGDV-MSOLQXFVSA-N 1 0 348.830 4.197 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000273507691 1055890005 /nfs/dbraw/zinc/89/00/05/1055890005.db2.gz ZWUPOEJFHZWSRL-IRWQIABSSA-N 1 0 344.386 4.305 20 5 EIBDRO CCN(C)c1ccccc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000765849730 1055914644 /nfs/dbraw/zinc/91/46/44/1055914644.db2.gz PGBZJRFNGCNKIH-OAHLLOKOSA-N 1 0 327.428 4.210 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)(F)F)cc1 ZINC000073649994 1056259647 /nfs/dbraw/zinc/25/96/47/1056259647.db2.gz WLGXTVQXFPCITJ-NSHDSACASA-N 1 0 340.301 4.344 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]CCc2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000327375251 1056745411 /nfs/dbraw/zinc/74/54/11/1056745411.db2.gz MTJXBPJSCPKBLD-HNNXBMFYSA-N 1 0 335.407 4.345 20 5 EIBDRO CS[C@H]1CC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000742382528 1058585119 /nfs/dbraw/zinc/58/51/19/1058585119.db2.gz CLUUPKOEXZNBPV-DOMZBBRYSA-N 1 0 349.481 4.092 20 5 EIBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C12CCCC2 ZINC000742390431 1058590785 /nfs/dbraw/zinc/59/07/85/1058590785.db2.gz GVWABJGANRKGGK-HZPDHXFCSA-N 1 0 338.835 4.076 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000743851891 1059156872 /nfs/dbraw/zinc/15/68/72/1059156872.db2.gz GWAAZAKTPJOBON-INIZCTEOSA-N 1 0 338.835 4.172 20 5 EIBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000743869609 1059185224 /nfs/dbraw/zinc/18/52/24/1059185224.db2.gz SKFQPYOPDHNFNX-JSGCOSHPSA-N 1 0 328.865 4.354 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000766470347 1060373930 /nfs/dbraw/zinc/37/39/30/1060373930.db2.gz DNZJXCRKGKMSTK-NRFANRHFSA-N 1 0 348.402 4.085 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCC(c2ccccc2)c2ccccc2)C1 ZINC001168977043 1060550416 /nfs/dbraw/zinc/55/04/16/1060550416.db2.gz HEMBOICLLYZHOV-XLIONFOSSA-N 1 0 338.451 4.244 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC001168958775 1060555751 /nfs/dbraw/zinc/55/57/51/1060555751.db2.gz ZUKHDSVKPIHSRL-SFHVURJKSA-N 1 0 326.396 4.331 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)cc2)C1 ZINC001168964958 1060559304 /nfs/dbraw/zinc/55/93/04/1060559304.db2.gz WTFRMEDSYLDRHW-IAGOWNOFSA-N 1 0 326.396 4.014 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2cccc(Oc3ccccc3)c2)C1 ZINC001168967455 1060563849 /nfs/dbraw/zinc/56/38/49/1060563849.db2.gz PSCIELNAEYKIJC-MSOLQXFVSA-N 1 0 340.423 4.056 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC001168998810 1060570833 /nfs/dbraw/zinc/57/08/33/1060570833.db2.gz QGDSELXHZWAQLA-NIKGAXFTSA-N 1 0 344.842 4.464 20 5 EIBDRO CC[N@H+](Cc1ccc(Cl)cc1Cl)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169044849 1060598723 /nfs/dbraw/zinc/59/87/23/1060598723.db2.gz JCJIIPKWIZCECD-FZMZJTMJSA-N 1 0 331.243 4.261 20 5 EIBDRO C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047482 1060602869 /nfs/dbraw/zinc/60/28/69/1060602869.db2.gz RFGBGFIEVOMLJA-VIDZHXABSA-N 1 0 348.446 4.308 20 5 EIBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC001169102536 1060637692 /nfs/dbraw/zinc/63/76/92/1060637692.db2.gz OJBLVPQBPPHWTL-ZDUSSCGKSA-N 1 0 340.832 4.429 20 5 EIBDRO CC1(C)C[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C[C@](C)(C[NH3+])C1 ZINC001169141562 1060660009 /nfs/dbraw/zinc/66/00/09/1060660009.db2.gz CBWDOBBWULNLSF-DJJJIMSYSA-N 1 0 342.443 4.099 20 5 EIBDRO CC1(C)C[C@@H](Nc2cc3cccnc3c([N+](=O)[O-])c2)C[C@@](C)(C[NH3+])C1 ZINC001169153792 1060669948 /nfs/dbraw/zinc/66/99/48/1060669948.db2.gz UJLAMMZQFROZKY-DNVCBOLYSA-N 1 0 342.443 4.099 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC3(CCCCC3)CC2)c1 ZINC001169306825 1060765173 /nfs/dbraw/zinc/76/51/73/1060765173.db2.gz JIXRKMYQYBDPBC-SFHVURJKSA-N 1 0 332.444 4.065 20 5 EIBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc2ncccc2c1[N+](=O)[O-] ZINC001169693074 1060902780 /nfs/dbraw/zinc/90/27/80/1060902780.db2.gz VPVFNOBBIRYPHT-MRXNPFEDSA-N 1 0 348.406 4.383 20 5 EIBDRO C[NH+](C)[C@@H](CNc1cc(Cl)ccc1[N+](=O)[O-])c1ccsc1 ZINC000804345443 1061084133 /nfs/dbraw/zinc/08/41/33/1061084133.db2.gz NKHOPMZEMXFWLT-AWEZNQCLSA-N 1 0 325.821 4.025 20 5 EIBDRO CCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000532193627 1032079026 /nfs/dbraw/zinc/07/90/26/1032079026.db2.gz YEYVRGNPDOUULM-CQSZACIVSA-N 1 0 341.411 4.103 20 5 EIBDRO COc1ccccc1C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000532216763 1032097716 /nfs/dbraw/zinc/09/77/16/1032097716.db2.gz IHIGQNRZSOZZHY-LJQANCHMSA-N 1 0 342.439 4.003 20 5 EIBDRO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000532218784 1032098575 /nfs/dbraw/zinc/09/85/75/1032098575.db2.gz XYAVKHIHHYPDQM-AGRHKRQWSA-N 1 0 344.386 4.305 20 5 EIBDRO COc1ccc(O[C@H](C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000532234357 1032115903 /nfs/dbraw/zinc/11/59/03/1032115903.db2.gz VGSCTCCLKFAQGX-HUUCEWRRSA-N 1 0 344.411 4.030 20 5 EIBDRO COc1ccc(O[C@@H](C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000532234358 1032117880 /nfs/dbraw/zinc/11/78/80/1032117880.db2.gz VGSCTCCLKFAQGX-LSDHHAIUSA-N 1 0 344.411 4.030 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)Oc1ccccc1F ZINC000532238563 1032120146 /nfs/dbraw/zinc/12/01/46/1032120146.db2.gz IMKXBUJQJAVCOC-UONOGXRCSA-N 1 0 332.375 4.160 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)Oc1ccccc1F ZINC000532238561 1032121624 /nfs/dbraw/zinc/12/16/24/1032121624.db2.gz IMKXBUJQJAVCOC-KBPBESRZSA-N 1 0 332.375 4.160 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]CCCF)cc1 ZINC000532270359 1032128248 /nfs/dbraw/zinc/12/82/48/1032128248.db2.gz KQSPKLVQCJNREC-UHFFFAOYSA-N 1 0 338.766 4.490 20 5 EIBDRO CC(C)C[C@H]([NH3+])c1noc(-c2cc3ccccc3c3cccnc23)n1 ZINC000339366628 1018820053 /nfs/dbraw/zinc/82/00/53/1018820053.db2.gz LMESBMVMQNKZRW-KRWDZBQOSA-N 1 0 332.407 4.484 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000430202287 1019261918 /nfs/dbraw/zinc/26/19/18/1019261918.db2.gz FWLLNHYOSLNJLD-LJQANCHMSA-N 1 0 344.386 4.374 20 5 EIBDRO C[C@@H]([N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1(C)CC1 ZINC000091900264 1032857479 /nfs/dbraw/zinc/85/74/79/1032857479.db2.gz GPURONKJNLGFIY-GFCCVEGCSA-N 1 0 331.441 4.339 20 5 EIBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000609704432 1020036196 /nfs/dbraw/zinc/03/61/96/1020036196.db2.gz ZRQOVNWBGDQIMO-CQSZACIVSA-N 1 0 343.402 4.371 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cccc(OC(F)F)c1 ZINC000283123929 1020446124 /nfs/dbraw/zinc/44/61/24/1020446124.db2.gz NBWPJCLFKUIKQD-SNVBAGLBSA-N 1 0 340.301 4.186 20 5 EIBDRO CC(C)[N@H+](CC[C@@H]1CC1(Cl)Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC001167179065 1020489330 /nfs/dbraw/zinc/48/93/30/1020489330.db2.gz ULBFXGAZHLEIBR-CYBMUJFWSA-N 1 0 331.243 4.389 20 5 EIBDRO CC(C)[N@H+](CC[C@H]1CC1(Cl)Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC001167179066 1020489711 /nfs/dbraw/zinc/48/97/11/1020489711.db2.gz ULBFXGAZHLEIBR-ZDUSSCGKSA-N 1 0 331.243 4.389 20 5 EIBDRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000547832026 1020784267 /nfs/dbraw/zinc/78/42/67/1020784267.db2.gz RYSUHDKJUCVQGC-XJKSGUPXSA-N 1 0 344.415 4.093 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000610271447 1020834216 /nfs/dbraw/zinc/83/42/16/1020834216.db2.gz IFBYJSRFGVNRQU-NXHRZFHOSA-N 1 0 332.444 4.011 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCC[C@@H]3c3ccccc3)nc2c1 ZINC000133916440 1020860200 /nfs/dbraw/zinc/86/02/00/1020860200.db2.gz DEEJAKNQVAPORB-HZPDHXFCSA-N 1 0 337.379 4.162 20 5 EIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]2C2CCC2)c1 ZINC001167307636 1021003056 /nfs/dbraw/zinc/00/30/56/1021003056.db2.gz ZMQLTUQBAGJISB-HNNXBMFYSA-N 1 0 328.334 4.378 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001167332382 1021193626 /nfs/dbraw/zinc/19/36/26/1021193626.db2.gz KFZCHRKZOOWJAQ-KRWDZBQOSA-N 1 0 340.423 4.058 20 5 EIBDRO CCC[NH+](CCC)CCCc1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000612936598 1021548762 /nfs/dbraw/zinc/54/87/62/1021548762.db2.gz KZUNFDHHCNGXJP-UHFFFAOYSA-N 1 0 346.431 4.008 20 5 EIBDRO CC(C)[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000580056403 1021580809 /nfs/dbraw/zinc/58/08/09/1021580809.db2.gz AHDGUVFRHSNVMB-IBGZPJMESA-N 1 0 344.411 4.102 20 5 EIBDRO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000580550263 1021798522 /nfs/dbraw/zinc/79/85/22/1021798522.db2.gz BRMJZDKBCKHHBZ-FRRDWIJNSA-N 1 0 332.425 4.151 20 5 EIBDRO C[C@@H](NCc1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000548074332 1021838366 /nfs/dbraw/zinc/83/83/66/1021838366.db2.gz NPTBNALPXCYWQH-LLVKDONJSA-N 1 0 346.337 4.190 20 5 EIBDRO CC[NH+](CC)Cc1ccc(NCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000469128737 1021844711 /nfs/dbraw/zinc/84/47/11/1021844711.db2.gz ZUPADMPSHQETHN-UHFFFAOYSA-N 1 0 331.391 4.188 20 5 EIBDRO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000536662340 1021943403 /nfs/dbraw/zinc/94/34/03/1021943403.db2.gz YDNMYKKWWVGLQS-ZDUSSCGKSA-N 1 0 333.457 4.424 20 5 EIBDRO Cc1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)nc1C ZINC000414161663 1022001428 /nfs/dbraw/zinc/00/14/28/1022001428.db2.gz FYZUBFRQTZRKBS-SFHVURJKSA-N 1 0 325.412 4.119 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(c2ccccn2)CCC1 ZINC000582597586 1022103405 /nfs/dbraw/zinc/10/34/05/1022103405.db2.gz UVPMWRHUXGIBLB-MRXNPFEDSA-N 1 0 339.439 4.022 20 5 EIBDRO CCc1ccc([C@H]([NH2+][C@@H]2CS[C@@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414222066 1022205076 /nfs/dbraw/zinc/20/50/76/1022205076.db2.gz DYKJKABUTAJTID-XAYKYTGQSA-N 1 0 346.452 4.323 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000471602965 1022307711 /nfs/dbraw/zinc/30/77/11/1022307711.db2.gz QOQXMGDVLHYBJD-RYGJVYDSSA-N 1 0 341.455 4.327 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCC3(CCOCC3)CC2)ccc1Cl ZINC000378055387 1022321950 /nfs/dbraw/zinc/32/19/50/1022321950.db2.gz XMGHPEPQUWWOEW-UHFFFAOYSA-N 1 0 338.835 4.077 20 5 EIBDRO C[C@@H]1C[C@H](C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000414262821 1022345179 /nfs/dbraw/zinc/34/51/79/1022345179.db2.gz OWRMVJPWHPFUIV-CWLMSFPYSA-N 1 0 340.423 4.087 20 5 EIBDRO CC[C@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1cccc([N+](=O)[O-])c1 ZINC000537448769 1022347397 /nfs/dbraw/zinc/34/73/97/1022347397.db2.gz FLUKVDDQSWYOFN-INIZCTEOSA-N 1 0 340.379 4.054 20 5 EIBDRO CC[C@@H](CCO)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000159086955 1022444085 /nfs/dbraw/zinc/44/40/85/1022444085.db2.gz GKMAYEMTIOVUKD-OLZOCXBDSA-N 1 0 334.441 4.135 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)nc21)c1cccc([N+](=O)[O-])c1 ZINC000378186487 1022488916 /nfs/dbraw/zinc/48/89/16/1022488916.db2.gz XPKKFKZCPILELX-SJLPKXTDSA-N 1 0 342.443 4.108 20 5 EIBDRO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000378187203 1022503125 /nfs/dbraw/zinc/50/31/25/1022503125.db2.gz ZKDBQEGCIIVMBY-SUMWQHHRSA-N 1 0 342.395 4.086 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H]3C3CCC3)o2)c1 ZINC000104694663 1022699079 /nfs/dbraw/zinc/69/90/79/1022699079.db2.gz FVUVKZDMFRLIKP-KRWDZBQOSA-N 1 0 341.411 4.057 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000104700596 1022722836 /nfs/dbraw/zinc/72/28/36/1022722836.db2.gz FWZUAULNESHBPH-IBGZPJMESA-N 1 0 326.396 4.234 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000178217694 1022782529 /nfs/dbraw/zinc/78/25/29/1022782529.db2.gz YEICGPGRQRTDDR-KBPBESRZSA-N 1 0 326.396 4.250 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(c3ccc(Br)cc3)CC2)c1 ZINC000236680749 1022868622 /nfs/dbraw/zinc/86/86/22/1022868622.db2.gz LBZKVKJMHJNLDE-UHFFFAOYSA-N 1 0 347.212 4.136 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(OC(C)(C)C)nc2)cc1[N+](=O)[O-] ZINC000181343378 1022950059 /nfs/dbraw/zinc/95/00/59/1022950059.db2.gz OBTKDYLEYNRWSV-AWEZNQCLSA-N 1 0 343.427 4.326 20 5 EIBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cscc2C(F)(F)F)c1 ZINC000581339598 1023034842 /nfs/dbraw/zinc/03/48/42/1023034842.db2.gz FSRMEKBUZWQTKR-UHFFFAOYSA-N 1 0 330.331 4.007 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000247341007 1023166328 /nfs/dbraw/zinc/16/63/28/1023166328.db2.gz GCAUREKPPQTOEH-FUHWJXTLSA-N 1 0 340.423 4.195 20 5 EIBDRO C[C@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1nccs1 ZINC000417343928 1023279467 /nfs/dbraw/zinc/27/94/67/1023279467.db2.gz PAQBCRAPHKTKCS-MLGOLLRUSA-N 1 0 331.441 4.212 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2csc(-c3cccs3)n2)cc1 ZINC000105448129 1023451593 /nfs/dbraw/zinc/45/15/93/1023451593.db2.gz YVIIGXTZHSPVAV-UHFFFAOYSA-N 1 0 345.449 4.112 20 5 EIBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000480762660 1023534023 /nfs/dbraw/zinc/53/40/23/1023534023.db2.gz KQOQEXQJODEDBL-SUMDDJOVSA-N 1 0 334.460 4.099 20 5 EIBDRO COc1cccc(C2(F)CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000500138452 1023536117 /nfs/dbraw/zinc/53/61/17/1023536117.db2.gz LRHYXNCLIGCADY-UHFFFAOYSA-N 1 0 344.386 4.064 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000566592706 1023558280 /nfs/dbraw/zinc/55/82/80/1023558280.db2.gz JRPHBZMAAGCSTO-KYQKOBIMSA-N 1 0 342.439 4.032 20 5 EIBDRO CC(C)CCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000236786064 1023703459 /nfs/dbraw/zinc/70/34/59/1023703459.db2.gz DVDHMXSHEYLYHG-UHFFFAOYSA-N 1 0 328.412 4.310 20 5 EIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000517527712 1023719511 /nfs/dbraw/zinc/71/95/11/1023719511.db2.gz KFXYXGGIGFZPJU-OAHLLOKOSA-N 1 0 328.412 4.057 20 5 EIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000517527710 1023719905 /nfs/dbraw/zinc/71/99/05/1023719905.db2.gz KFXYXGGIGFZPJU-HNNXBMFYSA-N 1 0 328.412 4.057 20 5 EIBDRO C[C@@H]([NH2+]CC(C)(C)CCO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178161471 1023744378 /nfs/dbraw/zinc/74/43/78/1023744378.db2.gz PZRMMIQUCQBUTH-CYBMUJFWSA-N 1 0 348.468 4.383 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+]CCC3(F)CCC3)o2)c([N+](=O)[O-])c1 ZINC000566701522 1023755924 /nfs/dbraw/zinc/75/59/24/1023755924.db2.gz SQBKWHYKTCFBTN-UHFFFAOYSA-N 1 0 348.374 4.235 20 5 EIBDRO C[C@H](CCc1c(F)cccc1F)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000510664761 1024199501 /nfs/dbraw/zinc/19/95/01/1024199501.db2.gz LZOCWDLRAGVMHP-CYBMUJFWSA-N 1 0 334.366 4.026 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000341818015 1024773957 /nfs/dbraw/zinc/77/39/57/1024773957.db2.gz VSEYTSNBFMAPEX-MRXNPFEDSA-N 1 0 332.787 4.252 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178424054 1024817369 /nfs/dbraw/zinc/81/73/69/1024817369.db2.gz AQHDTZRHCDKTFP-KGLIPLIRSA-N 1 0 346.452 4.401 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccc(F)cn3)s2)cc1 ZINC000610787835 1024852032 /nfs/dbraw/zinc/85/20/32/1024852032.db2.gz YNPUPOAHOIFWQC-UHFFFAOYSA-N 1 0 343.383 4.147 20 5 EIBDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000481537421 1025191383 /nfs/dbraw/zinc/19/13/83/1025191383.db2.gz BYVYONJRJGDJGY-ZUZCIYMTSA-N 1 0 340.832 4.176 20 5 EIBDRO COCC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482006839 1025389912 /nfs/dbraw/zinc/38/99/12/1025389912.db2.gz ILXGCXMERNBQBI-CHWSQXEVSA-N 1 0 334.441 4.399 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000510998291 1025396787 /nfs/dbraw/zinc/39/67/87/1025396787.db2.gz OALVXVYHKSGTGG-WFASDCNBSA-N 1 0 328.815 4.299 20 5 EIBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1(CC)CC ZINC001167819392 1025416311 /nfs/dbraw/zinc/41/63/11/1025416311.db2.gz MZABZHZAMNRLQR-IRXDYDNUSA-N 1 0 338.423 4.150 20 5 EIBDRO CC(C)c1ccc(C[NH+]2CCC3(CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000585767960 1025830989 /nfs/dbraw/zinc/83/09/89/1025830989.db2.gz LJQILOIJAYJKHC-UHFFFAOYSA-N 1 0 332.444 4.111 20 5 EIBDRO C[C@H]([NH2+]CCC1CC(O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000432408739 1025875100 /nfs/dbraw/zinc/87/51/00/1025875100.db2.gz CSRUAXLOVUFYSV-HSBZDZAISA-N 1 0 346.452 4.135 20 5 EIBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C12CCCCC2 ZINC001167535354 1025978209 /nfs/dbraw/zinc/97/82/09/1025978209.db2.gz VGHVNPDQFUZIKA-ROUUACIJSA-N 1 0 332.444 4.155 20 5 EIBDRO C[C@@H](O)c1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000279029911 1025978250 /nfs/dbraw/zinc/97/82/50/1025978250.db2.gz IIEMTKDELXBFRX-BFUOFWGJSA-N 1 0 340.423 4.160 20 5 EIBDRO COc1ccc([C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000178532118 1026047254 /nfs/dbraw/zinc/04/72/54/1026047254.db2.gz PHZMVFOMPWBJNC-YJYMSZOUSA-N 1 0 326.396 4.405 20 5 EIBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279094650 1026070272 /nfs/dbraw/zinc/07/02/72/1026070272.db2.gz NSUSTEHQQLRWHB-DIFFPNOSSA-N 1 0 343.427 4.315 20 5 EIBDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279128820 1026120576 /nfs/dbraw/zinc/12/05/76/1026120576.db2.gz QTOZUGBSKCEXOZ-BBATYDOGSA-N 1 0 343.427 4.143 20 5 EIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC3(C2)CCCCCC3)c1 ZINC001167549268 1026195105 /nfs/dbraw/zinc/19/51/05/1026195105.db2.gz MGNPAUPXHVSIJS-UHFFFAOYSA-N 1 0 332.444 4.410 20 5 EIBDRO Cc1nc(C)c(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000279199585 1026196249 /nfs/dbraw/zinc/19/62/49/1026196249.db2.gz XGJAEDYIWGUAKO-HNNXBMFYSA-N 1 0 331.441 4.180 20 5 EIBDRO COc1cc(C[NH2+][C@H](C)c2cccc(C)c2C)c([N+](=O)[O-])cc1F ZINC000184308444 1026411978 /nfs/dbraw/zinc/41/19/78/1026411978.db2.gz AVCGZYLXIOACAW-CYBMUJFWSA-N 1 0 332.375 4.210 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000506960291 1026556347 /nfs/dbraw/zinc/55/63/47/1026556347.db2.gz LCOAGSZJERGQFZ-GOSISDBHSA-N 1 0 328.412 4.480 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000050015631 1026680777 /nfs/dbraw/zinc/68/07/77/1026680777.db2.gz VYHFHRGTQUHFFN-OAHLLOKOSA-N 1 0 347.212 4.134 20 5 EIBDRO CN(CCc1ccccc1[N+](=O)[O-])Cc1csc(C(C)(C)C)n1 ZINC000511141995 1026722247 /nfs/dbraw/zinc/72/22/47/1026722247.db2.gz YAPKOBLZYYJMTB-UHFFFAOYSA-N 1 0 333.457 4.023 20 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ZINC000441323758 1027447750 /nfs/dbraw/zinc/44/77/50/1027447750.db2.gz OGEQIEOMXCWLMF-KUHUBIRLSA-N 1 0 328.387 4.360 20 5 EIBDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000441323432 1027447941 /nfs/dbraw/zinc/44/79/41/1027447941.db2.gz MZZHQXBTCKIITJ-KDOFPFPSSA-N 1 0 344.386 4.196 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1N(C)C ZINC000178686498 1027474736 /nfs/dbraw/zinc/47/47/36/1027474736.db2.gz HKKFXTMTLXDLFA-QWHCGFSZSA-N 1 0 331.391 4.212 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000441349281 1027484670 /nfs/dbraw/zinc/48/46/70/1027484670.db2.gz FJDKFFWPMDVSIG-SJLPKXTDSA-N 1 0 340.423 4.195 20 5 EIBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1cc2cccnc2c2ncccc12 ZINC001167626763 1027488120 /nfs/dbraw/zinc/48/81/20/1027488120.db2.gz SMZNLJXMEPNOCL-UHFFFAOYSA-N 1 0 334.467 4.268 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)c(F)c1 ZINC000475552346 1027603565 /nfs/dbraw/zinc/60/35/65/1027603565.db2.gz LLVDEIDVOVGFQS-CJNGLKHVSA-N 1 0 332.350 4.299 20 5 EIBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CCC(C(F)(F)F)CC1 ZINC000474892542 1027746918 /nfs/dbraw/zinc/74/69/18/1027746918.db2.gz JUQRXRAQTAINAO-GRTSSRMGSA-N 1 0 344.377 4.484 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186697526 1027822787 /nfs/dbraw/zinc/82/27/87/1027822787.db2.gz AMRLLNXEWUFIGY-MGPUTAFESA-N 1 0 338.407 4.096 20 5 EIBDRO CC(C)C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccs1 ZINC000444681631 1027960568 /nfs/dbraw/zinc/96/05/68/1027960568.db2.gz VSVQEDXJZCZDCN-HNNXBMFYSA-N 1 0 344.440 4.410 20 5 EIBDRO CC(C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(Cl)c1 ZINC000444683135 1027965695 /nfs/dbraw/zinc/96/56/95/1027965695.db2.gz DCVRWYWCUHBJOX-UHFFFAOYSA-N 1 0 344.802 4.149 20 5 EIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1csc2ccccc12 ZINC000523701618 1028322580 /nfs/dbraw/zinc/32/25/80/1028322580.db2.gz KXKSLLQSYLCNNQ-UHFFFAOYSA-N 1 0 326.421 4.484 20 5 EIBDRO COc1ccccc1C1CC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000324250545 1028837518 /nfs/dbraw/zinc/83/75/18/1028837518.db2.gz ZYACXRPSAUANBS-JEYLPNPQSA-N 1 0 326.396 4.200 20 5 EIBDRO Cc1cc(Cl)nc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000281916973 1028956614 /nfs/dbraw/zinc/95/66/14/1028956614.db2.gz AGUFAXUIGURMJW-INIZCTEOSA-N 1 0 331.803 4.119 20 5 EIBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000524425759 1028958403 /nfs/dbraw/zinc/95/84/03/1028958403.db2.gz QNHRSXBPBBXLLD-INIZCTEOSA-N 1 0 342.439 4.099 20 5 EIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000475154821 1029300987 /nfs/dbraw/zinc/30/09/87/1029300987.db2.gz LUUCPQRVBNRDFX-ZOBUZTSGSA-N 1 0 347.459 4.035 20 5 EIBDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000475191256 1029399363 /nfs/dbraw/zinc/39/93/63/1029399363.db2.gz NCDDGZRVBQTVDM-UHFFFAOYSA-N 1 0 343.814 4.338 20 5 EIBDRO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000525123364 1029463902 /nfs/dbraw/zinc/46/39/02/1029463902.db2.gz YVGGZWROPQPRDT-SJLPKXTDSA-N 1 0 340.423 4.099 20 5 EIBDRO CCOc1ccc2c(c1)CCN([C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000441067309 1029512031 /nfs/dbraw/zinc/51/20/31/1029512031.db2.gz QHABBGNOADBEDG-CQSZACIVSA-N 1 0 326.396 4.113 20 5 EIBDRO CCO[C@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000446856692 1029610248 /nfs/dbraw/zinc/61/02/48/1029610248.db2.gz PQYJPIRFZJICSS-ZRNYNZGJSA-N 1 0 340.423 4.366 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000584402492 1029822325 /nfs/dbraw/zinc/82/23/25/1029822325.db2.gz WVWPKEILIGOAFO-VYESFELBSA-N 1 0 342.361 4.237 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000525858426 1030080282 /nfs/dbraw/zinc/08/02/82/1030080282.db2.gz QFYKRUUHLSCBDX-SJCJKPOMSA-N 1 0 330.359 4.217 20 5 EIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCC3)CC2)cc1C(F)(F)F ZINC000450880621 1030084454 /nfs/dbraw/zinc/08/44/54/1030084454.db2.gz XHNGGKPAPIZPAL-UHFFFAOYSA-N 1 0 343.349 4.042 20 5 EIBDRO Cc1csc(CCCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000447527271 1030121171 /nfs/dbraw/zinc/12/11/71/1030121171.db2.gz GCROGLFPUKBUIG-KRWDZBQOSA-N 1 0 345.468 4.350 20 5 EIBDRO CCO[C@@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000447557428 1030165552 /nfs/dbraw/zinc/16/55/52/1030165552.db2.gz LTPRVSTUAFPGGV-KXBFYZLASA-N 1 0 328.412 4.332 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451009127 1030174216 /nfs/dbraw/zinc/17/42/16/1030174216.db2.gz ZJXQXLQJNOOSEL-CQSZACIVSA-N 1 0 331.803 4.023 20 5 EIBDRO CCO[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000447566602 1030177499 /nfs/dbraw/zinc/17/74/99/1030177499.db2.gz UZTMITJOLUCWSP-HNAYVOBHSA-N 1 0 328.412 4.332 20 5 EIBDRO COCCC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000447580122 1030211897 /nfs/dbraw/zinc/21/18/97/1030211897.db2.gz NEKRRZLEBGVKOS-GOSISDBHSA-N 1 0 332.444 4.159 20 5 EIBDRO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccc1Cl ZINC000447604672 1030226144 /nfs/dbraw/zinc/22/61/44/1030226144.db2.gz CAFTXMSDYRSANG-CVEARBPZSA-N 1 0 348.834 4.027 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCSC3)o2)c(Cl)c1 ZINC000527240877 1030571884 /nfs/dbraw/zinc/57/18/84/1030571884.db2.gz JDBIKNJGTQJHSV-SNVBAGLBSA-N 1 0 338.816 4.103 20 5 EIBDRO COC[C@@H](NCc1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000530730146 1030665757 /nfs/dbraw/zinc/66/57/57/1030665757.db2.gz RAPSXBUZGIYPGY-GOSISDBHSA-N 1 0 346.402 4.335 20 5 EIBDRO CC(C)(CO)C(C)(C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000530729585 1030680176 /nfs/dbraw/zinc/68/01/76/1030680176.db2.gz RCHHTWLIEPFLMB-UHFFFAOYSA-N 1 0 348.468 4.210 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000248873768 1030874353 /nfs/dbraw/zinc/87/43/53/1030874353.db2.gz QWCLOKPNJLKKIH-POZUXBRTSA-N 1 0 326.396 4.166 20 5 EIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000532419420 1030932425 /nfs/dbraw/zinc/93/24/25/1030932425.db2.gz VABBIKXQTUYLQF-QGZVFWFLSA-N 1 0 345.487 4.071 20 5 EIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000612134821 1031029090 /nfs/dbraw/zinc/02/90/90/1031029090.db2.gz CWRGZEWZOJFCJU-CHWSQXEVSA-N 1 0 344.415 4.074 20 5 EIBDRO CC(C)OCc1ccccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000532461860 1031119753 /nfs/dbraw/zinc/11/97/53/1031119753.db2.gz GRXGOYLTCWUCDL-OAHLLOKOSA-N 1 0 328.412 4.371 20 5 EIBDRO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000179524961 1031201912 /nfs/dbraw/zinc/20/19/12/1031201912.db2.gz PJEKWWTUCISZCH-CYBMUJFWSA-N 1 0 332.375 4.372 20 5 EIBDRO C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(F)cc1 ZINC000532482143 1031217555 /nfs/dbraw/zinc/21/75/55/1031217555.db2.gz RDODMPMWTBMBOW-AUUYWEPGSA-N 1 0 342.414 4.448 20 5 EIBDRO CO[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000532522966 1031241468 /nfs/dbraw/zinc/24/14/68/1031241468.db2.gz LNOKHKUMNBUPAY-SJKOYZFVSA-N 1 0 334.803 4.287 20 5 EIBDRO C[C@H](C[NH2+]C1CCC2(CCOCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000897463952 1031397582 /nfs/dbraw/zinc/39/75/82/1031397582.db2.gz DFIXSYRCRDZGBI-OAHLLOKOSA-N 1 0 332.444 4.027 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000449072483 1031424849 /nfs/dbraw/zinc/42/48/49/1031424849.db2.gz KTBZJVNNCWQYIA-XBFCOCLRSA-N 1 0 330.350 4.237 20 5 EIBDRO C[C@@H]([NH2+]CCCCOc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000531686919 1031457589 /nfs/dbraw/zinc/45/75/89/1031457589.db2.gz PHMZSQZFULOOCY-CQSZACIVSA-N 1 0 332.375 4.244 20 5 EIBDRO CCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000531683241 1031473998 /nfs/dbraw/zinc/47/39/98/1031473998.db2.gz AKYCRJZIRVIQAC-CQSZACIVSA-N 1 0 341.411 4.103 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccc2ccccc2n1 ZINC000531695152 1031476679 /nfs/dbraw/zinc/47/66/79/1031476679.db2.gz ZWETVOVYTUYMQC-OAHLLOKOSA-N 1 0 335.407 4.345 20 5 EIBDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000449221707 1031554796 /nfs/dbraw/zinc/55/47/96/1031554796.db2.gz AWMMGFVUBJVOIV-FNHZYXHNSA-N 1 0 334.460 4.099 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C)c3ccsc32)cc1[N+](=O)[O-] ZINC000453073685 1031557627 /nfs/dbraw/zinc/55/76/27/1031557627.db2.gz BXSRUCSEOQCZDK-SMDDNHRTSA-N 1 0 332.425 4.393 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000449254606 1031570183 /nfs/dbraw/zinc/57/01/83/1031570183.db2.gz ZHKIJZDDLZEEDF-MOXGXCLJSA-N 1 0 340.423 4.036 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCC1(F)F ZINC000449380086 1031691255 /nfs/dbraw/zinc/69/12/55/1031691255.db2.gz VEOSYYKEGFFBMK-HIFRSBDPSA-N 1 0 326.387 4.331 20 5 EIBDRO COc1ncc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1Cl ZINC000449463033 1031783171 /nfs/dbraw/zinc/78/31/71/1031783171.db2.gz WAUISFUNICBVQI-UHFFFAOYSA-N 1 0 349.818 4.065 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000449489688 1031799735 /nfs/dbraw/zinc/79/97/35/1031799735.db2.gz AQUZANAASFRYBV-XJRANTTPSA-N 1 0 332.444 4.039 20 5 EIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC000453345426 1031871750 /nfs/dbraw/zinc/87/17/50/1031871750.db2.gz JZGXDRSNWISMAB-AWEZNQCLSA-N 1 0 328.387 4.030 20 5 EIBDRO CSc1ccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000531959768 1031878382 /nfs/dbraw/zinc/87/83/82/1031878382.db2.gz JVSHCJURVIHCDS-GFCCVEGCSA-N 1 0 334.416 4.349 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000531967014 1031888884 /nfs/dbraw/zinc/88/88/84/1031888884.db2.gz LGTOGUOUTYJNKK-IRXDYDNUSA-N 1 0 339.439 4.223 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]CCC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000453434967 1031964778 /nfs/dbraw/zinc/96/47/78/1031964778.db2.gz TYTRAJNWPURAFF-LLVKDONJSA-N 1 0 328.359 4.080 20 5 EIBDRO COC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000449782375 1032005428 /nfs/dbraw/zinc/00/54/28/1032005428.db2.gz ZGRKSCQEMSIIIU-HNNXBMFYSA-N 1 0 344.411 4.103 20 5 EIBDRO Cc1c(C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000573480226 1033365802 /nfs/dbraw/zinc/36/58/02/1033365802.db2.gz VMYSDHIBODMGAY-OKILXGFUSA-N 1 0 330.350 4.456 20 5 EIBDRO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC1CCCC1 ZINC000512669724 1033678236 /nfs/dbraw/zinc/67/82/36/1033678236.db2.gz XSFQNKGYVJTIQE-UHFFFAOYSA-N 1 0 331.441 4.340 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](c4ccccc4)C3)nc2c1 ZINC000433083670 1033816997 /nfs/dbraw/zinc/81/69/97/1033816997.db2.gz QGRMCBMPLSQCTJ-HNNXBMFYSA-N 1 0 337.379 4.116 20 5 EIBDRO COc1cccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433136357 1033904227 /nfs/dbraw/zinc/90/42/27/1033904227.db2.gz PTPOSUWUCFGGJY-GOSISDBHSA-N 1 0 326.396 4.116 20 5 EIBDRO C[NH+](C)CCn1cc(NCc2c3ccccc3cc3ccccc32)cn1 ZINC000237010889 1033968054 /nfs/dbraw/zinc/96/80/54/1033968054.db2.gz PTDOQNIYOYUNEB-UHFFFAOYSA-N 1 0 344.462 4.363 20 5 EIBDRO CCCC[NH+]1CCC(N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433174710 1033986946 /nfs/dbraw/zinc/98/69/46/1033986946.db2.gz KCIAKLUAWAURJJ-LJQANCHMSA-N 1 0 345.487 4.171 20 5 EIBDRO CC1(C)[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)[C@H]2CCCO[C@H]21 ZINC000433281833 1034149938 /nfs/dbraw/zinc/14/99/38/1034149938.db2.gz LAYIGTFQILRTBT-BVPBIZIASA-N 1 0 344.455 4.110 20 5 EIBDRO CN(C)c1ccccc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433285124 1034187285 /nfs/dbraw/zinc/18/72/85/1034187285.db2.gz LETHTCNEYPMQLR-SFHVURJKSA-N 1 0 339.439 4.173 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000171410514 1034195316 /nfs/dbraw/zinc/19/53/16/1034195316.db2.gz JIYCEESDFLUFNN-FOCJUVANSA-N 1 0 344.415 4.120 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(C(F)(F)F)CC3)o2)cc1 ZINC000512912961 1034200397 /nfs/dbraw/zinc/20/03/97/1034200397.db2.gz KKGNJXNKOYMSLR-UHFFFAOYSA-N 1 0 340.301 4.287 20 5 EIBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000513057579 1034381816 /nfs/dbraw/zinc/38/18/16/1034381816.db2.gz NQCUFQALTIBLGK-MISYRCLQSA-N 1 0 340.423 4.036 20 5 EIBDRO Cc1cc2cc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)ccc2[nH]1 ZINC000513063357 1034389751 /nfs/dbraw/zinc/38/97/51/1034389751.db2.gz KBNAGFGLDLSLJB-UHFFFAOYSA-N 1 0 329.787 4.328 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(OC2CCCC2)CC1 ZINC000182721882 1034986708 /nfs/dbraw/zinc/98/67/08/1034986708.db2.gz YDVYYTCHXHZFBY-HNNXBMFYSA-N 1 0 332.444 4.388 20 5 EIBDRO CCc1cc(OC)ccc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000501468692 1035449200 /nfs/dbraw/zinc/44/92/00/1035449200.db2.gz CMQANHCBSKDDBG-CQSZACIVSA-N 1 0 328.412 4.325 20 5 EIBDRO CCCn1nccc1C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000501561417 1035467697 /nfs/dbraw/zinc/46/76/97/1035467697.db2.gz LYPMBSGHMGZTHE-HNNXBMFYSA-N 1 0 342.443 4.142 20 5 EIBDRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595011277 1035506021 /nfs/dbraw/zinc/50/60/21/1035506021.db2.gz LKDPAKFXUGEUMB-AWEZNQCLSA-N 1 0 344.411 4.243 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000595006951 1035528595 /nfs/dbraw/zinc/52/85/95/1035528595.db2.gz NFUXCCUEBHRBQO-SCLBCKFNSA-N 1 0 326.396 4.332 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000595003922 1035529083 /nfs/dbraw/zinc/52/90/83/1035529083.db2.gz NNEQVQFQDLHSAT-DJJJIMSYSA-N 1 0 326.396 4.405 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C1(CO)CC1 ZINC000595067113 1035552725 /nfs/dbraw/zinc/55/27/25/1035552725.db2.gz KTUZOCRDWAAUTF-QWHCGFSZSA-N 1 0 346.452 4.135 20 5 EIBDRO CCC[C@H]([NH2+]CCc1noc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000595047216 1035566844 /nfs/dbraw/zinc/56/68/44/1035566844.db2.gz BZUFPLGFDVBUJA-KRWDZBQOSA-N 1 0 339.395 4.410 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)CCCC(F)(F)F ZINC000595047106 1035567200 /nfs/dbraw/zinc/56/72/00/1035567200.db2.gz RCUIZKZSBYHGGP-MNOVXSKESA-N 1 0 334.338 4.375 20 5 EIBDRO CC1(C)OCC[C@@H]1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000595105400 1035588376 /nfs/dbraw/zinc/58/83/76/1035588376.db2.gz GCRBASWGPIQVCK-MJGOQNOKSA-N 1 0 340.423 4.089 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000595091810 1035597381 /nfs/dbraw/zinc/59/73/81/1035597381.db2.gz UJLUWZIIQQSSAO-SJKOYZFVSA-N 1 0 342.395 4.037 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000595097605 1035604993 /nfs/dbraw/zinc/60/49/93/1035604993.db2.gz ZSFLFMOGAJCUCV-BEVDRBHNSA-N 1 0 342.439 4.312 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000595417762 1035673432 /nfs/dbraw/zinc/67/34/32/1035673432.db2.gz CAWDXXXLWLZDEB-CQSZACIVSA-N 1 0 343.402 4.185 20 5 EIBDRO COc1ccc(C[NH2+][C@]2(c3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000595911834 1035804376 /nfs/dbraw/zinc/80/43/76/1035804376.db2.gz ZJCKCPRUUJLDTL-IBGZPJMESA-N 1 0 326.396 4.018 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)CC(F)(F)F ZINC000596096966 1035815898 /nfs/dbraw/zinc/81/58/98/1035815898.db2.gz MBYBIVXHYIAAFR-GFCCVEGCSA-N 1 0 332.366 4.484 20 5 EIBDRO O=[N+]([O-])c1cc(NC2CC([NH+]3CCCCC3)C2)ccc1C(F)(F)F ZINC000596216078 1035836834 /nfs/dbraw/zinc/83/68/34/1035836834.db2.gz CIENWHKRFIRUBM-UHFFFAOYSA-N 1 0 343.349 4.042 20 5 EIBDRO COCCCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237185800 1036200353 /nfs/dbraw/zinc/20/03/53/1036200353.db2.gz USFWTHPGQLJRRW-UHFFFAOYSA-N 1 0 348.374 4.042 20 5 EIBDRO Cc1c(C[NH2+][C@H](C)c2cnn(C3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000502455543 1036235579 /nfs/dbraw/zinc/23/55/79/1036235579.db2.gz XGQYUBKHPGJBEE-CQSZACIVSA-N 1 0 328.416 4.066 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCCC1(F)F ZINC000588232575 1036307241 /nfs/dbraw/zinc/30/72/41/1036307241.db2.gz OLIGMEQGVKCERD-RISCZKNCSA-N 1 0 330.400 4.243 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C1CC1 ZINC000502599419 1036393515 /nfs/dbraw/zinc/39/35/15/1036393515.db2.gz JWVDUSYCGXKTQY-CZUORRHYSA-N 1 0 338.398 4.331 20 5 EIBDRO CCc1ccc([C@@H]([NH2+][C@H]2CCCSC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000572043372 1036400602 /nfs/dbraw/zinc/40/06/02/1036400602.db2.gz LJHFXFBPEHACBO-KSSFIOAISA-N 1 0 346.452 4.325 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000602565495 1036495139 /nfs/dbraw/zinc/49/51/39/1036495139.db2.gz BYAXXHUYFTZHMO-NSHDSACASA-N 1 0 338.276 4.281 20 5 EIBDRO CO[C@]1(C)CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602639721 1036531395 /nfs/dbraw/zinc/53/13/95/1036531395.db2.gz YUWCSQMIGXRAHD-OAHLLOKOSA-N 1 0 346.349 4.005 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)cc1 ZINC000602641954 1036534599 /nfs/dbraw/zinc/53/45/99/1036534599.db2.gz WGWMAZASULBAGT-UHFFFAOYSA-N 1 0 342.361 4.382 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602888762 1036659296 /nfs/dbraw/zinc/65/92/96/1036659296.db2.gz RCUBUGXLDQZFBA-PBHICJAKSA-N 1 0 348.406 4.089 20 5 EIBDRO CC[C@](C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1 ZINC000602924991 1036669243 /nfs/dbraw/zinc/66/92/43/1036669243.db2.gz SMEFZJLFBZNKPW-SFHVURJKSA-N 1 0 342.374 4.025 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CC1(F)F ZINC000598679860 1036745198 /nfs/dbraw/zinc/74/51/98/1036745198.db2.gz OKYJGZOTHHPNGB-NEPJUHHUSA-N 1 0 330.400 4.100 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cc4cnccc4o3)C2)cc1 ZINC000593632925 1036812309 /nfs/dbraw/zinc/81/23/09/1036812309.db2.gz XTDHPJXRNKFHLK-HNNXBMFYSA-N 1 0 337.379 4.116 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC13CCSCC3)CCC2 ZINC000421889277 1036835700 /nfs/dbraw/zinc/83/57/00/1036835700.db2.gz UIYQCHRRHUVSGO-RHSMWYFYSA-N 1 0 332.469 4.095 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)c1ccc(C)cn1 ZINC000598992171 1036846709 /nfs/dbraw/zinc/84/67/09/1036846709.db2.gz XSUFHEIKUUPYFY-MHWRWJLKSA-N 1 0 339.439 4.269 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2CC(F)(F)F)c(F)c1 ZINC000599018571 1036853071 /nfs/dbraw/zinc/85/30/71/1036853071.db2.gz ZEYGNYVAETTWTG-UHFFFAOYSA-N 1 0 342.292 4.129 20 5 EIBDRO CCCCC[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000486812300 1036861454 /nfs/dbraw/zinc/86/14/54/1036861454.db2.gz ZMHOOKXEILSRLI-HNNXBMFYSA-N 1 0 344.415 4.190 20 5 EIBDRO Cc1ccc(C(C)(C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)nc1 ZINC000599069246 1036867947 /nfs/dbraw/zinc/86/79/47/1036867947.db2.gz DKZBLYMMSPKDQS-OAHLLOKOSA-N 1 0 327.428 4.235 20 5 EIBDRO CC1(C)C[C@@H]([NH2+][C@H](C2CC2)C2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000593715008 1036916060 /nfs/dbraw/zinc/91/60/60/1036916060.db2.gz FVMXPELKHZQCRW-RTBURBONSA-N 1 0 344.455 4.112 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccnc(Oc3ccccc3)c2)cc1 ZINC000603633208 1036918906 /nfs/dbraw/zinc/91/89/06/1036918906.db2.gz OIXQJFPYSOLMDH-UHFFFAOYSA-N 1 0 335.363 4.072 20 5 EIBDRO C[C@H](F)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000590195150 1037008787 /nfs/dbraw/zinc/00/87/87/1037008787.db2.gz ZSTNIBUPGHBDLN-JTQLQIEISA-N 1 0 326.755 4.346 20 5 EIBDRO CC(C)c1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000590380235 1037055396 /nfs/dbraw/zinc/05/53/96/1037055396.db2.gz WIDUAJVSIYPODQ-IBGZPJMESA-N 1 0 344.455 4.109 20 5 EIBDRO CC[C@@H]([NH2+]C1CCC(OC(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000590780131 1037163433 /nfs/dbraw/zinc/16/34/33/1037163433.db2.gz MCQMTBIODGPHNJ-PESDSKBTSA-N 1 0 328.359 4.186 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]CCOc2cccc(Cl)c2Cl)c1 ZINC000604419161 1037384283 /nfs/dbraw/zinc/38/42/83/1037384283.db2.gz XVUPULWSVZEWCW-UHFFFAOYSA-N 1 0 341.194 4.070 20 5 EIBDRO CC(C)c1ccc(CNCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000604478803 1037396953 /nfs/dbraw/zinc/39/69/53/1037396953.db2.gz RKOVFCZSRSVLKV-MRXNPFEDSA-N 1 0 333.476 4.072 20 5 EIBDRO CC(C)c1ccc(C[NH2+]CCc2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000489054858 1037844291 /nfs/dbraw/zinc/84/42/91/1037844291.db2.gz RMOVFJXZJHJLKM-UHFFFAOYSA-N 1 0 334.366 4.329 20 5 EIBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000489077722 1037859176 /nfs/dbraw/zinc/85/91/76/1037859176.db2.gz ZMHSCAXASCPLNB-UGSOOPFHSA-N 1 0 348.468 4.210 20 5 EIBDRO C[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(F)F ZINC000592372493 1037904280 /nfs/dbraw/zinc/90/42/80/1037904280.db2.gz AWWCKYJSARWYID-SNVBAGLBSA-N 1 0 341.383 4.099 20 5 EIBDRO C[C@@H]1SCC[C@@H]1[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000592397131 1037971813 /nfs/dbraw/zinc/97/18/13/1037971813.db2.gz DCSWHYFUWSMWAJ-KKXDTOCCSA-N 1 0 328.437 4.168 20 5 EIBDRO C[C@@H]1SCC[C@H]1[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000592397132 1037973727 /nfs/dbraw/zinc/97/37/27/1037973727.db2.gz DCSWHYFUWSMWAJ-MORSLUCNSA-N 1 0 328.437 4.168 20 5 EIBDRO CC[C@H]([NH2+]CCc1noc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000593971277 1038031636 /nfs/dbraw/zinc/03/16/36/1038031636.db2.gz XAWYXTJDOPAIPZ-INIZCTEOSA-N 1 0 325.368 4.019 20 5 EIBDRO CC(C)c1ccc([C@H]([NH3+])CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000423243134 1038078165 /nfs/dbraw/zinc/07/81/65/1038078165.db2.gz MTRKAWPNUDPSRU-AUUYWEPGSA-N 1 0 327.428 4.069 20 5 EIBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCC(F)(F)CC1 ZINC000594043760 1038283291 /nfs/dbraw/zinc/28/32/91/1038283291.db2.gz LCZHDTSWOJUWQU-SNVBAGLBSA-N 1 0 339.342 4.040 20 5 EIBDRO CC[C@@](C)([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000594979308 1038485670 /nfs/dbraw/zinc/48/56/70/1038485670.db2.gz IYBBAQGVQDMIII-QGZVFWFLSA-N 1 0 331.441 4.387 20 5 EIBDRO CC(C)[NH+](CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)C ZINC000059368226 1038507591 /nfs/dbraw/zinc/50/75/91/1038507591.db2.gz YMVXXMSVILTXMB-UHFFFAOYSA-N 1 0 333.354 4.144 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)c(F)c1 ZINC000490377712 1038610421 /nfs/dbraw/zinc/61/04/21/1038610421.db2.gz XLGXYNKKJLGLOC-AWEZNQCLSA-N 1 0 346.427 4.348 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000539066871 1038817974 /nfs/dbraw/zinc/81/79/74/1038817974.db2.gz WHTDKTCVCHQOME-NJSLBKSFSA-N 1 0 346.402 4.469 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000504900286 1038835203 /nfs/dbraw/zinc/83/52/03/1038835203.db2.gz VGZIDZNLDGYKQN-CHWSQXEVSA-N 1 0 334.441 4.337 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccs1 ZINC000504906429 1038845981 /nfs/dbraw/zinc/84/59/81/1038845981.db2.gz XXMYRZINALWKHP-ZDUSSCGKSA-N 1 0 336.482 4.359 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000504906069 1038846173 /nfs/dbraw/zinc/84/61/73/1038846173.db2.gz SJKLLMHLUVGTEO-CYBMUJFWSA-N 1 0 332.375 4.026 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccn1 ZINC000504925964 1038857826 /nfs/dbraw/zinc/85/78/26/1038857826.db2.gz GBYMSCRSCWDRLS-UONOGXRCSA-N 1 0 331.441 4.211 20 5 EIBDRO CCC1(O)CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000537618810 1038952038 /nfs/dbraw/zinc/95/20/38/1038952038.db2.gz MMWRLWQFRCJEKX-UHFFFAOYSA-N 1 0 346.452 4.060 20 5 EIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC(F)(F)C1 ZINC000600155900 1039336058 /nfs/dbraw/zinc/33/60/58/1039336058.db2.gz KLZBNOJRRDUAFH-MRVPVSSYSA-N 1 0 338.276 4.137 20 5 EIBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000481395267 1039379795 /nfs/dbraw/zinc/37/97/95/1039379795.db2.gz ZPQUKYCGRLFUID-SJCJKPOMSA-N 1 0 334.803 4.114 20 5 EIBDRO Cc1ccc([C@H]2OCCC[C@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000478224735 1039561755 /nfs/dbraw/zinc/56/17/55/1039561755.db2.gz GVROORIDCBPZTE-RTBURBONSA-N 1 0 344.386 4.052 20 5 EIBDRO CCCC[C@H](CC)C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000514094505 1039601997 /nfs/dbraw/zinc/60/19/97/1039601997.db2.gz NMSVTCFISCNSHA-YJBOKZPZSA-N 1 0 344.459 4.224 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)c(F)c1 ZINC000478383220 1039730558 /nfs/dbraw/zinc/73/05/58/1039730558.db2.gz JLFWHGGBSOBSPR-ZWNOBZJWSA-N 1 0 334.313 4.192 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000481817869 1039839147 /nfs/dbraw/zinc/83/91/47/1039839147.db2.gz TWBOOAGZNNGRDQ-HUUCEWRRSA-N 1 0 344.386 4.168 20 5 EIBDRO CC[NH+](CC)Cc1ccccc1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000434955484 1039957127 /nfs/dbraw/zinc/95/71/27/1039957127.db2.gz PYBLBJKFSAQBBM-UHFFFAOYSA-N 1 0 348.834 4.097 20 5 EIBDRO CC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCCC1 ZINC000159417522 1039995259 /nfs/dbraw/zinc/99/52/59/1039995259.db2.gz MYPSURBFJLTAOI-UHFFFAOYSA-N 1 0 327.222 4.122 20 5 EIBDRO O=[N+]([O-])c1cccc(F)c1CN1CC=C(c2ccc(F)cc2)CC1 ZINC000505606282 1040077005 /nfs/dbraw/zinc/07/70/05/1040077005.db2.gz HFFMWLFPFUWVIH-UHFFFAOYSA-N 1 0 330.334 4.162 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(CN3CCC=C(c4ccccc4)C3)nc2c1 ZINC000551405576 1040266602 /nfs/dbraw/zinc/26/66/02/1040266602.db2.gz UIDBMRHFFHEWOA-UHFFFAOYSA-N 1 0 335.363 4.025 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000029824792 1040281387 /nfs/dbraw/zinc/28/13/87/1040281387.db2.gz JHNTYJJVLQSOBG-OAHLLOKOSA-N 1 0 337.379 4.116 20 5 EIBDRO CC(=O)c1cc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000553556771 1040297313 /nfs/dbraw/zinc/29/73/13/1040297313.db2.gz OHSBBMFXNMMQIF-KRWDZBQOSA-N 1 0 345.443 4.006 20 5 EIBDRO CC(F)(F)c1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000514949091 1040389088 /nfs/dbraw/zinc/38/90/88/1040389088.db2.gz BAUGMWDGXVXHSZ-INIZCTEOSA-N 1 0 332.350 4.484 20 5 EIBDRO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000482641279 1040402313 /nfs/dbraw/zinc/40/23/13/1040402313.db2.gz KJPHVISLVBDNCE-KXBFYZLASA-N 1 0 327.428 4.382 20 5 EIBDRO O=[N+]([O-])c1ccc(NCc2cccc(C[NH+]3CCCC3)c2)c(Cl)c1 ZINC000515022342 1040424302 /nfs/dbraw/zinc/42/43/02/1040424302.db2.gz PKRCGCZIKIYVCU-UHFFFAOYSA-N 1 0 345.830 4.456 20 5 EIBDRO CCOc1ccc(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)cc1F ZINC000152799738 1040442489 /nfs/dbraw/zinc/44/24/89/1040442489.db2.gz PKUPKAZWFDTRIV-KRWDZBQOSA-N 1 0 332.375 4.374 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)C1CC1 ZINC000482892532 1040537757 /nfs/dbraw/zinc/53/77/57/1040537757.db2.gz PWROYWNSGBANGT-ICSRJNTNSA-N 1 0 336.435 4.236 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]C2(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000553845755 1040583882 /nfs/dbraw/zinc/58/38/82/1040583882.db2.gz BYNYCDJMCXGWFL-AWEZNQCLSA-N 1 0 326.396 4.333 20 5 EIBDRO CC(C)C[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000539633922 1040624457 /nfs/dbraw/zinc/62/44/57/1040624457.db2.gz AQBRBBFWOFGJOR-SJORKVTESA-N 1 0 334.460 4.402 20 5 EIBDRO Cc1csc(CCCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000160664870 1040659544 /nfs/dbraw/zinc/65/95/44/1040659544.db2.gz AOIJOIWNFLWMKZ-AWEZNQCLSA-N 1 0 333.457 4.342 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000483127464 1040720159 /nfs/dbraw/zinc/72/01/59/1040720159.db2.gz FILJMGVOJHCZDL-WMZOPIPTSA-N 1 0 339.439 4.223 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000515433398 1040759054 /nfs/dbraw/zinc/75/90/54/1040759054.db2.gz STHQZJRDWQLFQW-BPAFIMBUSA-N 1 0 338.407 4.092 20 5 EIBDRO CC[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000193023897 1040791792 /nfs/dbraw/zinc/79/17/92/1040791792.db2.gz HWOGXLYTQZPBDK-QZTJIDSGSA-N 1 0 343.427 4.066 20 5 EIBDRO CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC001167960098 1040803867 /nfs/dbraw/zinc/80/38/67/1040803867.db2.gz SCCZYVQSLMTJLU-DLBZAZTESA-N 1 0 338.423 4.150 20 5 EIBDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000515539442 1040840315 /nfs/dbraw/zinc/84/03/15/1040840315.db2.gz PEMFRHBZABHAOW-LJQANCHMSA-N 1 0 326.396 4.249 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](C)Oc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000483619126 1040918091 /nfs/dbraw/zinc/91/80/91/1040918091.db2.gz GQIFPMNEHPJJEA-TZMCWYRMSA-N 1 0 332.375 4.160 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cn[nH]c1 ZINC000537953762 1040921671 /nfs/dbraw/zinc/92/16/71/1040921671.db2.gz HGKORRXPAINBLL-VXGBXAGGSA-N 1 0 342.424 4.458 20 5 EIBDRO COc1ccc(C[C@@H](C)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1F ZINC000483637974 1040938608 /nfs/dbraw/zinc/93/86/08/1040938608.db2.gz IODRTYZDENUHAA-CYBMUJFWSA-N 1 0 346.402 4.019 20 5 EIBDRO COc1cccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000537976650 1040945428 /nfs/dbraw/zinc/94/54/28/1040945428.db2.gz FHXBKIBZSNBHDQ-CABCVRRESA-N 1 0 328.412 4.194 20 5 EIBDRO Cc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000483687095 1040955996 /nfs/dbraw/zinc/95/59/96/1040955996.db2.gz RNEJAKPXWSDUFW-YSGRDPCXSA-N 1 0 340.423 4.474 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000537991384 1040970806 /nfs/dbraw/zinc/97/08/06/1040970806.db2.gz NDJPWVPQFVBUIE-UONOGXRCSA-N 1 0 344.411 4.414 20 5 EIBDRO COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000537971904 1040975909 /nfs/dbraw/zinc/97/59/09/1040975909.db2.gz MFXBITFMQGCACB-AWEZNQCLSA-N 1 0 328.412 4.232 20 5 EIBDRO COc1ccc([C@H](C)CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000483761633 1041002752 /nfs/dbraw/zinc/00/27/52/1041002752.db2.gz XXUCXAVHYDNTGU-HUUCEWRRSA-N 1 0 328.412 4.448 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](c2ccccn2)C2CC2)cc1[N+](=O)[O-] ZINC000903339143 1041018091 /nfs/dbraw/zinc/01/80/91/1041018091.db2.gz LGRPELTUGNMJRJ-BFUOFWGJSA-N 1 0 341.411 4.190 20 5 EIBDRO C[C@H]([NH2+]CCCO[C@@H](C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000480172535 1041034335 /nfs/dbraw/zinc/03/43/35/1041034335.db2.gz NJEJOSQIJWCCEM-HOTGVXAUSA-N 1 0 328.412 4.413 20 5 EIBDRO COCC(C)(C)CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000554373880 1041058154 /nfs/dbraw/zinc/05/81/54/1041058154.db2.gz MZAOSFZBVCZVQG-AEFFLSMTSA-N 1 0 348.487 4.348 20 5 EIBDRO CC(C)[C@@H](CO)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000554372514 1041059433 /nfs/dbraw/zinc/05/94/33/1041059433.db2.gz MSMAWPUUVDSWBC-ZIAGYGMSSA-N 1 0 348.468 4.238 20 5 EIBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000540055680 1041076048 /nfs/dbraw/zinc/07/60/48/1041076048.db2.gz KARZZHQZLLMPKP-HIFRSBDPSA-N 1 0 329.400 4.055 20 5 EIBDRO CC[NH+](CC)[C@H](CNc1cc(OC)ccc1[N+](=O)[O-])c1ccsc1 ZINC000462921124 1041088459 /nfs/dbraw/zinc/08/84/59/1041088459.db2.gz YVBXKAMBHZOERG-QGZVFWFLSA-N 1 0 349.456 4.160 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc3c(cccc3F)[nH]2)cc1[N+](=O)[O-] ZINC000436311705 1041098431 /nfs/dbraw/zinc/09/84/31/1041098431.db2.gz UAPPSXXFRBVJAO-GFCCVEGCSA-N 1 0 327.359 4.374 20 5 EIBDRO CC[C@H](CSC)[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000538194824 1041159255 /nfs/dbraw/zinc/15/92/55/1041159255.db2.gz LUJJQCBHNIWYNJ-CHWSQXEVSA-N 1 0 328.503 4.197 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000540159612 1041190875 /nfs/dbraw/zinc/19/08/75/1041190875.db2.gz AXQQMJLIGDZHHP-WCQYABFASA-N 1 0 328.359 4.222 20 5 EIBDRO CCC[C@H]([NH2+]Cc1ccc(OC)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000540162713 1041223700 /nfs/dbraw/zinc/22/37/00/1041223700.db2.gz JVHGKBVYULEYSB-SFHVURJKSA-N 1 0 332.375 4.374 20 5 EIBDRO CC[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1F ZINC000484467413 1041245059 /nfs/dbraw/zinc/24/50/59/1041245059.db2.gz NZOVSNVKWOJWAM-XJKSGUPXSA-N 1 0 332.375 4.242 20 5 EIBDRO COC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1 ZINC000540185649 1041253525 /nfs/dbraw/zinc/25/35/25/1041253525.db2.gz WHJJIZYRWMKDJR-GUYCJALGSA-N 1 0 332.375 4.081 20 5 EIBDRO COc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000463045895 1041274689 /nfs/dbraw/zinc/27/46/89/1041274689.db2.gz YMMBKAUVFMZFCG-OLZOCXBDSA-N 1 0 346.349 4.156 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000538460111 1041364705 /nfs/dbraw/zinc/36/47/05/1041364705.db2.gz SWEIXGIQYIVURR-CJNGLKHVSA-N 1 0 345.830 4.178 20 5 EIBDRO CC(C)[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccnc1 ZINC000554740790 1041373188 /nfs/dbraw/zinc/37/31/88/1041373188.db2.gz IYYVSQCWEODDBE-LJQANCHMSA-N 1 0 338.411 4.001 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000516089455 1041400468 /nfs/dbraw/zinc/40/04/68/1041400468.db2.gz XHVFHDRUABTSEJ-IFXJQAMLSA-N 1 0 348.406 4.119 20 5 EIBDRO CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000538581198 1041432997 /nfs/dbraw/zinc/43/29/97/1041432997.db2.gz KJULLAAIIBAZFN-IPMKNSEASA-N 1 0 346.471 4.099 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)cc1 ZINC000480643664 1041442580 /nfs/dbraw/zinc/44/25/80/1041442580.db2.gz OJRRSFHMBIKUBG-UHFFFAOYSA-N 1 0 344.317 4.423 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)cc1 ZINC000540424454 1041451025 /nfs/dbraw/zinc/45/10/25/1041451025.db2.gz NVJIOYNFIGQTNG-UHFFFAOYSA-N 1 0 332.350 4.432 20 5 EIBDRO C[C@H](C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000480659627 1041459438 /nfs/dbraw/zinc/45/94/38/1041459438.db2.gz NIHQGUBWPACUFB-MLGOLLRUSA-N 1 0 338.329 4.472 20 5 EIBDRO C[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000480670203 1041463234 /nfs/dbraw/zinc/46/32/34/1041463234.db2.gz YVNASPXDEFRLOJ-DYEKYZERSA-N 1 0 330.350 4.094 20 5 EIBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2COc3ccccc32)c2cc([N+](=O)[O-])ccc21 ZINC000516268541 1041490616 /nfs/dbraw/zinc/49/06/16/1041490616.db2.gz IFMJNVCOMGYOOP-ACJLOTCBSA-N 1 0 338.407 4.083 20 5 EIBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538726801 1041498291 /nfs/dbraw/zinc/49/82/91/1041498291.db2.gz YJQCWHAHASNPTR-LSDHHAIUSA-N 1 0 342.443 4.006 20 5 EIBDRO COCCC1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000480743089 1041514997 /nfs/dbraw/zinc/51/49/97/1041514997.db2.gz YQAVVPCYGLYYCW-KRWDZBQOSA-N 1 0 348.487 4.493 20 5 EIBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463451746 1041572739 /nfs/dbraw/zinc/57/27/39/1041572739.db2.gz OHEMVRDVGQVRER-OLZOCXBDSA-N 1 0 346.349 4.027 20 5 EIBDRO COc1ccc(C2([NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000540722984 1041619583 /nfs/dbraw/zinc/61/95/83/1041619583.db2.gz FOWQPNZWBHDANA-CQSZACIVSA-N 1 0 326.396 4.252 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000540753941 1041642365 /nfs/dbraw/zinc/64/23/65/1041642365.db2.gz STYKFZHABZBQAJ-AWEZNQCLSA-N 1 0 328.387 4.334 20 5 EIBDRO CCSCC[C@@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000464051248 1041836650 /nfs/dbraw/zinc/83/66/50/1041836650.db2.gz ZUPYGQWSDHVGDC-CYBMUJFWSA-N 1 0 334.441 4.476 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000464053022 1041849015 /nfs/dbraw/zinc/84/90/15/1041849015.db2.gz QUGZZGMIVNYEJE-KRWDZBQOSA-N 1 0 346.402 4.099 20 5 EIBDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccccc3C)C2)c([N+](=O)[O-])cc1F ZINC000464097236 1041861375 /nfs/dbraw/zinc/86/13/75/1041861375.db2.gz FNGDJRPMUQGNFT-CQSZACIVSA-N 1 0 344.386 4.040 20 5 EIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(Nc2ncc([N+](=O)[O-])s2)cc1 ZINC000443512439 1041869570 /nfs/dbraw/zinc/86/95/70/1041869570.db2.gz UFZQIDOABQBRQO-GFCCVEGCSA-N 1 0 332.429 4.169 20 5 EIBDRO C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000541557320 1042012560 /nfs/dbraw/zinc/01/25/60/1042012560.db2.gz DMOUOXQMZZYLOX-ZIAGYGMSSA-N 1 0 346.452 4.401 20 5 EIBDRO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000467366660 1042036561 /nfs/dbraw/zinc/03/65/61/1042036561.db2.gz WGLGBDWHTHDHKT-ZWKOTPCHSA-N 1 0 339.439 4.157 20 5 EIBDRO CCc1ccc(C(C)(C)[NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])cc1 ZINC000464496299 1042048568 /nfs/dbraw/zinc/04/85/68/1042048568.db2.gz UYSKJAXYPUDHAP-UHFFFAOYSA-N 1 0 346.402 4.330 20 5 EIBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000464731339 1042135423 /nfs/dbraw/zinc/13/54/23/1042135423.db2.gz FDWZAXAMDAQFBP-XJKSGUPXSA-N 1 0 344.415 4.045 20 5 EIBDRO C[C@H](c1ccc(F)cc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464776814 1042158705 /nfs/dbraw/zinc/15/87/05/1042158705.db2.gz OVELWJKHGPQDSB-CQSZACIVSA-N 1 0 344.386 4.338 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000464776693 1042159034 /nfs/dbraw/zinc/15/90/34/1042159034.db2.gz SGWBXOYSZQJFLL-QGZVFWFLSA-N 1 0 342.464 4.252 20 5 EIBDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CS1 ZINC000426005208 1042179824 /nfs/dbraw/zinc/17/98/24/1042179824.db2.gz XMISXVQTARWOQR-GXTWGEPZSA-N 1 0 348.390 4.233 20 5 EIBDRO CC(C)CCc1nc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000271775900 1042364563 /nfs/dbraw/zinc/36/45/63/1042364563.db2.gz RJBGHTHBHHZDQO-ZDUSSCGKSA-N 1 0 333.457 4.491 20 5 EIBDRO CC(C)c1ccc(C[NH2+]C[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000518272855 1042447569 /nfs/dbraw/zinc/44/75/69/1042447569.db2.gz ZYOIFXARCFGPSS-FQEVSTJZSA-N 1 0 341.455 4.111 20 5 EIBDRO Cc1nc(-c2ccc(C[NH2+]Cc3cccc([N+](=O)[O-])c3)cc2)cs1 ZINC000518278358 1042449745 /nfs/dbraw/zinc/44/97/45/1042449745.db2.gz PALRHRRZYKYARB-UHFFFAOYSA-N 1 0 339.420 4.317 20 5 EIBDRO CCc1ccc([C@H]([NH2+]CC(C)(C)COC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000426293132 1042525316 /nfs/dbraw/zinc/52/53/16/1042525316.db2.gz QJJMGPICIVUHHI-GOSISDBHSA-N 1 0 346.427 4.102 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)[C@@H]1OCCc2sccc21)c1cccc([N+](=O)[O-])c1 ZINC000426310661 1042544344 /nfs/dbraw/zinc/54/43/44/1042544344.db2.gz OTCIELBVJQNASQ-PUECVXPYSA-N 1 0 346.452 4.400 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000426342705 1042575749 /nfs/dbraw/zinc/57/57/49/1042575749.db2.gz NFWUPJIKJCCULD-VEVIJQCQSA-N 1 0 346.452 4.318 20 5 EIBDRO COc1ccc(C[N@H+](Cc2ccccc2C)C2CC2)cc1[N+](=O)[O-] ZINC000506548393 1042588786 /nfs/dbraw/zinc/58/87/86/1042588786.db2.gz VKCGRCLNYJOHGV-UHFFFAOYSA-N 1 0 326.396 4.076 20 5 EIBDRO CCOc1ccccc1CN(C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000492375742 1042623862 /nfs/dbraw/zinc/62/38/62/1042623862.db2.gz KOFDWLRRORSOOV-UHFFFAOYSA-N 1 0 344.411 4.024 20 5 EIBDRO COc1ccc(C[N@H+]([C@H](C)c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000506591940 1042651624 /nfs/dbraw/zinc/65/16/24/1042651624.db2.gz DOARZZYQQWKWBK-CQSZACIVSA-N 1 0 326.396 4.329 20 5 EIBDRO CCOc1cc(C[N@H+](C)[C@@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000492460714 1042664581 /nfs/dbraw/zinc/66/45/81/1042664581.db2.gz IWANTWILZUJNNW-QGZVFWFLSA-N 1 0 326.396 4.113 20 5 EIBDRO COc1cc(C[NH2+][C@@H](CC(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492728421 1042732486 /nfs/dbraw/zinc/73/24/86/1042732486.db2.gz OCCDXALORNZVDQ-KRWDZBQOSA-N 1 0 328.412 4.480 20 5 EIBDRO CCOc1cc(C[N@H+](C)[C@H]2CC[C@@H](SCC)C2)ccc1[N+](=O)[O-] ZINC000492776076 1042746848 /nfs/dbraw/zinc/74/68/48/1042746848.db2.gz TZRWPXUVUQTXML-LSDHHAIUSA-N 1 0 338.473 4.100 20 5 EIBDRO CCOc1cc(C[NH2+]C(C)(C)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000492777757 1042748407 /nfs/dbraw/zinc/74/84/07/1042748407.db2.gz ZNMXQADWYRAAPS-UHFFFAOYSA-N 1 0 332.375 4.158 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC2CCSCC2)c2ccccc2)c1 ZINC000493204031 1042842634 /nfs/dbraw/zinc/84/26/34/1042842634.db2.gz KAQRBDZXSXVNCC-IBGZPJMESA-N 1 0 342.464 4.417 20 5 EIBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](O)c1ccc(C)cc1 ZINC000761512776 1042873572 /nfs/dbraw/zinc/87/35/72/1042873572.db2.gz WTEAOKUQKXFRRZ-GOSISDBHSA-N 1 0 348.830 4.112 20 5 EIBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000766038856 1043141179 /nfs/dbraw/zinc/14/11/79/1043141179.db2.gz RCQFWYUGCDGQCN-IFXJQAMLSA-N 1 0 342.439 4.277 20 5 EIBDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602639719 1043154825 /nfs/dbraw/zinc/15/48/25/1043154825.db2.gz YUWCSQMIGXRAHD-HNNXBMFYSA-N 1 0 346.349 4.005 20 5 EIBDRO C[C@H](CCO)N(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000542976471 1043210094 /nfs/dbraw/zinc/21/00/94/1043210094.db2.gz YUNJNDDWFHFVRR-CQSZACIVSA-N 1 0 348.830 4.021 20 5 EIBDRO CCC[C@@H]([NH2+][C@@H]1CCCc2nc(C)ncc21)c1cccc([N+](=O)[O-])c1 ZINC000766045157 1043222250 /nfs/dbraw/zinc/22/22/50/1043222250.db2.gz RUERLENMLHFOFD-IEBWSBKVSA-N 1 0 340.427 4.202 20 5 EIBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000219076261 1043368075 /nfs/dbraw/zinc/36/80/75/1043368075.db2.gz FYYAEWMWKNBEFH-CQSZACIVSA-N 1 0 330.432 4.065 20 5 EIBDRO Cc1c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000438993667 1043741985 /nfs/dbraw/zinc/74/19/85/1043741985.db2.gz ACUJEQHOLGEVQH-FPWFTKFVSA-N 1 0 346.471 4.055 20 5 EIBDRO Cc1c(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000521424606 1043762985 /nfs/dbraw/zinc/76/29/85/1043762985.db2.gz OFAMYUXZNCCSSF-GOSISDBHSA-N 1 0 328.387 4.249 20 5 EIBDRO C[C@H](CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])OCc1ccccc1 ZINC000429235129 1043816227 /nfs/dbraw/zinc/81/62/27/1043816227.db2.gz HZWYYPWQLXJEOG-MRXNPFEDSA-N 1 0 342.439 4.415 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000173329834 1043894743 /nfs/dbraw/zinc/89/47/43/1043894743.db2.gz SAZDNMYANPDYNI-AWEZNQCLSA-N 1 0 341.411 4.162 20 5 EIBDRO C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000173376052 1043931424 /nfs/dbraw/zinc/93/14/24/1043931424.db2.gz NTOLBAHXZDOPRI-CYBMUJFWSA-N 1 0 345.468 4.214 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1cccc(-n2cccn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173457832 1043974892 /nfs/dbraw/zinc/97/48/92/1043974892.db2.gz GMDQZGLMDJGLTM-HUUCEWRRSA-N 1 0 336.395 4.192 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000732989097 1044062349 /nfs/dbraw/zinc/06/23/49/1044062349.db2.gz ODGIDJHNYOSFBU-GOSISDBHSA-N 1 0 348.349 4.089 20 5 EIBDRO CC(C)([NH2+]Cc1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000080347103 1044156607 /nfs/dbraw/zinc/15/66/07/1044156607.db2.gz VMHXFMYTNAWALT-UHFFFAOYSA-N 1 0 336.338 4.221 20 5 EIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ncc(-c2ccccc2)o1 ZINC000173986807 1044206157 /nfs/dbraw/zinc/20/61/57/1044206157.db2.gz SOXFRNJACNQTLW-CQSZACIVSA-N 1 0 337.379 4.143 20 5 EIBDRO COC(C)(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000174594834 1044291742 /nfs/dbraw/zinc/29/17/42/1044291742.db2.gz YCIFGVSVXXYVQJ-UHFFFAOYSA-N 1 0 338.791 4.023 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)cs1 ZINC000174592403 1044291856 /nfs/dbraw/zinc/29/18/56/1044291856.db2.gz HZZSKLJSOBYORE-UHFFFAOYSA-N 1 0 335.816 4.123 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)cc1 ZINC000466479633 1044586835 /nfs/dbraw/zinc/58/68/35/1044586835.db2.gz ZFDYYAKZNAKONG-UHFFFAOYSA-N 1 0 334.778 4.423 20 5 EIBDRO CCCNc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OCC)cc1 ZINC000193150738 1044620038 /nfs/dbraw/zinc/62/00/38/1044620038.db2.gz HCHSSNCVXFZVJR-UHFFFAOYSA-N 1 0 343.427 4.105 20 5 EIBDRO COC[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000093337467 1044831923 /nfs/dbraw/zinc/83/19/23/1044831923.db2.gz BXYJKGNHKYEUMC-AWEZNQCLSA-N 1 0 346.452 4.182 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(c3ccc(O)cc3)CC2)c1 ZINC000735491975 1044832444 /nfs/dbraw/zinc/83/24/44/1044832444.db2.gz RLSYIRQZIWMEII-UHFFFAOYSA-N 1 0 346.814 4.333 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)CCOCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000389933664 1044846805 /nfs/dbraw/zinc/84/68/05/1044846805.db2.gz GQTGDRJWBBQOFE-JKSUJKDBSA-N 1 0 328.412 4.241 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC000716233012 1044857129 /nfs/dbraw/zinc/85/71/29/1044857129.db2.gz TYZRNLKQBIXQFC-LPHOPBHVSA-N 1 0 339.439 4.226 20 5 EIBDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000736627157 1044959838 /nfs/dbraw/zinc/95/98/38/1044959838.db2.gz CLFIXOWMOIREBE-TZMCWYRMSA-N 1 0 332.350 4.251 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2nc(-c3ccccc3)cs2)cc1 ZINC000392205279 1045027363 /nfs/dbraw/zinc/02/73/63/1045027363.db2.gz HCKWODXEORCZMG-UHFFFAOYSA-N 1 0 339.420 4.051 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCCOc2ccccc21 ZINC000495419873 1045089962 /nfs/dbraw/zinc/08/99/62/1045089962.db2.gz CYURBEKNYVPQNP-INIZCTEOSA-N 1 0 346.814 4.294 20 5 EIBDRO COc1cc(Cl)ccc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000156817851 1045104446 /nfs/dbraw/zinc/10/44/46/1045104446.db2.gz OYRURPBXBLCBNJ-LBPRGKRZSA-N 1 0 334.803 4.416 20 5 EIBDRO CS[C@@H]1CCCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000302055799 1045156851 /nfs/dbraw/zinc/15/68/51/1045156851.db2.gz APEXOWLCGHFGDD-CQSZACIVSA-N 1 0 331.441 4.173 20 5 EIBDRO CCc1noc(CC)c1CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302093365 1045160473 /nfs/dbraw/zinc/16/04/73/1045160473.db2.gz QSIVAULETOWYCX-UHFFFAOYSA-N 1 0 340.383 4.176 20 5 EIBDRO Cc1cc(N2CCC(OCC(C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302166492 1045166225 /nfs/dbraw/zinc/16/62/25/1045166225.db2.gz KXPRGYWTIRFFJX-UHFFFAOYSA-N 1 0 343.427 4.093 20 5 EIBDRO O=[N+]([O-])c1ccccc1CN(Cc1ccc(OC(F)F)cc1)C1CC1 ZINC000215664123 1045213443 /nfs/dbraw/zinc/21/34/43/1045213443.db2.gz YBSABDRVRXXENZ-UHFFFAOYSA-N 1 0 348.349 4.361 20 5 EIBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1F ZINC000301064147 1045228724 /nfs/dbraw/zinc/22/87/24/1045228724.db2.gz BZLOUWJWVUHXDJ-UHFFFAOYSA-N 1 0 331.391 4.186 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1c(C)noc1C ZINC000611248492 1045266240 /nfs/dbraw/zinc/26/62/40/1045266240.db2.gz OBONVKNWLLGKRE-FZMZJTMJSA-N 1 0 349.456 4.421 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1c(C)noc1C ZINC000611248491 1045266558 /nfs/dbraw/zinc/26/65/58/1045266558.db2.gz OBONVKNWLLGKRE-BXUZGUMPSA-N 1 0 349.456 4.421 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)c1ccncc1 ZINC000611248613 1045267355 /nfs/dbraw/zinc/26/73/55/1045267355.db2.gz KUVPOKDGVKONIB-GOEBONIOSA-N 1 0 345.468 4.254 20 5 EIBDRO CC[N@@H+](Cc1ccoc1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000611267948 1045271034 /nfs/dbraw/zinc/27/10/34/1045271034.db2.gz QPBJFXQDLSPFSG-UHFFFAOYSA-N 1 0 326.352 4.470 20 5 EIBDRO CCC[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611335879 1045280668 /nfs/dbraw/zinc/28/06/68/1045280668.db2.gz KEFMPLHFZPSKNX-RYGJVYDSSA-N 1 0 342.439 4.190 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611335882 1045281753 /nfs/dbraw/zinc/28/17/53/1045281753.db2.gz KEFMPLHFZPSKNX-YSSFQJQWSA-N 1 0 342.439 4.190 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCCC(=O)OC(C)(C)C ZINC000611366664 1045288962 /nfs/dbraw/zinc/28/89/62/1045288962.db2.gz GRXAGWHVWGBYMW-AWEZNQCLSA-N 1 0 336.432 4.066 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCCO2 ZINC000193901256 1045538908 /nfs/dbraw/zinc/53/89/08/1045538908.db2.gz KHUBLVLFPMAGAD-UONOGXRCSA-N 1 0 342.395 4.168 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cc1ccco1 ZINC000768092319 1045709566 /nfs/dbraw/zinc/70/95/66/1045709566.db2.gz XJIVRXNTBVLIBZ-KGLIPLIRSA-N 1 0 334.441 4.279 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cc1ccco1 ZINC000768092322 1045709782 /nfs/dbraw/zinc/70/97/82/1045709782.db2.gz XJIVRXNTBVLIBZ-ZIAGYGMSSA-N 1 0 334.441 4.279 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2cncc3ccccc32)C2CC2)cc1 ZINC000768336741 1045793167 /nfs/dbraw/zinc/79/31/67/1045793167.db2.gz LLXVEUHEOWSOCQ-UHFFFAOYSA-N 1 0 333.391 4.308 20 5 EIBDRO CC[N@H+](CCc1ccccn1)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000769032127 1045871530 /nfs/dbraw/zinc/87/15/30/1045871530.db2.gz BALFLGMWSQKLFP-UHFFFAOYSA-N 1 0 327.428 4.178 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]CCc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC001170295658 1045980432 /nfs/dbraw/zinc/98/04/32/1045980432.db2.gz DDZQEDGLNUTCRK-ZDUSSCGKSA-N 1 0 348.830 4.020 20 5 EIBDRO C[C@H]1CCC[C@@](CNc2ccc([N+](=O)[O-])c3cnccc23)([NH+](C)C)C1 ZINC000326532383 1045982463 /nfs/dbraw/zinc/98/24/63/1045982463.db2.gz WWRWPPZAULVEMG-IFXJQAMLSA-N 1 0 342.443 4.065 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCc3ccc(C)cc32)c([N+](=O)[O-])c1 ZINC001170305846 1045984552 /nfs/dbraw/zinc/98/45/52/1045984552.db2.gz QQRARCSETBUKLS-IFXJQAMLSA-N 1 0 340.423 4.120 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC001170315277 1045996785 /nfs/dbraw/zinc/99/67/85/1045996785.db2.gz WKEIFNWOCOHWPQ-ACJLOTCBSA-N 1 0 346.402 4.414 20 5 EIBDRO CCC[C@@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1ccncc1 ZINC001170317252 1045997272 /nfs/dbraw/zinc/99/72/72/1045997272.db2.gz DGSAIXQHVMPADA-KBXCAEBGSA-N 1 0 343.427 4.060 20 5 EIBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCc3ccccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170327241 1045998288 /nfs/dbraw/zinc/99/82/88/1045998288.db2.gz GILACEBAQFNVAX-CABCVRRESA-N 1 0 340.423 4.154 20 5 EIBDRO COc1ccc(C[C@H](C)[N@H+]2Cc3ccccc3[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170329596 1046003982 /nfs/dbraw/zinc/00/39/82/1046003982.db2.gz SBAYMLUSJUNZFY-CABCVRRESA-N 1 0 340.423 4.154 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCCc2ccccc2CC1 ZINC001170333612 1046006839 /nfs/dbraw/zinc/00/68/39/1046006839.db2.gz QFDMXNYBDKHFJA-UHFFFAOYSA-N 1 0 330.815 4.239 20 5 EIBDRO CC[N@H+](Cc1ccccc1F)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170352849 1046007311 /nfs/dbraw/zinc/00/73/11/1046007311.db2.gz RUELHWXLLKFLSJ-AWEZNQCLSA-N 1 0 346.402 4.196 20 5 EIBDRO COc1ccc(C[C@@H](C)[N@H+](C)[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC001170355584 1046011952 /nfs/dbraw/zinc/01/19/52/1046011952.db2.gz KVTFLXKAVYOARK-KUHUBIRLSA-N 1 0 340.423 4.154 20 5 EIBDRO COc1ccc(C[C@@H](C)[N@H+](C)Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC001170346377 1046020076 /nfs/dbraw/zinc/02/00/76/1046020076.db2.gz NLLOVJXNIJFKLR-CYBMUJFWSA-N 1 0 348.830 4.320 20 5 EIBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC001170348147 1046022852 /nfs/dbraw/zinc/02/28/52/1046022852.db2.gz VGIUJLFQDJMDKK-HNAYVOBHSA-N 1 0 340.423 4.372 20 5 EIBDRO Cc1ccc(CCC[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000792779435 1046069173 /nfs/dbraw/zinc/06/91/73/1046069173.db2.gz ZMFBPVHQIOPVDK-UHFFFAOYSA-N 1 0 333.819 4.016 20 5 EIBDRO CC(C)(C)[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792870150 1046083594 /nfs/dbraw/zinc/08/35/94/1046083594.db2.gz HZAOZQWPCPLNFR-UHFFFAOYSA-N 1 0 343.383 4.304 20 5 EIBDRO CC(C)(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000792874513 1046088136 /nfs/dbraw/zinc/08/81/36/1046088136.db2.gz VXOSZUYWKOWSFQ-KRWDZBQOSA-N 1 0 343.383 4.380 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C[C@@H](O)c1ccccc1 ZINC000763397021 1046126784 /nfs/dbraw/zinc/12/67/84/1046126784.db2.gz HEKOEWKDBCGSCG-YZVOILCLSA-N 1 0 328.412 4.066 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCc3ccc(F)c(F)c3)C2)cc1 ZINC001170424724 1046129008 /nfs/dbraw/zinc/12/90/08/1046129008.db2.gz PRAJIMGJERDFQQ-INIZCTEOSA-N 1 0 346.377 4.295 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)cc1 ZINC001170425268 1046138025 /nfs/dbraw/zinc/13/80/25/1046138025.db2.gz SJSVDSTYYCBWPB-SFHVURJKSA-N 1 0 335.407 4.456 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C[C@@H](O)c1cccs1 ZINC000763411140 1046139805 /nfs/dbraw/zinc/13/98/05/1046139805.db2.gz AUGUWRLNIUROCV-HEHGZKQESA-N 1 0 334.441 4.128 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000154183281 1046357039 /nfs/dbraw/zinc/35/70/39/1046357039.db2.gz YZOJWAQRJFWNSF-KBPBESRZSA-N 1 0 344.411 4.332 20 5 EIBDRO C[NH+]1C(C)(C)CC(Nc2ccc3cnccc3c2[N+](=O)[O-])CC1(C)C ZINC001170451475 1046503539 /nfs/dbraw/zinc/50/35/39/1046503539.db2.gz NTQRUONEOGZHOG-UHFFFAOYSA-N 1 0 342.443 4.206 20 5 EIBDRO CC(C)([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCOCC1 ZINC000785611133 1046725920 /nfs/dbraw/zinc/72/59/20/1046725920.db2.gz KTSZUYGMYYUGOJ-UHFFFAOYSA-N 1 0 344.411 4.150 20 5 EIBDRO CCC[C@H]([NH2+]CCC[C@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000536848298 1046819623 /nfs/dbraw/zinc/81/96/23/1046819623.db2.gz VLPSOHZSQRWKEV-AYOQOUSVSA-N 1 0 334.460 4.357 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)cc2C)cc1[N+](=O)[O-] ZINC000536850593 1046821441 /nfs/dbraw/zinc/82/14/41/1046821441.db2.gz GJUQQLUVBYLOLK-CQSZACIVSA-N 1 0 344.411 4.161 20 5 EIBDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000459640568 1046830321 /nfs/dbraw/zinc/83/03/21/1046830321.db2.gz LPCKUIXEPWORGX-ZDUSSCGKSA-N 1 0 333.819 4.144 20 5 EIBDRO C[C@H](CCCc1cccnc1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000459644710 1046832413 /nfs/dbraw/zinc/83/24/13/1046832413.db2.gz FQOMFIWUXCZYQQ-BDJZEXMMSA-N 1 0 325.412 4.004 20 5 EIBDRO CO[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000536874678 1046838395 /nfs/dbraw/zinc/83/83/95/1046838395.db2.gz FHFSZCVPACQBNG-SJCJKPOMSA-N 1 0 334.803 4.287 20 5 EIBDRO CCC[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC1 ZINC000459802071 1046892819 /nfs/dbraw/zinc/89/28/19/1046892819.db2.gz LZJIAXIAOVSMGJ-BLLLJJGKSA-N 1 0 344.415 4.264 20 5 EIBDRO CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000746672755 1046985292 /nfs/dbraw/zinc/98/52/92/1046985292.db2.gz IMFVBIHCYDFEGE-GOSISDBHSA-N 1 0 348.830 4.112 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C(C)(C)C ZINC000537291490 1047072756 /nfs/dbraw/zinc/07/27/56/1047072756.db2.gz PVFGDLUKNVZLER-CQSZACIVSA-N 1 0 346.374 4.119 20 5 EIBDRO C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788507303 1047208649 /nfs/dbraw/zinc/20/86/49/1047208649.db2.gz ZENWQNANXPRKPA-JTQLQIEISA-N 1 0 339.317 4.047 20 5 EIBDRO C[N@H+](CCSCc1ccc([N+](=O)[O-])c(F)c1)Cc1ccccc1 ZINC000788508932 1047210669 /nfs/dbraw/zinc/21/06/69/1047210669.db2.gz KIVLZMOTZGJVGD-UHFFFAOYSA-N 1 0 334.416 4.099 20 5 EIBDRO Cc1noc(C)c1CCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788585164 1047238447 /nfs/dbraw/zinc/23/84/47/1047238447.db2.gz ONBQBMIQTQBGDR-GOSISDBHSA-N 1 0 343.427 4.144 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1Cl ZINC000788602806 1047242676 /nfs/dbraw/zinc/24/26/76/1047242676.db2.gz OHQBPJHWLDXGSS-VHSXEESVSA-N 1 0 337.782 4.381 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788643940 1047245744 /nfs/dbraw/zinc/24/57/44/1047245744.db2.gz QZGZLIVQFBTLHW-MGPLVRAMSA-N 1 0 331.803 4.169 20 5 EIBDRO CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788639981 1047257869 /nfs/dbraw/zinc/25/78/69/1047257869.db2.gz DWWSPTMDSJBHTK-UONOGXRCSA-N 1 0 343.427 4.376 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000788667421 1047268471 /nfs/dbraw/zinc/26/84/71/1047268471.db2.gz VREDJYDHLPWKFC-HWPZZCPQSA-N 1 0 335.354 4.257 20 5 EIBDRO C[C@H]([NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788800286 1047305908 /nfs/dbraw/zinc/30/59/08/1047305908.db2.gz HJQLFHIWOJQUMG-MJEQTWJJSA-N 1 0 343.402 4.303 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000122015653 1047412750 /nfs/dbraw/zinc/41/27/50/1047412750.db2.gz SLXVGEBGBDRBKU-KGLIPLIRSA-N 1 0 342.395 4.086 20 5 EIBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](O)c1ccccc1 ZINC000789779467 1047474348 /nfs/dbraw/zinc/47/43/48/1047474348.db2.gz PZHRCFXPUOZYER-QZTJIDSGSA-N 1 0 348.830 4.096 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1cncs1 ZINC000897933224 1047503589 /nfs/dbraw/zinc/50/35/89/1047503589.db2.gz UXOVXVCKKIOFHF-YDHLFZDLSA-N 1 0 331.441 4.113 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H](C)c1nc2ccccc2s1 ZINC000089512107 1047764117 /nfs/dbraw/zinc/76/41/17/1047764117.db2.gz XIWGKOVVINFFRS-CHWSQXEVSA-N 1 0 341.436 4.486 20 5 EIBDRO CCC[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)OCC ZINC001203249373 1048061844 /nfs/dbraw/zinc/06/18/44/1048061844.db2.gz QCYANPTYEMVCAX-AWEZNQCLSA-N 1 0 332.400 4.150 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1Cc2cc(C)ccc2CC1(C)C ZINC001170560280 1048096877 /nfs/dbraw/zinc/09/68/77/1048096877.db2.gz UDDIWQFMDAXTFD-UHFFFAOYSA-N 1 0 340.423 4.249 20 5 EIBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000808793516 1048112005 /nfs/dbraw/zinc/11/20/05/1048112005.db2.gz INPWANHFAAIXGR-BJHJDKERSA-N 1 0 334.313 4.287 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)cc1F ZINC000814667512 1048122706 /nfs/dbraw/zinc/12/27/06/1048122706.db2.gz RYMVBBCXXPDTJM-AWEZNQCLSA-N 1 0 334.778 4.377 20 5 EIBDRO Cc1ccc(C)n1C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000499068374 1048145666 /nfs/dbraw/zinc/14/56/66/1048145666.db2.gz IPKYEKGXYUAMNK-INIZCTEOSA-N 1 0 327.428 4.411 20 5 EIBDRO C[C@H]([NH2+]C[C@H](O)c1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000815081471 1048324086 /nfs/dbraw/zinc/32/40/86/1048324086.db2.gz FSQAPLFMDPOPAM-XOBRGWDASA-N 1 0 336.391 4.132 20 5 EIBDRO CC[NH+](CC)Cc1ccc(CNc2cccc(F)c2[N+](=O)[O-])cc1 ZINC000919961947 1048346920 /nfs/dbraw/zinc/34/69/20/1048346920.db2.gz CFWRJJJTXVBWKL-UHFFFAOYSA-N 1 0 331.391 4.188 20 5 EIBDRO O=[N+]([O-])c1c(F)cccc1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000919962384 1048347655 /nfs/dbraw/zinc/34/76/55/1048347655.db2.gz MZMLCRQNHMPAPM-UHFFFAOYSA-N 1 0 343.402 4.332 20 5 EIBDRO O[C@@H](CC[NH2+]Cc1c2ccccc2cc2ccccc21)C(F)(F)F ZINC000809743211 1048513013 /nfs/dbraw/zinc/51/30/13/1048513013.db2.gz MRMZWHPZYDKXON-SFHVURJKSA-N 1 0 333.353 4.396 20 5 EIBDRO CCOc1ccccc1[C@@H](CC)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815572698 1048536076 /nfs/dbraw/zinc/53/60/76/1048536076.db2.gz KVUOIUUFDMEUKQ-SUMWQHHRSA-N 1 0 343.427 4.378 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627521 1048552089 /nfs/dbraw/zinc/55/20/89/1048552089.db2.gz CJCJGSWRTOUAMX-VXGBXAGGSA-N 1 0 327.375 4.043 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815604323 1048556180 /nfs/dbraw/zinc/55/61/80/1048556180.db2.gz KYWONOFLZINQGP-ZDUSSCGKSA-N 1 0 343.427 4.205 20 5 EIBDRO C[C@@H](CO)[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCCC1 ZINC000809984780 1048590455 /nfs/dbraw/zinc/59/04/55/1048590455.db2.gz ZFDQPUGMPSTFFR-JTQLQIEISA-N 1 0 347.242 4.027 20 5 EIBDRO CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000810043204 1048605431 /nfs/dbraw/zinc/60/54/31/1048605431.db2.gz HUICQTQBHPKYKK-AWEZNQCLSA-N 1 0 326.824 4.028 20 5 EIBDRO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000609432212 1049061829 /nfs/dbraw/zinc/06/18/29/1049061829.db2.gz UGBDGKVVWURTOM-AWEZNQCLSA-N 1 0 346.402 4.196 20 5 EIBDRO CS[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811482109 1049078334 /nfs/dbraw/zinc/07/83/34/1049078334.db2.gz FXRJTKVSFDACIU-WDEREUQCSA-N 1 0 335.256 4.275 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000811501779 1049115729 /nfs/dbraw/zinc/11/57/29/1049115729.db2.gz XESMBODCGPPIJT-MRVPVSSYSA-N 1 0 339.169 4.427 20 5 EIBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000064550818 1049337673 /nfs/dbraw/zinc/33/76/73/1049337673.db2.gz DXHRQCAZEOWTQE-GFCCVEGCSA-N 1 0 337.470 4.042 20 5 EIBDRO COc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000609916145 1049394238 /nfs/dbraw/zinc/39/42/38/1049394238.db2.gz AHUVLXNLCDYKHP-CJNGLKHVSA-N 1 0 344.386 4.121 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000348216544 1049485140 /nfs/dbraw/zinc/48/51/40/1049485140.db2.gz OPSVKQCXJJWAHF-MSOLQXFVSA-N 1 0 348.830 4.413 20 5 EIBDRO C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000348208023 1049493266 /nfs/dbraw/zinc/49/32/66/1049493266.db2.gz RBUTXOQNUQWDTA-PXAZEXFGSA-N 1 0 334.803 4.023 20 5 EIBDRO CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812851314 1049613883 /nfs/dbraw/zinc/61/38/83/1049613883.db2.gz YCJOVMXPRVUHDU-SCLBCKFNSA-N 1 0 348.830 4.192 20 5 EIBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC001171480353 1049732441 /nfs/dbraw/zinc/73/24/41/1049732441.db2.gz QPTASUUJJXDCOI-UHFFFAOYSA-N 1 0 346.814 4.296 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC001171670385 1049774213 /nfs/dbraw/zinc/77/42/13/1049774213.db2.gz DNZMJQAFRRKAJV-UONOGXRCSA-N 1 0 328.387 4.457 20 5 EIBDRO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCc2ccccc21 ZINC001171906879 1049818149 /nfs/dbraw/zinc/81/81/49/1049818149.db2.gz RQZWTOOWFUYJPZ-UHFFFAOYSA-N 1 0 328.387 4.070 20 5 EIBDRO CCn1ccc(C[N@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000616737755 1049915480 /nfs/dbraw/zinc/91/54/80/1049915480.db2.gz NHIRHZYWHPCRDX-UHFFFAOYSA-N 1 0 339.395 4.308 20 5 EIBDRO CC[N@H+](CCC1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1)CC1CC1 ZINC001185922748 1050195466 /nfs/dbraw/zinc/19/54/66/1050195466.db2.gz OAPMVNUOIRXGCB-UHFFFAOYSA-N 1 0 345.487 4.242 20 5 EIBDRO C[N@H+](CCc1cccc(Nc2c(F)cc([N+](=O)[O-])cc2F)c1)C1CC1 ZINC001185958502 1050202634 /nfs/dbraw/zinc/20/26/34/1050202634.db2.gz UBRIMINMLQWSMG-UHFFFAOYSA-N 1 0 347.365 4.253 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1 ZINC001172899176 1050203090 /nfs/dbraw/zinc/20/30/90/1050203090.db2.gz LOFYWEACDMQSDR-KDOFPFPSSA-N 1 0 340.423 4.202 20 5 EIBDRO Cc1ccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c(F)c1F ZINC001172899733 1050203940 /nfs/dbraw/zinc/20/39/40/1050203940.db2.gz CATQIHFHQDSRSU-MRXNPFEDSA-N 1 0 346.377 4.219 20 5 EIBDRO CC(C)CC1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCOCC1 ZINC001172903806 1050205767 /nfs/dbraw/zinc/20/57/67/1050205767.db2.gz JGZXWRAVFLPIOM-GOSISDBHSA-N 1 0 346.471 4.027 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC3(CC(F)C3)CC1)CC2 ZINC001172904540 1050206975 /nfs/dbraw/zinc/20/69/75/1050206975.db2.gz OEPRLIORWVNJFQ-QGZVFWFLSA-N 1 0 332.419 4.056 20 5 EIBDRO C[N@H+](CCc1ccc(F)cc1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914838 1050231822 /nfs/dbraw/zinc/23/18/22/1050231822.db2.gz JYFMYKMISSBPHI-LJQANCHMSA-N 1 0 342.414 4.156 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCc3ccc(F)cc3C1)CC2 ZINC001172914815 1050232577 /nfs/dbraw/zinc/23/25/77/1050232577.db2.gz JLGCVWJYVSAUKC-IBGZPJMESA-N 1 0 340.398 4.040 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC3(CC[C@@H](F)C3)CC1)CC2 ZINC001172919115 1050233912 /nfs/dbraw/zinc/23/39/12/1050233912.db2.gz DPFJLFJYZBEONL-MSOLQXFVSA-N 1 0 346.446 4.446 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@@H]1c1cccnc1)CC2 ZINC001172910380 1050244986 /nfs/dbraw/zinc/24/49/86/1050244986.db2.gz YJKFXNMIFUTZED-AZUAARDMSA-N 1 0 337.423 4.074 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@H](C(F)(F)F)C1)CC2 ZINC001172910875 1050246639 /nfs/dbraw/zinc/24/66/39/1050246639.db2.gz PRKKOEIEGDOPBD-GJZGRUSLSA-N 1 0 342.361 4.117 20 5 EIBDRO Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1C(F)(F)F ZINC001177737565 1050288565 /nfs/dbraw/zinc/28/85/65/1050288565.db2.gz RMBRWMBDUFXOPP-UHFFFAOYSA-N 1 0 338.329 4.254 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(Cl)c1NCC1CC[NH+](C2CC2)CC1 ZINC001186315208 1050293363 /nfs/dbraw/zinc/29/33/63/1050293363.db2.gz CMFJTZNOIUYELL-UHFFFAOYSA-N 1 0 344.242 4.188 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC(C)(C)CC2CC2)c1F ZINC001173177393 1050334767 /nfs/dbraw/zinc/33/47/67/1050334767.db2.gz BIUCHEYCFGIIAP-GFCCVEGCSA-N 1 0 338.423 4.089 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)Cc2ccc(C)cc2)c1F ZINC001173190492 1050337335 /nfs/dbraw/zinc/33/73/35/1050337335.db2.gz UADNMDGEZYODCB-AWEZNQCLSA-N 1 0 346.402 4.114 20 5 EIBDRO CCCCC[C@H](C)[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173182038 1050337497 /nfs/dbraw/zinc/33/74/97/1050337497.db2.gz YRLMGXPUTMUSGZ-QWHCGFSZSA-N 1 0 326.412 4.232 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CCC(C)(C)C2)c1F ZINC001173180502 1050337515 /nfs/dbraw/zinc/33/75/15/1050337515.db2.gz RBFZZZALWKMPTB-QWHCGFSZSA-N 1 0 338.423 4.089 20 5 EIBDRO CC[N@H+](Cc1ccccc1)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184377 1050337527 /nfs/dbraw/zinc/33/75/27/1050337527.db2.gz MGEMGUPQOGTSSF-CQSZACIVSA-N 1 0 346.402 4.196 20 5 EIBDRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173183648 1050338196 /nfs/dbraw/zinc/33/81/96/1050338196.db2.gz CPMYBGZRMZTPCS-XQQFMLRXSA-N 1 0 326.412 4.088 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)Cc2cccc(C)c2)c1F ZINC001173181638 1050338209 /nfs/dbraw/zinc/33/82/09/1050338209.db2.gz CQJPPZCDDUXDPJ-CQSZACIVSA-N 1 0 346.402 4.114 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1c(F)ccc(F)c1Cl ZINC001173215316 1050348291 /nfs/dbraw/zinc/34/82/91/1050348291.db2.gz UTKVPFCRSIHGKV-SNVBAGLBSA-N 1 0 340.757 4.247 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1c2ccccc2c2c1C[C@@H]([NH3+])CC2 ZINC001173216561 1050351171 /nfs/dbraw/zinc/35/11/71/1050351171.db2.gz CWIBMRORITTYDE-ZBFHGGJFSA-N 1 0 349.434 4.169 20 5 EIBDRO CCO[C@@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000775026931 1050351768 /nfs/dbraw/zinc/35/17/68/1050351768.db2.gz BVOKWYMKOKDBDO-KRWDZBQOSA-N 1 0 334.803 4.116 20 5 EIBDRO CCOc1cccc([C@@H](C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173220321 1050352347 /nfs/dbraw/zinc/35/23/47/1050352347.db2.gz YHDKTKOZTKVPMZ-HUUCEWRRSA-N 1 0 328.412 4.275 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001173219673 1050353452 /nfs/dbraw/zinc/35/34/52/1050353452.db2.gz PFPUBOAFBJGYOF-ACJLOTCBSA-N 1 0 344.842 4.326 20 5 EIBDRO CC(C)C[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001173222069 1050354368 /nfs/dbraw/zinc/35/43/68/1050354368.db2.gz SUHVDWPIGVNJDG-KXBFYZLASA-N 1 0 327.428 4.298 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@H](C(F)(F)F)CC1 ZINC001173225891 1050357554 /nfs/dbraw/zinc/35/75/54/1050357554.db2.gz KDUYXVLFZOPDPT-MRVWCRGKSA-N 1 0 330.350 4.237 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1cccnc1Cl)C1CC1 ZINC001173230047 1050357864 /nfs/dbraw/zinc/35/78/64/1050357864.db2.gz PZRYLLFGENPPOI-YVEFUNNKSA-N 1 0 345.830 4.315 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001173232642 1050358739 /nfs/dbraw/zinc/35/87/39/1050358739.db2.gz FEDWRADIKNTTLW-KZULUSFZSA-N 1 0 330.815 4.456 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCSCc1ccccc1 ZINC001173232757 1050360191 /nfs/dbraw/zinc/36/01/91/1050360191.db2.gz FXMHJTOGFQYMCZ-OAHLLOKOSA-N 1 0 330.453 4.049 20 5 EIBDRO CCCOc1cccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173234422 1050362737 /nfs/dbraw/zinc/36/27/37/1050362737.db2.gz OPENXMFHQFEBPL-OAHLLOKOSA-N 1 0 328.412 4.104 20 5 EIBDRO CCCOc1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173212933 1050374046 /nfs/dbraw/zinc/37/40/46/1050374046.db2.gz CYEANZCNMORZRD-HNNXBMFYSA-N 1 0 328.412 4.104 20 5 EIBDRO O=[N+]([O-])c1ccccc1S[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001186757350 1050406118 /nfs/dbraw/zinc/40/61/18/1050406118.db2.gz SLRWMYYSJSESRV-INIZCTEOSA-N 1 0 328.437 4.352 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCCc2ccccc2C1 ZINC001178326184 1050447077 /nfs/dbraw/zinc/44/70/77/1050447077.db2.gz CZCHGJSHUFIYRM-SFHVURJKSA-N 1 0 344.842 4.328 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001178326899 1050447146 /nfs/dbraw/zinc/44/71/46/1050447146.db2.gz UGXOWRUWHLQCFV-UHFFFAOYSA-N 1 0 343.185 4.373 20 5 EIBDRO CC(C)[C@@H]1CN(c2sccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001187044796 1050466279 /nfs/dbraw/zinc/46/62/79/1050466279.db2.gz PHPVATIABVDNEQ-KRWDZBQOSA-N 1 0 345.468 4.003 20 5 EIBDRO COc1cc(C)ccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001180178709 1050893848 /nfs/dbraw/zinc/89/38/48/1050893848.db2.gz ZXVURDGJWKFFFY-UHFFFAOYSA-N 1 0 328.412 4.322 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000182935451 1050908453 /nfs/dbraw/zinc/90/84/53/1050908453.db2.gz HCBHCGIUHNYNLD-OLZOCXBDSA-N 1 0 344.415 4.264 20 5 EIBDRO CC(C)c1ccc(C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000619798707 1050910851 /nfs/dbraw/zinc/91/08/51/1050910851.db2.gz ZPMHRUWYVUFJNK-HUUCEWRRSA-N 1 0 334.460 4.402 20 5 EIBDRO COc1cc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cnc1OC ZINC001174547869 1051078583 /nfs/dbraw/zinc/07/85/83/1051078583.db2.gz BQQPEEBIDOOLCF-UHFFFAOYSA-N 1 0 346.390 4.126 20 5 EIBDRO C[C@@H](CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC001180906016 1051105055 /nfs/dbraw/zinc/10/50/55/1051105055.db2.gz IPZKMZKHAXEDDI-LSDHHAIUSA-N 1 0 349.475 4.364 20 5 EIBDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001190407493 1051176268 /nfs/dbraw/zinc/17/62/68/1051176268.db2.gz OSLJRJKNLRCUFA-IBGZPJMESA-N 1 0 326.396 4.119 20 5 EIBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccc(F)cc1 ZINC001190474047 1051194418 /nfs/dbraw/zinc/19/44/18/1051194418.db2.gz CGBUXAAIKXYEFI-CQSZACIVSA-N 1 0 332.375 4.196 20 5 EIBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)Cc1ccncc1 ZINC000183738038 1051324848 /nfs/dbraw/zinc/32/48/48/1051324848.db2.gz GPMQDUOQWCJQTL-UHFFFAOYSA-N 1 0 339.420 4.350 20 5 EIBDRO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000183727229 1051327986 /nfs/dbraw/zinc/32/79/86/1051327986.db2.gz IXXQXIOSAVZAAL-AWEZNQCLSA-N 1 0 337.379 4.443 20 5 EIBDRO CC(C)[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000775434638 1051347609 /nfs/dbraw/zinc/34/76/09/1051347609.db2.gz OZWFTIUARCGGIZ-MSOLQXFVSA-N 1 0 348.830 4.269 20 5 EIBDRO CCOC1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001182020748 1051384354 /nfs/dbraw/zinc/38/43/54/1051384354.db2.gz NSNFJMDLIYAZGV-AEFFLSMTSA-N 1 0 346.471 4.245 20 5 EIBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1(CC)CC ZINC001191822686 1051563136 /nfs/dbraw/zinc/56/31/36/1051563136.db2.gz YAYIOGAYBOULTI-SJORKVTESA-N 1 0 338.423 4.150 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](c2ccccc2)C2CCCC2)cc1 ZINC000774407570 1051582253 /nfs/dbraw/zinc/58/22/53/1051582253.db2.gz BBFOFQVNPYNBLG-UXHICEINSA-N 1 0 340.423 4.149 20 5 EIBDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001182635165 1051654748 /nfs/dbraw/zinc/65/47/48/1051654748.db2.gz XIKQAOPAUQJOAC-HAQNSBGRSA-N 1 0 347.242 4.337 20 5 EIBDRO COc1ccccc1[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001175622994 1051678303 /nfs/dbraw/zinc/67/83/03/1051678303.db2.gz VZHBBNUVGCQNHW-OAHLLOKOSA-N 1 0 346.452 4.435 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCCc1ccco1 ZINC001183075720 1051773946 /nfs/dbraw/zinc/77/39/46/1051773946.db2.gz YJKNDEXMCLXUDG-YJBOKZPZSA-N 1 0 328.412 4.121 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCSC[C@H]1c1ccccc1 ZINC001175769149 1051774330 /nfs/dbraw/zinc/77/43/30/1051774330.db2.gz PWIRHMONZFACAI-SFHVURJKSA-N 1 0 328.437 4.275 20 5 EIBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CC2CCCCC2)c2ccccc2)n1 ZINC001192911132 1051831605 /nfs/dbraw/zinc/83/16/05/1051831605.db2.gz ZITFVELWKCEBDD-GOSISDBHSA-N 1 0 342.443 4.093 20 5 EIBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC001183532143 1051863960 /nfs/dbraw/zinc/86/39/60/1051863960.db2.gz ASCSQRVMRWVAPZ-KGLIPLIRSA-N 1 0 339.233 4.026 20 5 EIBDRO CC[C@@H]1Cc2ccccc2C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001193117735 1051872703 /nfs/dbraw/zinc/87/27/03/1051872703.db2.gz PJKFXLVNZYYLPE-GOSISDBHSA-N 1 0 340.423 4.201 20 5 EIBDRO C[C@H]([NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C)c1ccccc1[N+](=O)[O-] ZINC001183652844 1051877554 /nfs/dbraw/zinc/87/75/54/1051877554.db2.gz WEGQTCRKEIXZMF-GDIGMMSISA-N 1 0 340.423 4.492 20 5 EIBDRO CC[C@H](OCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001176037925 1051881532 /nfs/dbraw/zinc/88/15/32/1051881532.db2.gz ZCBCXSVHOIFKFE-KXBFYZLASA-N 1 0 328.412 4.413 20 5 EIBDRO Cc1cc(F)c(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC001183957487 1051932698 /nfs/dbraw/zinc/93/26/98/1051932698.db2.gz AOFOUXISBTVWAY-CYBMUJFWSA-N 1 0 334.366 4.292 20 5 EIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC001193658898 1051969629 /nfs/dbraw/zinc/96/96/29/1051969629.db2.gz AKFBQUXXIOHWHH-AEGPPILISA-N 1 0 347.459 4.035 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC001184264504 1051980150 /nfs/dbraw/zinc/98/01/50/1051980150.db2.gz DPKHMSBLYXLXBW-IDJPSDCMSA-N 1 0 343.452 4.019 20 5 EIBDRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)cc1 ZINC001193932527 1052023519 /nfs/dbraw/zinc/02/35/19/1052023519.db2.gz PSXUOMQHMSMSTI-PBHICJAKSA-N 1 0 328.387 4.420 20 5 EIBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1C(F)F)c1cccs1 ZINC001184523966 1052026086 /nfs/dbraw/zinc/02/60/86/1052026086.db2.gz DQEJNAHRHLLZCI-ZDUSSCGKSA-N 1 0 341.383 4.309 20 5 EIBDRO Cc1cc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])s1 ZINC001184501013 1052033065 /nfs/dbraw/zinc/03/30/65/1052033065.db2.gz RUPBBZHQBRBDGT-MRXNPFEDSA-N 1 0 331.441 4.214 20 5 EIBDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC001194166102 1052093098 /nfs/dbraw/zinc/09/30/98/1052093098.db2.gz XBRRNKQCBGDCCW-QWRGUYRKSA-N 1 0 341.249 4.272 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)cc1 ZINC001176641217 1052149498 /nfs/dbraw/zinc/14/94/98/1052149498.db2.gz QQRFPNBFCQOHIR-BLGFXRMMSA-N 1 0 338.407 4.151 20 5 EIBDRO CC(C)[C@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000444749604 1052769640 /nfs/dbraw/zinc/76/96/40/1052769640.db2.gz UBNTYOMNQRJPGN-HIFRSBDPSA-N 1 0 344.415 4.074 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1OC)c1cccc([N+](=O)[O-])c1 ZINC000090918518 1052782888 /nfs/dbraw/zinc/78/28/88/1052782888.db2.gz AVKFOJLFKMNYLL-UGSOOPFHSA-N 1 0 344.411 4.414 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2COC3(CCC3)C2)s1 ZINC000850367506 1053142333 /nfs/dbraw/zinc/14/23/33/1053142333.db2.gz LPWGHFUZSNUMCQ-CYBMUJFWSA-N 1 0 344.436 4.125 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC001194905788 1053160576 /nfs/dbraw/zinc/16/05/76/1053160576.db2.gz LMFZVMJKNUAVPP-IFXJQAMLSA-N 1 0 348.443 4.018 20 5 EIBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764807115 1053319135 /nfs/dbraw/zinc/31/91/35/1053319135.db2.gz ANKCLQCVHXQYIS-BEFAXECRSA-N 1 0 331.460 4.122 20 5 EIBDRO CC(C)n1cc2c(n1)[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000764937638 1053387371 /nfs/dbraw/zinc/38/73/71/1053387371.db2.gz DNPJQBCNCOLZQR-GUYCJALGSA-N 1 0 328.416 4.100 20 5 EIBDRO COc1ccc(C[C@H]2CCCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001195874271 1053512021 /nfs/dbraw/zinc/51/20/21/1053512021.db2.gz RPFWQULICOXIJJ-GOSISDBHSA-N 1 0 340.423 4.201 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@H](c2ccccn2)C1 ZINC000852087649 1053548739 /nfs/dbraw/zinc/54/87/39/1053548739.db2.gz OXBJRJJAEVSOKF-ZDUSSCGKSA-N 1 0 331.803 4.023 20 5 EIBDRO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000776589569 1053574547 /nfs/dbraw/zinc/57/45/47/1053574547.db2.gz TVGRDIUJXZRUHC-JEBQAFNWSA-N 1 0 344.411 4.003 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC001196263042 1053622187 /nfs/dbraw/zinc/62/21/87/1053622187.db2.gz LQQOCFFVVJHAQW-AWEZNQCLSA-N 1 0 343.402 4.378 20 5 EIBDRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866345862 1053698244 /nfs/dbraw/zinc/69/82/44/1053698244.db2.gz GCZHCCWKBQDXGN-QWRGUYRKSA-N 1 0 336.329 4.376 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866609317 1053803251 /nfs/dbraw/zinc/80/32/51/1053803251.db2.gz LIUXQKSHNTYOTA-LERXQTSPSA-N 1 0 344.333 4.151 20 5 EIBDRO CCOc1cc(C[N@H+](C)Cc2ccc3cc[nH]c3c2)ccc1[N+](=O)[O-] ZINC001197202539 1053852447 /nfs/dbraw/zinc/85/24/47/1053852447.db2.gz OERGBKIOJZHSNZ-UHFFFAOYSA-N 1 0 339.395 4.107 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]CCc2nsc3ccccc32)cc1[N+](=O)[O-] ZINC001168553309 1053887257 /nfs/dbraw/zinc/88/72/57/1053887257.db2.gz QAXUTJXRJJPDIZ-ZDUSSCGKSA-N 1 0 341.436 4.406 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2nsc3ccccc32)cc1[N+](=O)[O-] ZINC001168553308 1053887965 /nfs/dbraw/zinc/88/79/65/1053887965.db2.gz QAXUTJXRJJPDIZ-CYBMUJFWSA-N 1 0 341.436 4.406 20 5 EIBDRO CC[C@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nccs1 ZINC000339083708 1053948263 /nfs/dbraw/zinc/94/82/63/1053948263.db2.gz NTOHLKKSDGQOSR-LBPRGKRZSA-N 1 0 345.346 4.311 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000856805298 1054113012 /nfs/dbraw/zinc/11/30/12/1054113012.db2.gz MLOJULZCVUCOJA-LWMSPQMPSA-N 1 0 329.227 4.172 20 5 EIBDRO C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000173362872 1054216992 /nfs/dbraw/zinc/21/69/92/1054216992.db2.gz NSKVKFPZFSLGMW-ZOCIIQOWSA-N 1 0 326.396 4.166 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC)C1CCOCC1 ZINC000872040407 1054356566 /nfs/dbraw/zinc/35/65/66/1054356566.db2.gz LJSRTTAUTIQOAY-MLGOLLRUSA-N 1 0 338.473 4.173 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000872046427 1054358079 /nfs/dbraw/zinc/35/80/79/1054358079.db2.gz HHURHSCLDFZXMX-XEZPLFJOSA-N 1 0 338.473 4.171 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049640 1054361728 /nfs/dbraw/zinc/36/17/28/1054361728.db2.gz UMBQRISCAQSVQY-KGLIPLIRSA-N 1 0 336.407 4.266 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872094151 1054387124 /nfs/dbraw/zinc/38/71/24/1054387124.db2.gz ZFVYWOFCHJGDFW-CKYFFXLPSA-N 1 0 332.297 4.282 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)s1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000872108141 1054389350 /nfs/dbraw/zinc/38/93/50/1054389350.db2.gz RMGBSJSANDVADT-QMMMGPOBSA-N 1 0 345.346 4.108 20 5 EIBDRO Cc1c(C[NH2+][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000873028618 1054480040 /nfs/dbraw/zinc/48/00/40/1054480040.db2.gz OHJFWVVYYNKMFB-MOPGFXCFSA-N 1 0 344.386 4.052 20 5 EIBDRO Cc1cc2cc3cc(C)c(Nc4ccc(N)nc4)cc3[nH+]c2cc1N ZINC001201294922 1054743403 /nfs/dbraw/zinc/74/34/03/1054743403.db2.gz KTARRJGKQZDHTK-UHFFFAOYSA-N 1 0 329.407 4.308 20 5 EIBDRO CC[C@H]([NH2+][C@H]1CCc2ccc(OC)cc2C1)c1cccc([N+](=O)[O-])c1 ZINC001201769343 1054901870 /nfs/dbraw/zinc/90/18/70/1054901870.db2.gz GBDFDFRMPMDBJI-PXNSSMCTSA-N 1 0 340.423 4.202 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CCc2ccc(OC)cc2C1)c1cccc([N+](=O)[O-])c1 ZINC001201769344 1054901907 /nfs/dbraw/zinc/90/19/07/1054901907.db2.gz GBDFDFRMPMDBJI-XLIONFOSSA-N 1 0 340.423 4.202 20 5 EIBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](c3ccccc3)C3CCCC3)C2)c1 ZINC000876976878 1054991059 /nfs/dbraw/zinc/99/10/59/1054991059.db2.gz SHGOVEXCMFDIRK-FAFZWHIHSA-N 1 0 340.427 4.016 20 5 EIBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1csc2ccccc12 ZINC000877008207 1055001369 /nfs/dbraw/zinc/00/13/69/1055001369.db2.gz HKNMYWQVYHOVQY-PNESKVBLSA-N 1 0 342.424 4.060 20 5 EIBDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000877073203 1055013816 /nfs/dbraw/zinc/01/38/16/1055013816.db2.gz FNFKEUYQNRGZHO-CSTKLKAISA-N 1 0 342.376 4.277 20 5 EIBDRO CC1(C)C(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1(C)C ZINC001202119783 1055040542 /nfs/dbraw/zinc/04/05/42/1055040542.db2.gz VEJINFQZIKYVHN-UHFFFAOYSA-N 1 0 345.468 4.490 20 5 EIBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1c(Cl)cccc1Cl ZINC001202228261 1055075397 /nfs/dbraw/zinc/07/53/97/1055075397.db2.gz SGBZTMGVXTYHRX-UHFFFAOYSA-N 1 0 325.195 4.234 20 5 EIBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878420913 1055303517 /nfs/dbraw/zinc/30/35/17/1055303517.db2.gz RNQDSDGQQPHPSC-ZFWWWQNUSA-N 1 0 344.415 4.093 20 5 EIBDRO CCC[C@H]([NH2+]Cc1cc(F)cc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000090972006 1055438188 /nfs/dbraw/zinc/43/81/88/1055438188.db2.gz RBPHFEJGPOTHID-SFHVURJKSA-N 1 0 332.375 4.374 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000765817674 1055552908 /nfs/dbraw/zinc/55/29/08/1055552908.db2.gz PNSDGTDZIWQKAJ-ACJLOTCBSA-N 1 0 348.830 4.115 20 5 EIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC000301588418 1055742641 /nfs/dbraw/zinc/74/26/41/1055742641.db2.gz PUUBGFJKUXNFAZ-WMLDXEAASA-N 1 0 343.402 4.056 20 5 EIBDRO CC[C@H](Nc1cccc(OCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000326905130 1055784903 /nfs/dbraw/zinc/78/49/03/1055784903.db2.gz MLGJDLBEORHCSG-IBGZPJMESA-N 1 0 343.427 4.098 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000273471293 1055858202 /nfs/dbraw/zinc/85/82/02/1055858202.db2.gz SAHPEHXRWFOTGV-SOVGHPHASA-N 1 0 344.386 4.305 20 5 EIBDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000273511900 1055889936 /nfs/dbraw/zinc/88/99/36/1055889936.db2.gz OQEXYSIXBVLSAU-CHWSQXEVSA-N 1 0 340.832 4.084 20 5 EIBDRO CC(C)C[N@@H+](Cc1ccccc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000746061864 1059991076 /nfs/dbraw/zinc/99/10/76/1059991076.db2.gz LSQCSFIIQIFQKO-UHFFFAOYSA-N 1 0 338.411 4.060 20 5 EIBDRO CC(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)(c1ccccc1)c1ccccc1 ZINC001168965970 1060559882 /nfs/dbraw/zinc/55/98/82/1060559882.db2.gz FHFRNHXIKRXAHV-PXNSSMCTSA-N 1 0 338.451 4.028 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2cccc(Oc3ccccc3)c2)C1 ZINC001168967456 1060562950 /nfs/dbraw/zinc/56/29/50/1060562950.db2.gz PSCIELNAEYKIJC-QZTJIDSGSA-N 1 0 340.423 4.056 20 5 EIBDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC001168967843 1060563019 /nfs/dbraw/zinc/56/30/19/1060563019.db2.gz BQTXZRTVLUWKRB-IBGZPJMESA-N 1 0 328.387 4.331 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3ccccc3)CCC(F)(F)CC2)C1 ZINC001168999716 1060570113 /nfs/dbraw/zinc/57/01/13/1060570113.db2.gz UROHCBMKMRCMQW-HOCLYGCPSA-N 1 0 338.398 4.126 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(CC3CCC3)CCC(F)(F)CC2)C1 ZINC001168997969 1060571679 /nfs/dbraw/zinc/57/16/79/1060571679.db2.gz GWTJOIANRABZBG-HUUCEWRRSA-N 1 0 330.419 4.160 20 5 EIBDRO CC(C)(Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168998123 1060571802 /nfs/dbraw/zinc/57/18/02/1060571802.db2.gz IOBCIOVQZSEMKP-GXTWGEPZSA-N 1 0 344.377 4.062 20 5 EIBDRO Cc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046345 1060601197 /nfs/dbraw/zinc/60/11/97/1060601197.db2.gz KVMJBFIQLQNIHT-WBVHZDCISA-N 1 0 341.455 4.035 20 5 EIBDRO CC1(C)C[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001169150661 1060667359 /nfs/dbraw/zinc/66/73/59/1060667359.db2.gz CVEVUMJKQCSHJF-DJJJIMSYSA-N 1 0 342.443 4.099 20 5 EIBDRO Cc1ccc(CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)c2ccccc12 ZINC001169417408 1060808516 /nfs/dbraw/zinc/80/85/16/1060808516.db2.gz LLOYPMITCTUHIM-UHFFFAOYSA-N 1 0 333.391 4.272 20 5 EIBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc([N+](=O)[O-])c2cnccc21 ZINC001169695556 1060904659 /nfs/dbraw/zinc/90/46/59/1060904659.db2.gz GTLLPMWVKSZSTC-KRWDZBQOSA-N 1 0 348.406 4.383 20 5 EIBDRO CCCC1CCC([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001169952390 1061048685 /nfs/dbraw/zinc/04/86/85/1061048685.db2.gz GZDHLYWJLCTCHM-UHFFFAOYSA-N 1 0 347.459 4.214 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[N@H+](Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC001167064883 1019226307 /nfs/dbraw/zinc/22/63/07/1019226307.db2.gz YOGWVGGUBCYAPZ-UHFFFAOYSA-N 1 0 346.814 4.292 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000430209737 1019362754 /nfs/dbraw/zinc/36/27/54/1019362754.db2.gz YPXZFNIXCMDJMB-LJQANCHMSA-N 1 0 326.396 4.234 20 5 EIBDRO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000610216206 1019395653 /nfs/dbraw/zinc/39/56/53/1019395653.db2.gz ZRXWBPYKOMLOTE-GDBMZVCRSA-N 1 0 328.387 4.360 20 5 EIBDRO C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000610216208 1019396806 /nfs/dbraw/zinc/39/68/06/1019396806.db2.gz ZRXWBPYKOMLOTE-HOCLYGCPSA-N 1 0 328.387 4.360 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000430218547 1019437647 /nfs/dbraw/zinc/43/76/47/1019437647.db2.gz MLBFDCQTBWSIGX-IBGZPJMESA-N 1 0 326.396 4.153 20 5 EIBDRO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000015372237 1032844892 /nfs/dbraw/zinc/84/48/92/1032844892.db2.gz FWNUFYJTEBFJRI-SFHVURJKSA-N 1 0 326.396 4.331 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000090217601 1032868147 /nfs/dbraw/zinc/86/81/47/1032868147.db2.gz WMYUEWXLAHSNDF-POUGUFFASA-N 1 0 346.452 4.052 20 5 EIBDRO Cc1cc(NCC2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000060082241 1020027786 /nfs/dbraw/zinc/02/77/86/1020027786.db2.gz PRDIASKYOWYCGJ-UHFFFAOYSA-N 1 0 339.439 4.227 20 5 EIBDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000336877601 1020131826 /nfs/dbraw/zinc/13/18/26/1020131826.db2.gz QYRUDTTYTGVWCU-DJJJIMSYSA-N 1 0 326.396 4.332 20 5 EIBDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000610271465 1020834143 /nfs/dbraw/zinc/83/41/43/1020834143.db2.gz LHTMNYLLZKJMAO-CYBMUJFWSA-N 1 0 332.400 4.148 20 5 EIBDRO Cc1ccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000340445589 1021041070 /nfs/dbraw/zinc/04/10/70/1021041070.db2.gz XMKGHKFURZVKPD-INIZCTEOSA-N 1 0 330.359 4.046 20 5 EIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc2cc(F)ccc2o1 ZINC000348639243 1021149089 /nfs/dbraw/zinc/14/90/89/1021149089.db2.gz YJKHUDIOBBASHW-UHFFFAOYSA-N 1 0 328.343 4.155 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)c(Cl)c1 ZINC000431707092 1021551249 /nfs/dbraw/zinc/55/12/49/1021551249.db2.gz DFKJDLNDAJMKNQ-CRAIPNDOSA-N 1 0 346.814 4.116 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000580143978 1021751384 /nfs/dbraw/zinc/75/13/84/1021751384.db2.gz FOAVMUJFCUCEMB-XAUMDUMWSA-N 1 0 340.423 4.332 20 5 EIBDRO COc1ccc2oc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)cc2c1 ZINC000581442343 1021850580 /nfs/dbraw/zinc/85/05/80/1021850580.db2.gz ZYTOVZLHWKJRJP-UHFFFAOYSA-N 1 0 340.379 4.024 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000580328467 1021863272 /nfs/dbraw/zinc/86/32/72/1021863272.db2.gz VIWZQGBSSJPYPB-YOEHRIQHSA-N 1 0 330.428 4.054 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1cccc(F)c1F)C1CC1 ZINC000536866218 1022033846 /nfs/dbraw/zinc/03/38/46/1022033846.db2.gz ZEIMXPHSAYXDKK-KRWDZBQOSA-N 1 0 346.377 4.026 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(OC)CC1 ZINC000414198423 1022101161 /nfs/dbraw/zinc/10/11/61/1022101161.db2.gz ZMLPUYRUKDWQGJ-NFOMZHRRSA-N 1 0 338.473 4.013 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000177791282 1022210433 /nfs/dbraw/zinc/21/04/33/1022210433.db2.gz RXHIZTSHMUYHQM-OLZOCXBDSA-N 1 0 328.368 4.044 20 5 EIBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1OC ZINC000584552396 1022350142 /nfs/dbraw/zinc/35/01/42/1022350142.db2.gz YZWQWJDEBCIDCK-CQSZACIVSA-N 1 0 344.411 4.080 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H](C)[C@@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000471611691 1022391732 /nfs/dbraw/zinc/39/17/32/1022391732.db2.gz CVAWLUCLQZBWFN-YRNRMSPPSA-N 1 0 341.455 4.245 20 5 EIBDRO C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC(F)(F)F ZINC000414287776 1022402113 /nfs/dbraw/zinc/40/21/13/1022402113.db2.gz UPOKSDKWHQCOGR-BXUZGUMPSA-N 1 0 330.350 4.094 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCc2ccccc2O)c2ccccc2)c1 ZINC000180391155 1022601248 /nfs/dbraw/zinc/60/12/48/1022601248.db2.gz YTJMSFKPYAVWLK-NRFANRHFSA-N 1 0 348.402 4.222 20 5 EIBDRO CC(C)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180413468 1022644147 /nfs/dbraw/zinc/64/41/47/1022644147.db2.gz VVMFVXBEPZSJGN-AWEZNQCLSA-N 1 0 341.411 4.008 20 5 EIBDRO CC(C)c1cccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180427862 1022653935 /nfs/dbraw/zinc/65/39/35/1022653935.db2.gz NCGOPIRGICJIGB-CQSZACIVSA-N 1 0 341.411 4.008 20 5 EIBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104666735 1022673921 /nfs/dbraw/zinc/67/39/21/1022673921.db2.gz VIGYAQRAMWPCCT-PBHICJAKSA-N 1 0 343.427 4.303 20 5 EIBDRO CC[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000378392406 1022796779 /nfs/dbraw/zinc/79/67/79/1022796779.db2.gz FXDXAFMMKSSXCU-YZGWKJHDSA-N 1 0 340.423 4.413 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C2CCSCC2)c2ccccc2)c1 ZINC000180845621 1022839291 /nfs/dbraw/zinc/83/92/91/1022839291.db2.gz VNTINDLQRRUVBU-GOSISDBHSA-N 1 0 328.437 4.169 20 5 EIBDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581143539 1022857015 /nfs/dbraw/zinc/85/70/15/1022857015.db2.gz WRSLHJMLPINFMH-IRXDYDNUSA-N 1 0 342.370 4.007 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCCc2ccccn2)c2ccccc2)c1 ZINC000180971485 1022870263 /nfs/dbraw/zinc/87/02/63/1022870263.db2.gz LGBAIDMEZPZTBT-NRFANRHFSA-N 1 0 347.418 4.302 20 5 EIBDRO CCOC1CC(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000189252127 1023048005 /nfs/dbraw/zinc/04/80/05/1023048005.db2.gz NIJXNVSGENTIPX-DHRZBBNESA-N 1 0 346.471 4.101 20 5 EIBDRO CC[C@@]1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)OCCc2ccccc21 ZINC000561402731 1023223662 /nfs/dbraw/zinc/22/36/62/1023223662.db2.gz DZOUNUVBAQWEKD-YWZLYKJASA-N 1 0 340.423 4.124 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Cl)cn1)CCCC2 ZINC000417307723 1023255768 /nfs/dbraw/zinc/25/57/68/1023255768.db2.gz GKGOLCBCGVNHGE-KRWDZBQOSA-N 1 0 331.803 4.201 20 5 EIBDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312991 1023257496 /nfs/dbraw/zinc/25/74/96/1023257496.db2.gz UJTQYUVVXZGZIU-KPZWWZAWSA-N 1 0 343.427 4.360 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCOC3(CCC3)C1)CCCC2 ZINC000417325325 1023266457 /nfs/dbraw/zinc/26/64/57/1023266457.db2.gz BVLLFCWLLJDAHP-KXBFYZLASA-N 1 0 344.455 4.301 20 5 EIBDRO CCc1noc(C)c1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417324965 1023267519 /nfs/dbraw/zinc/26/75/19/1023267519.db2.gz AVPFTIPTPVUJCG-SFHVURJKSA-N 1 0 329.400 4.011 20 5 EIBDRO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000150900687 1023286741 /nfs/dbraw/zinc/28/67/41/1023286741.db2.gz JFGBCJWRSKKTIV-WMLDXEAASA-N 1 0 345.468 4.144 20 5 EIBDRO COc1ccc(C[NH2+]C(C)(C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000119379593 1023305924 /nfs/dbraw/zinc/30/59/24/1023305924.db2.gz XHVPRRVWMIHYRB-UHFFFAOYSA-N 1 0 334.803 4.282 20 5 EIBDRO Cc1ccc([C@@H](C)NCc2nc(C)c3ccccc3n2)cc1[N+](=O)[O-] ZINC000157182471 1023348057 /nfs/dbraw/zinc/34/80/57/1023348057.db2.gz UEMXQLLFLGYGBV-CYBMUJFWSA-N 1 0 336.395 4.006 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414929677 1023370499 /nfs/dbraw/zinc/37/04/99/1023370499.db2.gz OIESBBZFALPZTL-AUUYWEPGSA-N 1 0 339.439 4.165 20 5 EIBDRO CCOc1cccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000480727943 1023383702 /nfs/dbraw/zinc/38/37/02/1023383702.db2.gz OYDDTEANIDBXFP-LJQANCHMSA-N 1 0 340.423 4.104 20 5 EIBDRO CCc1ccc([C@H](COC)[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000468560234 1023407997 /nfs/dbraw/zinc/40/79/97/1023407997.db2.gz MUTLNJQLQPYTLK-PBHICJAKSA-N 1 0 346.427 4.049 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)c1ncc(C)s1 ZINC000468615703 1023696337 /nfs/dbraw/zinc/69/63/37/1023696337.db2.gz QQYOSOAVWOOOJW-BWODNOAJSA-N 1 0 331.441 4.156 20 5 EIBDRO C[C@H]([NH2+]CC1CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178278211 1023887226 /nfs/dbraw/zinc/88/72/26/1023887226.db2.gz OTRXBPAYAGKACC-ZDUSSCGKSA-N 1 0 346.452 4.401 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000181719993 1024023474 /nfs/dbraw/zinc/02/34/74/1024023474.db2.gz ODFXYCKJPUIFEB-DEYYWGMASA-N 1 0 326.396 4.119 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@H]4CCC[C@@H]43)s2)cc1 ZINC000510649865 1024162831 /nfs/dbraw/zinc/16/28/31/1024162831.db2.gz YPSOJFSZLWQXOQ-IRXDYDNUSA-N 1 0 344.436 4.077 20 5 EIBDRO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000111310849 1024359756 /nfs/dbraw/zinc/35/97/56/1024359756.db2.gz LGGQDADVVSJHED-INIZCTEOSA-N 1 0 331.441 4.178 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000047937753 1024371133 /nfs/dbraw/zinc/37/11/33/1024371133.db2.gz FHBHOCITOJBPGB-LLVKDONJSA-N 1 0 335.201 4.208 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H]4CCCC[C@@H]43)o2)c1 ZINC000104680738 1024421768 /nfs/dbraw/zinc/42/17/68/1024421768.db2.gz VATNWJVSLCVOIX-YOEHRIQHSA-N 1 0 341.411 4.057 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000181815009 1024663822 /nfs/dbraw/zinc/66/38/22/1024663822.db2.gz DXJKFRAOUHAKJB-MRXNPFEDSA-N 1 0 334.803 4.498 20 5 EIBDRO CCC[C@H]([NH2+]Cc1c(C)cc(C)nc1OC)c1cccc([N+](=O)[O-])c1 ZINC000610809631 1024992993 /nfs/dbraw/zinc/99/29/93/1024992993.db2.gz IWZFFFOFOSJSPO-SFHVURJKSA-N 1 0 343.427 4.246 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000549830666 1033272862 /nfs/dbraw/zinc/27/28/62/1033272862.db2.gz VAWALAXGKDPCDN-MRXNPFEDSA-N 1 0 338.329 4.421 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000122016242 1025348301 /nfs/dbraw/zinc/34/83/01/1025348301.db2.gz SLXVGEBGBDRBKU-UONOGXRCSA-N 1 0 342.395 4.086 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCCNc3ccccc32)c1 ZINC000278900553 1025381311 /nfs/dbraw/zinc/38/13/11/1025381311.db2.gz ZGMNRCBLJMAXCU-KRWDZBQOSA-N 1 0 331.803 4.285 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000568815394 1025393895 /nfs/dbraw/zinc/39/38/95/1025393895.db2.gz VKIOUEPFNJLUDS-UHFFFAOYSA-N 1 0 332.444 4.217 20 5 EIBDRO CCOCc1ccccc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000119552166 1025488752 /nfs/dbraw/zinc/48/87/52/1025488752.db2.gz XNZYLHCGALVKRI-HNNXBMFYSA-N 1 0 328.412 4.291 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCOC1 ZINC000119569051 1025505071 /nfs/dbraw/zinc/50/50/71/1025505071.db2.gz JFLRFLIETNHHEY-HZSPNIEDSA-N 1 0 346.452 4.399 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCCOCc1ccccc1 ZINC000519180122 1025561369 /nfs/dbraw/zinc/56/13/69/1025561369.db2.gz JDDDPGCPZPNGGA-LJQANCHMSA-N 1 0 340.423 4.169 20 5 EIBDRO CC[C@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1cccc([N+](=O)[O-])c1 ZINC000482125447 1025569840 /nfs/dbraw/zinc/56/98/40/1025569840.db2.gz XQDJPIXNFIDXQU-SFHVURJKSA-N 1 0 341.386 4.499 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)cc(C(F)(F)F)c1 ZINC000511027881 1025666215 /nfs/dbraw/zinc/66/62/15/1025666215.db2.gz JIFWHZFGMFDIRP-LSDHHAIUSA-N 1 0 328.334 4.282 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1OC ZINC000539090459 1025804076 /nfs/dbraw/zinc/80/40/76/1025804076.db2.gz JUSCZPOQSAJGTP-MRXNPFEDSA-N 1 0 334.803 4.498 20 5 EIBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)Cc1cccnc1 ZINC000182030646 1025870731 /nfs/dbraw/zinc/87/07/31/1025870731.db2.gz ZRPNLEPVQPCBSC-UHFFFAOYSA-N 1 0 339.420 4.350 20 5 EIBDRO Cc1nc(C(C)C)ccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000550074933 1026016014 /nfs/dbraw/zinc/01/60/14/1026016014.db2.gz GWDWYUOJZMFXTO-UHFFFAOYSA-N 1 0 327.428 4.096 20 5 EIBDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000157813928 1026069136 /nfs/dbraw/zinc/06/91/36/1026069136.db2.gz BIRDNICYKFHDLK-ZDUSSCGKSA-N 1 0 330.432 4.014 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000158050649 1026200661 /nfs/dbraw/zinc/20/06/61/1026200661.db2.gz GIXFNWCZVFARBC-QSFXBCCZSA-N 1 0 340.423 4.474 20 5 EIBDRO C[C@@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000432500534 1026200627 /nfs/dbraw/zinc/20/06/27/1026200627.db2.gz IZAAZAVUJBSPLL-IAGOWNOFSA-N 1 0 339.439 4.162 20 5 EIBDRO CCC[C@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000344331018 1026244546 /nfs/dbraw/zinc/24/45/46/1026244546.db2.gz ONQMOBMRFDZDQB-QAPCUYQASA-N 1 0 334.460 4.214 20 5 EIBDRO CCc1nc2c(s1)[C@H]([N@H+](C)CCc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000478051894 1026338122 /nfs/dbraw/zinc/33/81/22/1026338122.db2.gz FCFDRABIKUMSAT-MRXNPFEDSA-N 1 0 345.468 4.166 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000120076933 1026465233 /nfs/dbraw/zinc/46/52/33/1026465233.db2.gz QYLLGHXXXISFQI-LLVKDONJSA-N 1 0 340.301 4.344 20 5 EIBDRO Cc1cc(C[NH+](C)C)cc(N[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000540748846 1026480162 /nfs/dbraw/zinc/48/01/62/1026480162.db2.gz UHWDSGQWSWTZJM-HNNXBMFYSA-N 1 0 327.428 4.446 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCC[C@H]3CCCF)c2c1 ZINC000582383586 1026529549 /nfs/dbraw/zinc/52/95/49/1026529549.db2.gz GHRXYGYKTJEBAC-GUYCJALGSA-N 1 0 333.407 4.127 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@H+](CC2=Cc3ccccc3OC2)C2CC2)c1 ZINC000507176743 1026677192 /nfs/dbraw/zinc/67/71/92/1026677192.db2.gz ZDRCLMCIXPSZFK-UHFFFAOYSA-N 1 0 336.391 4.035 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)cc1 ZINC000507182700 1026680770 /nfs/dbraw/zinc/68/07/70/1026680770.db2.gz NDRGSJFYXWIJQO-UHFFFAOYSA-N 1 0 328.387 4.189 20 5 EIBDRO CN(Cc1ccccc1OCC1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000507175140 1026686893 /nfs/dbraw/zinc/68/68/93/1026686893.db2.gz VNRLWOMVKXECNQ-UHFFFAOYSA-N 1 0 326.396 4.016 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000507203241 1026693967 /nfs/dbraw/zinc/69/39/67/1026693967.db2.gz JFVRRHWLBACCBR-UHFFFAOYSA-N 1 0 328.387 4.189 20 5 EIBDRO CC(C)Cc1ccc([C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C(C)C)cc1 ZINC000356820765 1026711257 /nfs/dbraw/zinc/71/12/57/1026711257.db2.gz SELRRTQFQGEOSV-GOSISDBHSA-N 1 0 344.459 4.014 20 5 EIBDRO Cc1c(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000507266569 1026727062 /nfs/dbraw/zinc/72/70/62/1026727062.db2.gz YCQMKTMYAHHGRI-UHFFFAOYSA-N 1 0 343.402 4.119 20 5 EIBDRO COc1ccc(OC)c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000479580666 1026844720 /nfs/dbraw/zinc/84/47/20/1026844720.db2.gz RSXIJNRAKZSCDP-UHFFFAOYSA-N 1 0 344.411 4.023 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OCc2ccccc2)CC1 ZINC000075588557 1027051785 /nfs/dbraw/zinc/05/17/85/1027051785.db2.gz ICGZTTQJAHMMLQ-MRXNPFEDSA-N 1 0 340.423 4.337 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178660898 1027265356 /nfs/dbraw/zinc/26/53/56/1027265356.db2.gz PXSRTDYENPMCRZ-GJZGRUSLSA-N 1 0 336.395 4.192 20 5 EIBDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC001167619966 1027373757 /nfs/dbraw/zinc/37/37/57/1027373757.db2.gz OGKUUKOJQZYGLV-GDBMZVCRSA-N 1 0 328.387 4.187 20 5 EIBDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC001167619970 1027378339 /nfs/dbraw/zinc/37/83/39/1027378339.db2.gz OGKUUKOJQZYGLV-ZBFHGGJFSA-N 1 0 328.387 4.187 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178686485 1027474234 /nfs/dbraw/zinc/47/42/34/1027474234.db2.gz HKKFXTMTLXDLFA-OLZOCXBDSA-N 1 0 331.391 4.212 20 5 EIBDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000178684755 1027480998 /nfs/dbraw/zinc/48/09/98/1027480998.db2.gz JVMCFNZMWAICSN-SCLBCKFNSA-N 1 0 342.395 4.168 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000572879423 1027515439 /nfs/dbraw/zinc/51/54/39/1027515439.db2.gz FPTSVASUSSXZBM-BPIHMUFXSA-N 1 0 328.334 4.319 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)c(F)c1 ZINC000475552348 1027603067 /nfs/dbraw/zinc/60/30/67/1027603067.db2.gz LLVDEIDVOVGFQS-XJKSGUPXSA-N 1 0 332.350 4.299 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCC(C(F)(F)F)CC1 ZINC000474867994 1027700148 /nfs/dbraw/zinc/70/01/48/1027700148.db2.gz JIICDIXNIPXXCC-LMWSTFAQSA-N 1 0 330.350 4.442 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C2CCOCC2)CC1 ZINC000548782887 1027858926 /nfs/dbraw/zinc/85/89/26/1027858926.db2.gz ZLVCNWFZYSOUPE-OAHLLOKOSA-N 1 0 332.444 4.103 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3C3CCCCC3)nc2c1 ZINC000444592079 1027881622 /nfs/dbraw/zinc/88/16/22/1027881622.db2.gz OUQWFVBUNXPINN-QGZVFWFLSA-N 1 0 328.416 4.016 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000523390867 1028060641 /nfs/dbraw/zinc/06/06/41/1028060641.db2.gz GBZHRBZAHMMOKZ-OAHLLOKOSA-N 1 0 328.412 4.195 20 5 EIBDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000523442077 1028119863 /nfs/dbraw/zinc/11/98/63/1028119863.db2.gz KDEPVSHEBMZMJP-SJORKVTESA-N 1 0 340.423 4.160 20 5 EIBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000536365478 1028157637 /nfs/dbraw/zinc/15/76/37/1028157637.db2.gz LHOJEYGQXNUHDY-QIIPPGSGSA-N 1 0 341.411 4.403 20 5 EIBDRO CC(C)(O)C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000428409302 1028726395 /nfs/dbraw/zinc/72/63/95/1028726395.db2.gz BGKAQSBOCWYEAN-UHFFFAOYSA-N 1 0 346.452 4.059 20 5 EIBDRO Cc1csc(C2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000156712635 1028823978 /nfs/dbraw/zinc/82/39/78/1028823978.db2.gz TUNOOUQFNCLCSA-CYBMUJFWSA-N 1 0 331.441 4.300 20 5 EIBDRO CC[C@]1(C)CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000245458096 1028859980 /nfs/dbraw/zinc/85/99/80/1028859980.db2.gz UTABCUCALHOWCQ-FZKQIMNGSA-N 1 0 344.415 4.218 20 5 EIBDRO CC(C)CC[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000524885587 1029312749 /nfs/dbraw/zinc/31/27/49/1029312749.db2.gz ZYKSPDMTYNTYRA-IBGZPJMESA-N 1 0 346.427 4.132 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2(C(F)F)CC2)s1 ZINC000475214355 1029445752 /nfs/dbraw/zinc/44/57/52/1029445752.db2.gz QGYXXZQBEGAZQC-UHFFFAOYSA-N 1 0 338.379 4.458 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCC(F)(F)F)s1 ZINC000525195560 1029506519 /nfs/dbraw/zinc/50/65/19/1029506519.db2.gz LAAGXBIDSMUXOM-UHFFFAOYSA-N 1 0 330.331 4.365 20 5 EIBDRO COCC[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(C)o1 ZINC000278725540 1029741757 /nfs/dbraw/zinc/74/17/57/1029741757.db2.gz MLJJYKFFGUBBIY-QZTJIDSGSA-N 1 0 344.411 4.241 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCOc2c(F)cccc21 ZINC000584420417 1029841582 /nfs/dbraw/zinc/84/15/82/1029841582.db2.gz HYYDWMBRRJOWJV-IAGOWNOFSA-N 1 0 342.370 4.225 20 5 EIBDRO CC(C)([NH2+]CCCCOc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000525866797 1030072044 /nfs/dbraw/zinc/07/20/44/1030072044.db2.gz IQNACCDZAARZCC-UHFFFAOYSA-N 1 0 328.412 4.279 20 5 EIBDRO CCO[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000447566603 1030178514 /nfs/dbraw/zinc/17/85/14/1030178514.db2.gz UZTMITJOLUCWSP-KXBFYZLASA-N 1 0 328.412 4.332 20 5 EIBDRO CCCCn1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c(C)n1 ZINC000447576487 1030204496 /nfs/dbraw/zinc/20/44/96/1030204496.db2.gz YROZFAQGMAQRIP-IBGZPJMESA-N 1 0 342.443 4.067 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000179207204 1030354692 /nfs/dbraw/zinc/35/46/92/1030354692.db2.gz HTZJDSJQLBPFSP-OAHLLOKOSA-N 1 0 347.212 4.134 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000530387066 1030354831 /nfs/dbraw/zinc/35/48/31/1030354831.db2.gz JGBNGCNDABONLC-KBXCAEBGSA-N 1 0 326.396 4.386 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000527099837 1030480687 /nfs/dbraw/zinc/48/06/87/1030480687.db2.gz YLHAUVMTUHGALU-YVEFUNNKSA-N 1 0 330.359 4.217 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H]2CCSC2)c2ccccc2)c1 ZINC000448029772 1030525108 /nfs/dbraw/zinc/52/51/08/1030525108.db2.gz QWHYXMCNEOVTIN-KBXCAEBGSA-N 1 0 328.437 4.027 20 5 EIBDRO C[C@H]([NH2+]CC1(CCO)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000188049015 1030752135 /nfs/dbraw/zinc/75/21/35/1030752135.db2.gz UGNXDHKFEXOMCQ-ZDUSSCGKSA-N 1 0 346.452 4.137 20 5 EIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)c1ccccc1 ZINC000530871041 1030772592 /nfs/dbraw/zinc/77/25/92/1030772592.db2.gz PTHDACVJBUXHCN-UHFFFAOYSA-N 1 0 328.412 4.407 20 5 EIBDRO CCCOc1ccc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000475674276 1030894085 /nfs/dbraw/zinc/89/40/85/1030894085.db2.gz JSTKDRAHLRBNJF-UHFFFAOYSA-N 1 0 328.412 4.409 20 5 EIBDRO C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000532419418 1030932707 /nfs/dbraw/zinc/93/27/07/1030932707.db2.gz VABBIKXQTUYLQF-KRWDZBQOSA-N 1 0 345.487 4.071 20 5 EIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000612134824 1031029829 /nfs/dbraw/zinc/02/98/29/1031029829.db2.gz CWRGZEWZOJFCJU-STQMWFEESA-N 1 0 344.415 4.074 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(c2ccncc2)CC1 ZINC000191612598 1031061474 /nfs/dbraw/zinc/06/14/74/1031061474.db2.gz RZKMIYYXLQQHEG-HNNXBMFYSA-N 1 0 325.412 4.239 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@H]2C[C@H](CO)c3ccccc32)cc1[N+](=O)[O-] ZINC000364405795 1031296342 /nfs/dbraw/zinc/29/63/42/1031296342.db2.gz YNSIFSZBRBKPRZ-BEFAXECRSA-N 1 0 340.423 4.029 20 5 EIBDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897460159 1031386610 /nfs/dbraw/zinc/38/66/10/1031386610.db2.gz FIXDXJWFRAJMFJ-UDFDBXRZSA-N 1 0 342.376 4.011 20 5 EIBDRO CC(C)(C)OCc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000236574930 1031514804 /nfs/dbraw/zinc/51/48/04/1031514804.db2.gz OOEFSHWUOONDOV-UHFFFAOYSA-N 1 0 328.412 4.200 20 5 EIBDRO COCCC1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000449258183 1031572317 /nfs/dbraw/zinc/57/23/17/1031572317.db2.gz OPPJKNMECKODJN-INIZCTEOSA-N 1 0 334.460 4.102 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000453105926 1031597484 /nfs/dbraw/zinc/59/74/84/1031597484.db2.gz IHOTWHKRKPPDCD-IAQYHMDHSA-N 1 0 332.425 4.393 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@H](C)c2ccsc21 ZINC000453105927 1031598810 /nfs/dbraw/zinc/59/88/10/1031598810.db2.gz IHOTWHKRKPPDCD-NHYWBVRUSA-N 1 0 332.425 4.393 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)CCCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000453147724 1031626362 /nfs/dbraw/zinc/62/63/62/1031626362.db2.gz YQWFZKWZVDZLSA-DNVCBOLYSA-N 1 0 327.428 4.442 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCC[C@H](c2cccnc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000449348648 1031643301 /nfs/dbraw/zinc/64/33/01/1031643301.db2.gz MRFLACZWJNVOIB-ZVZYQTTQSA-N 1 0 325.412 4.367 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000136726053 1031663155 /nfs/dbraw/zinc/66/31/55/1031663155.db2.gz GWSHGRXVFNVCJG-JKNJVXJCSA-N 1 0 330.428 4.080 20 5 EIBDRO COC[C@]1(C)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000449397883 1031701432 /nfs/dbraw/zinc/70/14/32/1031701432.db2.gz WGRGZKBLMGIFCA-GOSISDBHSA-N 1 0 346.452 4.182 20 5 EIBDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000453196120 1031706014 /nfs/dbraw/zinc/70/60/14/1031706014.db2.gz LJINXOFDRJTCFG-CYBMUJFWSA-N 1 0 333.819 4.144 20 5 EIBDRO CCO[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000449495019 1031803402 /nfs/dbraw/zinc/80/34/02/1031803402.db2.gz NTKLNKXAQTXCNX-KBXCAEBGSA-N 1 0 344.411 4.102 20 5 EIBDRO CCO[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000449501733 1031810141 /nfs/dbraw/zinc/81/01/41/1031810141.db2.gz WBKZSDDTANMABX-KBXCAEBGSA-N 1 0 344.411 4.102 20 5 EIBDRO CCO[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000449501737 1031810499 /nfs/dbraw/zinc/81/04/99/1031810499.db2.gz WBKZSDDTANMABX-KSSFIOAISA-N 1 0 344.411 4.102 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1c[nH]c2ccccc12 ZINC000531932696 1031840440 /nfs/dbraw/zinc/84/04/40/1031840440.db2.gz BGNAOCPARRXIKK-OAHLLOKOSA-N 1 0 337.423 4.230 20 5 EIBDRO CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000453323407 1031849476 /nfs/dbraw/zinc/84/94/76/1031849476.db2.gz UFONPAONQJSZRM-CCKFTAQKSA-N 1 0 332.444 4.013 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000453388159 1031898122 /nfs/dbraw/zinc/89/81/22/1031898122.db2.gz OZJWYXKPUYNKPM-NOLJZWGESA-N 1 0 332.425 4.227 20 5 EIBDRO CC[C@H](COC)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000531969744 1031901116 /nfs/dbraw/zinc/90/11/16/1031901116.db2.gz HCVKHNBLZVZDII-QWHCGFSZSA-N 1 0 334.441 4.399 20 5 EIBDRO Cc1cc(C)c(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000453362151 1031903647 /nfs/dbraw/zinc/90/36/47/1031903647.db2.gz NLTJMSDMMPEHLT-SFHVURJKSA-N 1 0 325.412 4.119 20 5 EIBDRO C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000531995224 1031962011 /nfs/dbraw/zinc/96/20/11/1031962011.db2.gz HQLIZRKLBICBKY-SCLBCKFNSA-N 1 0 347.846 4.202 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)cs1 ZINC000453597154 1032018024 /nfs/dbraw/zinc/01/80/24/1032018024.db2.gz BYMKTANLGDYOAY-QGZVFWFLSA-N 1 0 346.452 4.040 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2CCCNc3ccccc32)cc1 ZINC000573487050 1033378156 /nfs/dbraw/zinc/37/81/56/1033378156.db2.gz XXXXWEZOSBXTDM-FQEVSTJZSA-N 1 0 339.439 4.454 20 5 EIBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC000573639615 1033417190 /nfs/dbraw/zinc/41/71/90/1033417190.db2.gz FCDNJYVFKIGYMF-GQSKFBFOSA-N 1 0 348.406 4.145 20 5 EIBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000120458775 1033707179 /nfs/dbraw/zinc/70/71/79/1033707179.db2.gz WOISASOBKWNIAX-AWEZNQCLSA-N 1 0 349.390 4.037 20 5 EIBDRO CSC1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000433066602 1033774268 /nfs/dbraw/zinc/77/42/68/1033774268.db2.gz KCVMNUXRUTVQKU-GDBMZVCRSA-N 1 0 334.485 4.181 20 5 EIBDRO CCc1nc(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cs1 ZINC000433162125 1033952018 /nfs/dbraw/zinc/95/20/18/1033952018.db2.gz LMOQTXFANOZSLI-INIZCTEOSA-N 1 0 345.468 4.168 20 5 EIBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433163412 1033959309 /nfs/dbraw/zinc/95/93/09/1033959309.db2.gz BRYQFOUSFDXZPO-DJJJIMSYSA-N 1 0 340.423 4.244 20 5 EIBDRO CC(C)(O)C(C)(C)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000453381196 1034042101 /nfs/dbraw/zinc/04/21/01/1034042101.db2.gz XGMILBHRGYRTKI-SFHVURJKSA-N 1 0 342.439 4.071 20 5 EIBDRO CC1(C)C[C@H]([NH2+]CC2(CCO)CCCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433285944 1034172289 /nfs/dbraw/zinc/17/22/89/1034172289.db2.gz IVGSDRGDFBYJMW-SFHVURJKSA-N 1 0 346.471 4.240 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(C4CCC4)cc3)nc2c1 ZINC000513271333 1034863768 /nfs/dbraw/zinc/86/37/68/1034863768.db2.gz KEZMBIKDCJNWNL-UHFFFAOYSA-N 1 0 336.395 4.028 20 5 EIBDRO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182759340 1034988362 /nfs/dbraw/zinc/98/83/62/1034988362.db2.gz TZTUQCMZKUJFAI-RDTXWAMCSA-N 1 0 342.443 4.152 20 5 EIBDRO CSc1ccccc1[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000501520776 1035458195 /nfs/dbraw/zinc/45/81/95/1035458195.db2.gz WZBQOTCCSNASTK-CYBMUJFWSA-N 1 0 332.425 4.046 20 5 EIBDRO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595017897 1035507900 /nfs/dbraw/zinc/50/79/00/1035507900.db2.gz WYPYVHUZVHQHFA-KGLIPLIRSA-N 1 0 344.411 4.414 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](c1cccnc1)C(C)C ZINC000595015081 1035508916 /nfs/dbraw/zinc/50/89/16/1035508916.db2.gz WYZLRUPBJYIRBQ-KSSFIOAISA-N 1 0 343.427 4.089 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc3cnccc3o2)cc1[N+](=O)[O-] ZINC000595030237 1035558849 /nfs/dbraw/zinc/55/88/49/1035558849.db2.gz ZQAXFPGMQFNVAD-CHWSQXEVSA-N 1 0 325.368 4.456 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)Nc1cc(C[NH+](C)C)ccc1C ZINC000595032228 1035560588 /nfs/dbraw/zinc/56/05/88/1035560588.db2.gz IUBNKJUAECGZFD-AWEZNQCLSA-N 1 0 343.427 4.147 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000595031633 1035560849 /nfs/dbraw/zinc/56/08/49/1035560849.db2.gz ASVLPLJXAXBDJS-ABAIWWIYSA-N 1 0 332.425 4.393 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccnc2ccccc12 ZINC000595074412 1035589111 /nfs/dbraw/zinc/58/91/11/1035589111.db2.gz RKTVLYOHTHGQOJ-MRXNPFEDSA-N 1 0 349.434 4.296 20 5 EIBDRO C[C@]1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000595080256 1035593262 /nfs/dbraw/zinc/59/32/62/1035593262.db2.gz PLFJUENTHHFGGX-IAGOWNOFSA-N 1 0 332.350 4.319 20 5 EIBDRO COCc1csc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000595078072 1035593527 /nfs/dbraw/zinc/59/35/27/1035593527.db2.gz SMQSAUPYDJRJDL-GOSISDBHSA-N 1 0 346.452 4.360 20 5 EIBDRO CC[C@H]([NH2+][C@H](c1ccccc1)[C@@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595094082 1035602492 /nfs/dbraw/zinc/60/24/92/1035602492.db2.gz BVWCDCRFOYJNHT-ZCNNSNEGSA-N 1 0 342.439 4.394 20 5 EIBDRO CC[C@H](C)[N@H+](C)CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491050206 1035791543 /nfs/dbraw/zinc/79/15/43/1035791543.db2.gz GZXUAQCZSXGTHL-OXJNMPFZSA-N 1 0 341.455 4.004 20 5 EIBDRO COc1cccc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000491092942 1035807136 /nfs/dbraw/zinc/80/71/36/1035807136.db2.gz URVLDDLFZJUUNU-UHFFFAOYSA-N 1 0 344.386 4.122 20 5 EIBDRO CCC[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000596649042 1035955308 /nfs/dbraw/zinc/95/53/08/1035955308.db2.gz ALXPSFIWXNITFB-MOPGFXCFSA-N 1 0 325.412 4.295 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(CN3C[C@@H]4CCCC[C@@H]43)cs2)c1 ZINC000597160101 1036138289 /nfs/dbraw/zinc/13/82/89/1036138289.db2.gz ZPFPMCKIXPUNBW-BBRMVZONSA-N 1 0 329.425 4.093 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCO[C@H](c2ccccc2)C1 ZINC000485797552 1036278896 /nfs/dbraw/zinc/27/88/96/1036278896.db2.gz YMNKDWQRDMYLLR-BEFAXECRSA-N 1 0 326.396 4.038 20 5 EIBDRO CCC1(CC)CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000485862147 1036331990 /nfs/dbraw/zinc/33/19/90/1036331990.db2.gz KHGMIEACYXIOLT-UHFFFAOYSA-N 1 0 344.415 4.047 20 5 EIBDRO CC[C@H]1C[C@@]1([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1cccc(C)c1 ZINC000502596397 1036388832 /nfs/dbraw/zinc/38/88/32/1036388832.db2.gz QAJHBNGVMPDKFW-JXFKEZNVSA-N 1 0 340.423 4.327 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCSc2ccc(F)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293735219 1036416882 /nfs/dbraw/zinc/41/68/82/1036416882.db2.gz NEPALPPUOCRXFJ-BMIGLBTASA-N 1 0 347.415 4.204 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3coc4ccccc34)c2c1 ZINC000588933862 1036609191 /nfs/dbraw/zinc/60/91/91/1036609191.db2.gz HHUMAMPHMURTIB-UHFFFAOYSA-N 1 0 335.363 4.155 20 5 EIBDRO Cc1nc([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)s1 ZINC000588959522 1036621067 /nfs/dbraw/zinc/62/10/67/1036621067.db2.gz GAJLOZTWHNTTNE-JTQLQIEISA-N 1 0 344.440 4.043 20 5 EIBDRO Cc1ncc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)s1 ZINC000602956243 1036685032 /nfs/dbraw/zinc/68/50/32/1036685032.db2.gz NCWVYBVRDVGYNG-QMMMGPOBSA-N 1 0 345.346 4.229 20 5 EIBDRO C[C@H](C[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000603057002 1036713946 /nfs/dbraw/zinc/71/39/46/1036713946.db2.gz YBAOMPHPVZFQBZ-OLZOCXBDSA-N 1 0 346.431 4.320 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cncc(Cl)c3)C2)cc1 ZINC000598620642 1036716448 /nfs/dbraw/zinc/71/64/48/1036716448.db2.gz MEPYNGYEAIVDEA-HNNXBMFYSA-N 1 0 331.803 4.023 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cncc(Cl)c3)C2)cc1 ZINC000598620643 1036717891 /nfs/dbraw/zinc/71/78/91/1036717891.db2.gz MEPYNGYEAIVDEA-OAHLLOKOSA-N 1 0 331.803 4.023 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CC1(F)F ZINC000598679863 1036744709 /nfs/dbraw/zinc/74/47/09/1036744709.db2.gz OKYJGZOTHHPNGB-VXGBXAGGSA-N 1 0 330.400 4.100 20 5 EIBDRO Cc1cc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc(C)n1 ZINC000421850560 1036806212 /nfs/dbraw/zinc/80/62/12/1036806212.db2.gz DJFSBPWODJWPPH-LJQANCHMSA-N 1 0 325.412 4.164 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC13CCSCC3)CCC2 ZINC000421889281 1036835003 /nfs/dbraw/zinc/83/50/03/1036835003.db2.gz UIYQCHRRHUVSGO-YOEHRIQHSA-N 1 0 332.469 4.095 20 5 EIBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccsc2C(F)(F)F)c1 ZINC000598978848 1036838296 /nfs/dbraw/zinc/83/82/96/1036838296.db2.gz WXZRFUXUULXFOA-UHFFFAOYSA-N 1 0 330.331 4.007 20 5 EIBDRO CCCCC[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486795178 1036855757 /nfs/dbraw/zinc/85/57/57/1036855757.db2.gz QCNPIZWCBAQKSV-OAHLLOKOSA-N 1 0 344.415 4.190 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CC[C@H]2CCCOC2)c2ccccc2)c1 ZINC000599057411 1036864705 /nfs/dbraw/zinc/86/47/05/1036864705.db2.gz OMOJLSSTUPIUAT-OXQOHEQNSA-N 1 0 340.423 4.091 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC4(CC4(F)F)CC3)o2)cc1 ZINC000593674277 1036873133 /nfs/dbraw/zinc/87/31/33/1036873133.db2.gz YABYAHNTXOSOPU-UHFFFAOYSA-N 1 0 348.349 4.476 20 5 EIBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)s1 ZINC000603661572 1036930181 /nfs/dbraw/zinc/93/01/81/1036930181.db2.gz FFNQDSCMJVRQBA-UHFFFAOYSA-N 1 0 340.832 4.211 20 5 EIBDRO Cc1ccc([C@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000603836951 1037032204 /nfs/dbraw/zinc/03/22/04/1037032204.db2.gz DCAMWXVHDIHRBM-QGZVFWFLSA-N 1 0 326.396 4.119 20 5 EIBDRO Cc1ccsc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487199796 1037044351 /nfs/dbraw/zinc/04/43/51/1037044351.db2.gz NJBFHFUKEUVFCX-UHFFFAOYSA-N 1 0 330.331 4.273 20 5 EIBDRO COc1ccc(C[N@@H+]2CCC[C@H]2CCc2ccccc2)cc1[N+](=O)[O-] ZINC000603855855 1037051187 /nfs/dbraw/zinc/05/11/87/1037051187.db2.gz ZDPNPKQWNKXECW-SFHVURJKSA-N 1 0 340.423 4.201 20 5 EIBDRO COc1ccc(C[N@H+](C)[C@@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000603856762 1037051396 /nfs/dbraw/zinc/05/13/96/1037051396.db2.gz WAOMLFPAABPTLP-LBPRGKRZSA-N 1 0 334.803 4.450 20 5 EIBDRO C[N@H+](CCCOc1cccc(Cl)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000603869782 1037065130 /nfs/dbraw/zinc/06/51/30/1037065130.db2.gz LYFGLZFGXAQBQC-UHFFFAOYSA-N 1 0 334.803 4.149 20 5 EIBDRO CC(C)(C)[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000603870426 1037067285 /nfs/dbraw/zinc/06/72/85/1037067285.db2.gz HUCZLWVWZQAIIX-UHFFFAOYSA-N 1 0 345.365 4.288 20 5 EIBDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000603860175 1037070505 /nfs/dbraw/zinc/07/05/05/1037070505.db2.gz YNGIHBWFXYWHLL-OAHLLOKOSA-N 1 0 342.443 4.067 20 5 EIBDRO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599670831 1037114265 /nfs/dbraw/zinc/11/42/65/1037114265.db2.gz KBEDRTZKXLGBLG-KSSFIOAISA-N 1 0 327.384 4.014 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590599985 1037114616 /nfs/dbraw/zinc/11/46/16/1037114616.db2.gz INPBYQXFNFVGBK-HOTGVXAUSA-N 1 0 325.412 4.239 20 5 EIBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000604013534 1037147249 /nfs/dbraw/zinc/14/72/49/1037147249.db2.gz OCMWYXLKIZUHRT-LJQANCHMSA-N 1 0 344.386 4.340 20 5 EIBDRO COc1ccc([C@@H](C)[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000604012473 1037147581 /nfs/dbraw/zinc/14/75/81/1037147581.db2.gz GSAKFUQQESTIBX-OAHLLOKOSA-N 1 0 344.411 4.065 20 5 EIBDRO COc1ccc2ccccc2c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000058092833 1037483547 /nfs/dbraw/zinc/48/35/47/1037483547.db2.gz IMJGPUCLCYZFIR-UHFFFAOYSA-N 1 0 336.391 4.089 20 5 EIBDRO CC(C)(C)CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131298 1037739874 /nfs/dbraw/zinc/73/98/74/1037739874.db2.gz WNGFCEGEBUZNDZ-QAQDUYKDSA-N 1 0 334.460 4.137 20 5 EIBDRO COc1cc(C[NH2+][C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000503407026 1037741031 /nfs/dbraw/zinc/74/10/31/1037741031.db2.gz MVSXHOXZLWZRRN-SGTLLEGYSA-N 1 0 346.814 4.282 20 5 EIBDRO Cc1cccnc1C(C)(C)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000573965214 1037796571 /nfs/dbraw/zinc/79/65/71/1037796571.db2.gz JPURODNZJXHWOI-UHFFFAOYSA-N 1 0 341.455 4.489 20 5 EIBDRO CC(C)c1ccc(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)cc1[N+](=O)[O-] ZINC000592529447 1037825705 /nfs/dbraw/zinc/82/57/05/1037825705.db2.gz ZSTKHHDTTLTDRC-HNNXBMFYSA-N 1 0 332.444 4.109 20 5 EIBDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000489062218 1037855034 /nfs/dbraw/zinc/85/50/34/1037855034.db2.gz DRQZBZORPIWDFF-FZKQIMNGSA-N 1 0 348.468 4.210 20 5 EIBDRO CCCCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000503704188 1037884458 /nfs/dbraw/zinc/88/44/58/1037884458.db2.gz UEHPNPLCYZIISC-UHFFFAOYSA-N 1 0 341.839 4.087 20 5 EIBDRO Cc1csc([C@@H]2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000249909140 1037890238 /nfs/dbraw/zinc/89/02/38/1037890238.db2.gz VPQOIYZFELTWJW-UKRRQHHQSA-N 1 0 331.441 4.300 20 5 EIBDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000574192532 1037948838 /nfs/dbraw/zinc/94/88/38/1037948838.db2.gz IMEVPUNJWXODSW-SFHVURJKSA-N 1 0 344.411 4.195 20 5 EIBDRO CCC[C@@H]([NH2+][C@@H](CCO)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000592401829 1038000871 /nfs/dbraw/zinc/00/08/71/1038000871.db2.gz DARBJLVWOXUETE-MOPGFXCFSA-N 1 0 346.402 4.288 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490017010 1038315196 /nfs/dbraw/zinc/31/51/96/1038315196.db2.gz XESOBGCVZMUMIK-MAUKXSAKSA-N 1 0 325.412 4.232 20 5 EIBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC000078542634 1038396241 /nfs/dbraw/zinc/39/62/41/1038396241.db2.gz IWMQVIMNFBDYIW-NSHDSACASA-N 1 0 340.301 4.344 20 5 EIBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000059394161 1038484383 /nfs/dbraw/zinc/48/43/83/1038484383.db2.gz WBPRQFBZARVFDD-MRXNPFEDSA-N 1 0 337.782 4.102 20 5 EIBDRO C[C@@]1(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1(F)F ZINC000594978683 1038485320 /nfs/dbraw/zinc/48/53/20/1038485320.db2.gz VJMFLDUISMJKNC-MRXNPFEDSA-N 1 0 336.338 4.380 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C[C@H]1CCCO1 ZINC000504894652 1038841954 /nfs/dbraw/zinc/84/19/54/1038841954.db2.gz NODKLVHXVRQDNE-RBSFLKMASA-N 1 0 338.473 4.013 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]CCCOCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000480909360 1038867759 /nfs/dbraw/zinc/86/77/59/1038867759.db2.gz OWQGVUKHTHNJLM-QGZVFWFLSA-N 1 0 342.439 4.203 20 5 EIBDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000539227328 1038893110 /nfs/dbraw/zinc/89/31/10/1038893110.db2.gz ZRRBBKGLRZTCQK-HNNXBMFYSA-N 1 0 344.411 4.112 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)COc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000481046854 1038982324 /nfs/dbraw/zinc/98/23/24/1038982324.db2.gz ZMPIXWKZVQQQPE-JSGCOSHPSA-N 1 0 332.375 4.160 20 5 EIBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000537623381 1039004605 /nfs/dbraw/zinc/00/46/05/1039004605.db2.gz DSBDKBGFJGGHSZ-BBRMVZONSA-N 1 0 346.452 4.059 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000237934635 1039044448 /nfs/dbraw/zinc/04/44/48/1039044448.db2.gz CWUADHWSFNYCKG-HXUWFJFHSA-N 1 0 340.423 4.169 20 5 EIBDRO C[C@H](CCc1ccc(F)cc1F)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000552043948 1039062698 /nfs/dbraw/zinc/06/26/98/1039062698.db2.gz HXMFSAVZPVLCHE-CYBMUJFWSA-N 1 0 334.366 4.026 20 5 EIBDRO CC[C@H]1CCCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000505362519 1039247120 /nfs/dbraw/zinc/24/71/20/1039247120.db2.gz PWXTXDOMRPBFTE-HNNXBMFYSA-N 1 0 331.441 4.483 20 5 EIBDRO CO[C@@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000513896571 1039355643 /nfs/dbraw/zinc/35/56/43/1039355643.db2.gz ATZQANUUMROEBR-KRWDZBQOSA-N 1 0 334.803 4.068 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000552333333 1039388200 /nfs/dbraw/zinc/38/82/00/1039388200.db2.gz BKZKMWJVULTINV-ZIAGYGMSSA-N 1 0 338.411 4.143 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]CC2(c3ccccn3)CCC2)cc1[N+](=O)[O-] ZINC000552336756 1039402487 /nfs/dbraw/zinc/40/24/87/1039402487.db2.gz IQSBFLVKRQMVSV-OAHLLOKOSA-N 1 0 325.412 4.071 20 5 EIBDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000481476463 1039488088 /nfs/dbraw/zinc/48/80/88/1039488088.db2.gz ACQYNTBESXTGAL-SJKOYZFVSA-N 1 0 334.803 4.114 20 5 EIBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000481537415 1039553107 /nfs/dbraw/zinc/55/31/07/1039553107.db2.gz BYVYONJRJGDJGY-BMIGLBTASA-N 1 0 340.832 4.176 20 5 EIBDRO COc1ccc(C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)cc1[N+](=O)[O-] ZINC000534646230 1039622093 /nfs/dbraw/zinc/62/20/93/1039622093.db2.gz MMTMHNCGVPTFJB-IBGZPJMESA-N 1 0 344.386 4.292 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000481720303 1039800307 /nfs/dbraw/zinc/80/03/07/1039800307.db2.gz VHMZNGAEYZUEOD-OAHLLOKOSA-N 1 0 335.407 4.345 20 5 EIBDRO CCc1noc(C)c1C[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000550864422 1039805278 /nfs/dbraw/zinc/80/52/78/1039805278.db2.gz YBMRKGFSHRIYNM-ZDUSSCGKSA-N 1 0 349.456 4.114 20 5 EIBDRO C[C@@H]1Cc2ccccc2CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534853574 1039813851 /nfs/dbraw/zinc/81/38/51/1039813851.db2.gz FZLGXJJTABUBPM-CQSZACIVSA-N 1 0 349.390 4.197 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H]3Cc3ccccc3)co2)cc1 ZINC000534842225 1039818084 /nfs/dbraw/zinc/81/80/84/1039818084.db2.gz SGTBIDGFSCKAMX-IBGZPJMESA-N 1 0 349.390 4.067 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCCO1 ZINC000535201391 1040044890 /nfs/dbraw/zinc/04/48/90/1040044890.db2.gz KJQJERCDHZOTJX-DOTOQJQBSA-N 1 0 346.452 4.371 20 5 EIBDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000535562441 1040360394 /nfs/dbraw/zinc/36/03/94/1040360394.db2.gz XPEVXYQZNGANLT-CXAGYDPISA-N 1 0 329.400 4.260 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)cc1 ZINC000325422281 1040395051 /nfs/dbraw/zinc/39/50/51/1040395051.db2.gz OJTWNPOWIUGSNB-UHFFFAOYSA-N 1 0 342.292 4.085 20 5 EIBDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000479495654 1040404916 /nfs/dbraw/zinc/40/49/16/1040404916.db2.gz KXGYOMZPNUMACR-APWZRJJASA-N 1 0 342.439 4.283 20 5 EIBDRO CCCOc1ccc(C[NH2+][C@H](CCC)c2cccc([N+](=O)[O-])c2)cn1 ZINC000482638034 1040410491 /nfs/dbraw/zinc/41/04/91/1040410491.db2.gz CHIXVARYTKYFCJ-GOSISDBHSA-N 1 0 343.427 4.410 20 5 EIBDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000152796238 1040443213 /nfs/dbraw/zinc/44/32/13/1040443213.db2.gz SMCWZSXRLUEILN-CHWSQXEVSA-N 1 0 330.384 4.024 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000539507840 1040501197 /nfs/dbraw/zinc/50/11/97/1040501197.db2.gz JXZNTBLQQRDAIO-NJSLBKSFSA-N 1 0 346.402 4.469 20 5 EIBDRO CCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000462391929 1040547270 /nfs/dbraw/zinc/54/72/70/1040547270.db2.gz ZNXPNQZOWXOLHC-UHFFFAOYSA-N 1 0 345.365 4.290 20 5 EIBDRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000467336924 1040618487 /nfs/dbraw/zinc/61/84/87/1040618487.db2.gz ZBDPWQIRLNHDPC-IAGOWNOFSA-N 1 0 325.412 4.114 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000435783785 1040632088 /nfs/dbraw/zinc/63/20/88/1040632088.db2.gz ZKRRLZNXSZFLAM-JCNLHEQBSA-N 1 0 326.396 4.029 20 5 EIBDRO Cc1c(CNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000477739531 1040746853 /nfs/dbraw/zinc/74/68/53/1040746853.db2.gz CKKIGJAHVNZRBD-HNAYVOBHSA-N 1 0 345.487 4.036 20 5 EIBDRO CS[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000483182999 1040755596 /nfs/dbraw/zinc/75/55/96/1040755596.db2.gz MRXAXGMPGZQPSF-BBWFWOEESA-N 1 0 334.485 4.180 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000539861752 1040846217 /nfs/dbraw/zinc/84/62/17/1040846217.db2.gz BHICDXVWICIPEZ-UITAMQMPSA-N 1 0 344.455 4.279 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1c1cccc(F)c1 ZINC000515552884 1040850439 /nfs/dbraw/zinc/85/04/39/1040850439.db2.gz QJTXHGWWUNBOCD-KRWDZBQOSA-N 1 0 330.359 4.080 20 5 EIBDRO CC[C@H]([NH2+]C[C@@H](C)Oc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000483631873 1040923459 /nfs/dbraw/zinc/92/34/59/1040923459.db2.gz CJAWPTLDBLAOBX-KUHUBIRLSA-N 1 0 344.411 4.112 20 5 EIBDRO CCc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000537976614 1040946921 /nfs/dbraw/zinc/94/69/21/1040946921.db2.gz DCCMUIFAQQCQOZ-SCLBCKFNSA-N 1 0 326.396 4.332 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)Cc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000537979657 1040949280 /nfs/dbraw/zinc/94/92/80/1040949280.db2.gz PDQIVSAVYYVTHV-LIRRHRJNSA-N 1 0 328.412 4.275 20 5 EIBDRO COc1cccc(OCCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000537981344 1040953840 /nfs/dbraw/zinc/95/38/40/1040953840.db2.gz HWJLZXIJJXTKRA-OAHLLOKOSA-N 1 0 344.411 4.032 20 5 EIBDRO COc1cccc(OCCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000537981343 1040954663 /nfs/dbraw/zinc/95/46/63/1040954663.db2.gz HWJLZXIJJXTKRA-HNNXBMFYSA-N 1 0 344.411 4.032 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000554360293 1041034926 /nfs/dbraw/zinc/03/49/26/1041034926.db2.gz PFEWWJHSGJUYDO-VYDXJSESSA-N 1 0 334.485 4.039 20 5 EIBDRO CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000554372513 1041059009 /nfs/dbraw/zinc/05/90/09/1041059009.db2.gz MSMAWPUUVDSWBC-UONOGXRCSA-N 1 0 348.468 4.238 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C)[C@@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540152374 1041201126 /nfs/dbraw/zinc/20/11/26/1041201126.db2.gz ZPOPYTQUEMSOHH-XPGWFJOJSA-N 1 0 342.439 4.018 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1nc2c(s1)CCCC2 ZINC000540154154 1041204226 /nfs/dbraw/zinc/20/42/26/1041204226.db2.gz WTVYYCCOFZSODK-CYBMUJFWSA-N 1 0 345.468 4.132 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000484310118 1041205158 /nfs/dbraw/zinc/20/51/58/1041205158.db2.gz PHQXAQLSBFEEPK-XJKSGUPXSA-N 1 0 345.830 4.178 20 5 EIBDRO CSc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000568511285 1041232622 /nfs/dbraw/zinc/23/26/22/1041232622.db2.gz RYQSTPQGLBVYKW-QGZVFWFLSA-N 1 0 328.437 4.484 20 5 EIBDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1F ZINC000484467410 1041245387 /nfs/dbraw/zinc/24/53/87/1041245387.db2.gz NZOVSNVKWOJWAM-BBRMVZONSA-N 1 0 332.375 4.242 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000480477940 1041318681 /nfs/dbraw/zinc/31/86/81/1041318681.db2.gz BYZYVOHJFAMBIM-JKNJVXJCSA-N 1 0 330.428 4.080 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000538408176 1041324081 /nfs/dbraw/zinc/32/40/81/1041324081.db2.gz BSJQVAQWHJXTJS-KSMMKXTCSA-N 1 0 346.402 4.469 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000538408182 1041324741 /nfs/dbraw/zinc/32/47/41/1041324741.db2.gz BSJQVAQWHJXTJS-TYILLQQXSA-N 1 0 346.402 4.469 20 5 EIBDRO CCc1cnccc1[C@@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000540316616 1041364366 /nfs/dbraw/zinc/36/43/66/1041364366.db2.gz ZFUKJPDKZMBCLR-HUUCEWRRSA-N 1 0 327.428 4.224 20 5 EIBDRO C[C@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000554742570 1041372999 /nfs/dbraw/zinc/37/29/99/1041372999.db2.gz YCUSUOSSFCUWCB-GDIGMMSISA-N 1 0 326.396 4.166 20 5 EIBDRO C[C@H](C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000480659629 1041458768 /nfs/dbraw/zinc/45/87/68/1041458768.db2.gz NIHQGUBWPACUFB-WBMJQRKESA-N 1 0 338.329 4.472 20 5 EIBDRO C[C@H]1CCC[C@H](C)[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000538726799 1041497556 /nfs/dbraw/zinc/49/75/56/1041497556.db2.gz YJQCWHAHASNPTR-GJZGRUSLSA-N 1 0 342.443 4.006 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540605423 1041558240 /nfs/dbraw/zinc/55/82/40/1041558240.db2.gz FRMIKZUHCMLIIB-KSMMKXTCSA-N 1 0 346.402 4.469 20 5 EIBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000460351951 1041812447 /nfs/dbraw/zinc/81/24/47/1041812447.db2.gz BLPSPJRPXZPCAK-CZUORRHYSA-N 1 0 344.415 4.093 20 5 EIBDRO COc1cccc(C2=CC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000437592634 1041847003 /nfs/dbraw/zinc/84/70/03/1041847003.db2.gz LZNHSZLPYLPWFF-OAHLLOKOSA-N 1 0 338.407 4.454 20 5 EIBDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000541377657 1041918350 /nfs/dbraw/zinc/91/83/50/1041918350.db2.gz DMXUVZUAQIGKRL-INIZCTEOSA-N 1 0 346.427 4.049 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCOC3CCCCC3)o2)cc1 ZINC000517544301 1042066226 /nfs/dbraw/zinc/06/62/26/1042066226.db2.gz FBITXTFMVPYFMJ-UHFFFAOYSA-N 1 0 344.411 4.294 20 5 EIBDRO C[N@H+](CC[C@H]1CCCO1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000467366835 1042116840 /nfs/dbraw/zinc/11/68/40/1042116840.db2.gz BDPBUZYARRPAPV-MRXNPFEDSA-N 1 0 346.452 4.324 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1cccnc1OCC)c1cccc([N+](=O)[O-])c1 ZINC000151199131 1042170643 /nfs/dbraw/zinc/17/06/43/1042170643.db2.gz BAKGHVUVLKPKFY-QGZVFWFLSA-N 1 0 329.400 4.020 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC000090217627 1042183988 /nfs/dbraw/zinc/18/39/88/1042183988.db2.gz XDAWKMBXDOOQNO-OLZOCXBDSA-N 1 0 332.375 4.463 20 5 EIBDRO COCc1cc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])ccc1OC ZINC000271777226 1042360436 /nfs/dbraw/zinc/36/04/36/1042360436.db2.gz KZNCOUZGOGOSEE-UONOGXRCSA-N 1 0 344.411 4.162 20 5 EIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000542320317 1042387124 /nfs/dbraw/zinc/38/71/24/1042387124.db2.gz GBCBAMHJYRXUEL-GXTWGEPZSA-N 1 0 344.415 4.074 20 5 EIBDRO CC(=O)N1CCC([NH2+]Cc2c3ccccc3cc3ccccc32)CC1 ZINC000017316984 1042438233 /nfs/dbraw/zinc/43/82/33/1042438233.db2.gz WPVVLRZCQKWCLU-UHFFFAOYSA-N 1 0 332.447 4.094 20 5 EIBDRO C[N@H+](CCc1cccs1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549862608 1042440469 /nfs/dbraw/zinc/44/04/69/1042440469.db2.gz VYSUQYUFDGBTSC-UHFFFAOYSA-N 1 0 344.358 4.350 20 5 EIBDRO CC(C)CCOCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000518280545 1042451044 /nfs/dbraw/zinc/45/10/44/1042451044.db2.gz WUOOOJHVIPYMHD-UHFFFAOYSA-N 1 0 332.400 4.007 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000271855626 1042461989 /nfs/dbraw/zinc/46/19/89/1042461989.db2.gz YGWUXOSTAJCBID-CHWSQXEVSA-N 1 0 329.356 4.223 20 5 EIBDRO CC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H](C)Cc1ccc(OC)cc1 ZINC000506497771 1042524514 /nfs/dbraw/zinc/52/45/14/1042524514.db2.gz YTWHJKHGPDRZJF-CYBMUJFWSA-N 1 0 334.441 4.118 20 5 EIBDRO CCOc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OCC)c2)cc1 ZINC000492356819 1042622755 /nfs/dbraw/zinc/62/27/55/1042622755.db2.gz LMPKWYOHBOPXJH-UHFFFAOYSA-N 1 0 344.411 4.024 20 5 EIBDRO CCOc1cc(C[NH2+][C@H](c2ccccc2)C(C)C)ccc1[N+](=O)[O-] ZINC000492530065 1042684157 /nfs/dbraw/zinc/68/41/57/1042684157.db2.gz DBXWZSBNQUQDJM-IBGZPJMESA-N 1 0 328.412 4.480 20 5 EIBDRO Cc1ccc([C@H](C)NCc2cnc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000443987043 1042728689 /nfs/dbraw/zinc/72/86/89/1042728689.db2.gz IEDJEKFGIWACEV-VIFPVBQESA-N 1 0 345.346 4.229 20 5 EIBDRO COc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)C(C)C)cc1 ZINC000493012557 1042791023 /nfs/dbraw/zinc/79/10/23/1042791023.db2.gz ZEHQEGDEKRNRDH-IBGZPJMESA-N 1 0 344.411 4.099 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000506721849 1042809557 /nfs/dbraw/zinc/80/95/57/1042809557.db2.gz JHGGQPLBDZZUMC-MRXNPFEDSA-N 1 0 339.439 4.388 20 5 EIBDRO CCS[C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761527276 1042875614 /nfs/dbraw/zinc/87/56/14/1042875614.db2.gz REWXTMCNUSJQLR-OLZOCXBDSA-N 1 0 328.865 4.402 20 5 EIBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000184704414 1042884145 /nfs/dbraw/zinc/88/41/45/1042884145.db2.gz JFMRTVBWARUUFB-BBRMVZONSA-N 1 0 344.415 4.093 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2CCCSC2)c2ccccc2)c1 ZINC000493249570 1042888878 /nfs/dbraw/zinc/88/88/78/1042888878.db2.gz QITBWCUUWYTCRB-FUHWJXTLSA-N 1 0 328.437 4.169 20 5 EIBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H](C)Cc1ccsc1 ZINC000614604120 1042914105 /nfs/dbraw/zinc/91/41/05/1042914105.db2.gz VHAQNZMQTYCBBA-LBPRGKRZSA-N 1 0 345.424 4.251 20 5 EIBDRO CCOc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000152792696 1042978094 /nfs/dbraw/zinc/97/80/94/1042978094.db2.gz WESFAUGPXDYADR-ZDUSSCGKSA-N 1 0 332.375 4.292 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000766029233 1043059699 /nfs/dbraw/zinc/05/96/99/1043059699.db2.gz POSHQVIUHGGYDC-AGRHKRQWSA-N 1 0 346.402 4.287 20 5 EIBDRO Cc1c([C@H](C)[NH2+]C2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000132767921 1043193849 /nfs/dbraw/zinc/19/38/49/1043193849.db2.gz RXFIJDQHKDQICG-INIZCTEOSA-N 1 0 339.439 4.223 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000427960569 1043268509 /nfs/dbraw/zinc/26/85/09/1043268509.db2.gz VEQYDKXVAKGALT-INWMFGNUSA-N 1 0 346.452 4.277 20 5 EIBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000428070332 1043316300 /nfs/dbraw/zinc/31/63/00/1043316300.db2.gz NWEVHJZIUGHHKU-QGZVFWFLSA-N 1 0 346.452 4.059 20 5 EIBDRO C[C@@H]1CC(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000338789936 1043323461 /nfs/dbraw/zinc/32/34/61/1043323461.db2.gz VRZMTIMMDNJYAE-PJIJBLCYSA-N 1 0 332.444 4.156 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1(c2nccs2)CCCC1 ZINC000255323104 1043400637 /nfs/dbraw/zinc/40/06/37/1043400637.db2.gz LCNRIDISGJISDO-ALCCZGGFSA-N 1 0 329.425 4.124 20 5 EIBDRO C[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000520948014 1043452931 /nfs/dbraw/zinc/45/29/31/1043452931.db2.gz MLVLAXIJDDAHAK-LBPRGKRZSA-N 1 0 349.228 4.078 20 5 EIBDRO COC1(C[C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC1 ZINC000494504462 1043504250 /nfs/dbraw/zinc/50/42/50/1043504250.db2.gz ITDIZXJGRZSHGS-NSHDSACASA-N 1 0 346.349 4.051 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000521067878 1043512082 /nfs/dbraw/zinc/51/20/82/1043512082.db2.gz DHEUWYLTTQQIIA-SJORKVTESA-N 1 0 342.370 4.225 20 5 EIBDRO O=[N+]([O-])c1cc(F)ccc1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000078495537 1043652547 /nfs/dbraw/zinc/65/25/47/1043652547.db2.gz RZFSMPHSCBBEQE-UHFFFAOYSA-N 1 0 347.415 4.026 20 5 EIBDRO Cc1csc(C2([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])CCCC2)n1 ZINC000171842481 1043688104 /nfs/dbraw/zinc/68/81/04/1043688104.db2.gz OOHXFXDVPZIPRY-SOFGYWHQSA-N 1 0 343.452 4.432 20 5 EIBDRO C[NH+](C)CCc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000731208416 1043719820 /nfs/dbraw/zinc/71/98/20/1043719820.db2.gz JMXNLCVWHRPOEF-UHFFFAOYSA-N 1 0 342.424 4.052 20 5 EIBDRO Cc1c(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000521424607 1043764648 /nfs/dbraw/zinc/76/46/48/1043764648.db2.gz OFAMYUXZNCCSSF-SFHVURJKSA-N 1 0 328.387 4.249 20 5 EIBDRO Cc1c(C[N@@H+](C)C2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000439011812 1043799952 /nfs/dbraw/zinc/79/99/52/1043799952.db2.gz RNIWLAQQMYYBHF-UHFFFAOYSA-N 1 0 339.439 4.004 20 5 EIBDRO C[C@@H]([NH2+]CCCCOCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173366105 1043924023 /nfs/dbraw/zinc/92/40/23/1043924023.db2.gz WXHBGRZWNXDNCP-MRXNPFEDSA-N 1 0 328.412 4.242 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cc(Cl)cc(Cl)c2)cc1 ZINC000521862075 1044036292 /nfs/dbraw/zinc/03/62/92/1044036292.db2.gz KJQKMNSZTFSUHE-UHFFFAOYSA-N 1 0 341.194 4.070 20 5 EIBDRO C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000543227675 1044192732 /nfs/dbraw/zinc/19/27/32/1044192732.db2.gz KJRRINDYFPVEIQ-GJZGRUSLSA-N 1 0 344.411 4.150 20 5 EIBDRO Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000151634848 1044471805 /nfs/dbraw/zinc/47/18/05/1044471805.db2.gz KTSDWVADNBUECF-LBPRGKRZSA-N 1 0 336.338 4.355 20 5 EIBDRO Cc1cc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000301970630 1044529949 /nfs/dbraw/zinc/52/99/49/1044529949.db2.gz DVXYYXGKLROEEG-WMZOPIPTSA-N 1 0 347.365 4.039 20 5 EIBDRO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000301970627 1044530259 /nfs/dbraw/zinc/53/02/59/1044530259.db2.gz DVXYYXGKLROEEG-AEFFLSMTSA-N 1 0 347.365 4.039 20 5 EIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000734488312 1044583836 /nfs/dbraw/zinc/58/38/36/1044583836.db2.gz VDMHWVHCKVMQTP-UHFFFAOYSA-N 1 0 332.350 4.285 20 5 EIBDRO CCCC[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCC1 ZINC000543454708 1044634999 /nfs/dbraw/zinc/63/49/99/1044634999.db2.gz IKXWKVFKPOUOHL-QGZVFWFLSA-N 1 0 347.459 4.180 20 5 EIBDRO O=[N+]([O-])c1cccc(CN(Cc2scnc2C2CC2)C2CC2)c1 ZINC000495070303 1044644658 /nfs/dbraw/zinc/64/46/58/1044644658.db2.gz VHKPMPUACQYNIR-UHFFFAOYSA-N 1 0 329.425 4.093 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000154037693 1044720553 /nfs/dbraw/zinc/72/05/53/1044720553.db2.gz YIWHPRVPRJDNMM-QAPCUYQASA-N 1 0 343.427 4.066 20 5 EIBDRO C[N@H+](CCC1CCOCC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000129652164 1044779171 /nfs/dbraw/zinc/77/91/71/1044779171.db2.gz PDXWCLQPWOXZTO-UHFFFAOYSA-N 1 0 344.411 4.103 20 5 EIBDRO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)CC1CCOCC1 ZINC000093284645 1044829437 /nfs/dbraw/zinc/82/94/37/1044829437.db2.gz YILHMWQQNJXDJZ-UHFFFAOYSA-N 1 0 346.452 4.182 20 5 EIBDRO C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)COCc1ccccc1 ZINC000389953059 1044846718 /nfs/dbraw/zinc/84/67/18/1044846718.db2.gz XZUVHUCCSMHLAQ-HOTGVXAUSA-N 1 0 328.412 4.098 20 5 EIBDRO CCOC[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000093838969 1044857220 /nfs/dbraw/zinc/85/72/20/1044857220.db2.gz QVGYGFDFNZHDMJ-AWEZNQCLSA-N 1 0 346.452 4.182 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]C2CCN(c3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000168436261 1044859944 /nfs/dbraw/zinc/85/99/44/1044859944.db2.gz CGINCAAJNWHENC-CQSZACIVSA-N 1 0 345.468 4.284 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000330734337 1044912231 /nfs/dbraw/zinc/91/22/31/1044912231.db2.gz UUDLRRBRDGEJFQ-AWEZNQCLSA-N 1 0 348.443 4.018 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000922777420 1044945445 /nfs/dbraw/zinc/94/54/45/1044945445.db2.gz YNMSWNLLOLKMQC-ZQMLZLLSSA-N 1 0 344.361 4.247 20 5 EIBDRO CC1(C)CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000766161088 1044970132 /nfs/dbraw/zinc/97/01/32/1044970132.db2.gz IGXNQZOKQSAQLG-UHFFFAOYSA-N 1 0 331.460 4.122 20 5 EIBDRO CC[C@H]([NH2+][C@@H](CCOC)c1ccc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000272258138 1044980866 /nfs/dbraw/zinc/98/08/66/1044980866.db2.gz AIXSRNOIUHTEKM-IRXDYDNUSA-N 1 0 332.400 4.315 20 5 EIBDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000509434140 1045160166 /nfs/dbraw/zinc/16/01/66/1045160166.db2.gz ZURSDNFYHYGSFF-YXMMZVCTSA-N 1 0 342.370 4.033 20 5 EIBDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000509434017 1045166174 /nfs/dbraw/zinc/16/61/74/1045166174.db2.gz ZURSDNFYHYGSFF-AATOQMJSSA-N 1 0 342.370 4.033 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000162284647 1045244183 /nfs/dbraw/zinc/24/41/83/1045244183.db2.gz UAKIGRFNFPFYMJ-STQMWFEESA-N 1 0 332.375 4.463 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCOc3ccccc32)C2CC2)cc1 ZINC000611254765 1045266895 /nfs/dbraw/zinc/26/68/95/1045266895.db2.gz QVKLFDNQJDFBAZ-MRXNPFEDSA-N 1 0 338.407 4.126 20 5 EIBDRO C[N@H+](CCOC(C)(C)C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611274694 1045271636 /nfs/dbraw/zinc/27/16/36/1045271636.db2.gz ICNPCOCFIJIEHN-UHFFFAOYSA-N 1 0 332.400 4.102 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cc(C)ccc2OC)cc1[N+](=O)[O-] ZINC000611335523 1045281108 /nfs/dbraw/zinc/28/11/08/1045281108.db2.gz PEQYGKYZHYGZMC-AWEZNQCLSA-N 1 0 344.411 4.161 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(Br)cs1 ZINC000194089724 1045617481 /nfs/dbraw/zinc/61/74/81/1045617481.db2.gz UTEFKCPCQSKXCZ-VIFPVBQESA-N 1 0 341.230 4.270 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000790998302 1045650812 /nfs/dbraw/zinc/65/08/12/1045650812.db2.gz JCTNYSCUEVAWCM-LCYFTJDESA-N 1 0 341.367 4.005 20 5 EIBDRO COCC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000272637848 1045713418 /nfs/dbraw/zinc/71/34/18/1045713418.db2.gz NZMIQYYVSIZGJU-GDBMZVCRSA-N 1 0 332.400 4.233 20 5 EIBDRO CC(C)N(Cc1nc2ccccc2o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350306 1045780267 /nfs/dbraw/zinc/78/02/67/1045780267.db2.gz YFLUGEPLDLWVRF-UHFFFAOYSA-N 1 0 325.368 4.147 20 5 EIBDRO C[C@H](C1CC1)[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000768532822 1045816971 /nfs/dbraw/zinc/81/69/71/1045816971.db2.gz ODVZAWFEVOHNSC-SNVBAGLBSA-N 1 0 339.233 4.120 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)c2c(C)noc2C)cc1[N+](=O)[O-] ZINC000090762816 1045818314 /nfs/dbraw/zinc/81/83/14/1045818314.db2.gz OFZDPIUTBNUGIB-RYUDHWBXSA-N 1 0 347.415 4.053 20 5 EIBDRO CCC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000768541564 1045818538 /nfs/dbraw/zinc/81/85/38/1045818538.db2.gz IXWYFZKKELBCNG-CQSZACIVSA-N 1 0 326.824 4.029 20 5 EIBDRO Cc1noc(C[N@@H+](CC(C)C)[C@@H](C)c2ccccc2C)c1[N+](=O)[O-] ZINC001170245517 1045950355 /nfs/dbraw/zinc/95/03/55/1045950355.db2.gz WQWBRWZESUCBNK-HNNXBMFYSA-N 1 0 331.416 4.419 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 ZINC001170295801 1045980124 /nfs/dbraw/zinc/98/01/24/1045980124.db2.gz FFTQMGDJKKMFKT-XXWNAHEMSA-N 1 0 344.455 4.093 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001170297844 1045981533 /nfs/dbraw/zinc/98/15/33/1045981533.db2.gz UFKVQXMNNKMZHS-CYBMUJFWSA-N 1 0 348.830 4.020 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]CCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001170297845 1045982796 /nfs/dbraw/zinc/98/27/96/1045982796.db2.gz UFKVQXMNNKMZHS-ZDUSSCGKSA-N 1 0 348.830 4.020 20 5 EIBDRO CC[C@@H]1CC[C@H](C)[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001170280823 1045988581 /nfs/dbraw/zinc/98/85/81/1045988581.db2.gz SIRDGDBJNZXBJR-NWDGAFQWSA-N 1 0 341.249 4.368 20 5 EIBDRO COc1ccc(C[C@@H](C)[N@H+]2Cc3ccccc3[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170329598 1046002896 /nfs/dbraw/zinc/00/28/96/1046002896.db2.gz SBAYMLUSJUNZFY-HUUCEWRRSA-N 1 0 340.423 4.154 20 5 EIBDRO COCCOC[C@@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000769509348 1046003897 /nfs/dbraw/zinc/00/38/97/1046003897.db2.gz WTXBLGXLSNTQDD-GOSISDBHSA-N 1 0 349.474 4.478 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC001170309681 1046008926 /nfs/dbraw/zinc/00/89/26/1046008926.db2.gz RKDCYTCEXVRGHZ-CYBMUJFWSA-N 1 0 348.830 4.020 20 5 EIBDRO Cc1ccccc1[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000792876040 1046087910 /nfs/dbraw/zinc/08/79/10/1046087910.db2.gz KHBUSIJHSUXHOK-SFHVURJKSA-N 1 0 343.383 4.298 20 5 EIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000792880746 1046090438 /nfs/dbraw/zinc/09/04/38/1046090438.db2.gz UOBBWXXFUWQTAJ-LBPRGKRZSA-N 1 0 349.412 4.018 20 5 EIBDRO C[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000785570747 1046722474 /nfs/dbraw/zinc/72/24/74/1046722474.db2.gz TYAWQJHBBMRRDI-HOTGVXAUSA-N 1 0 331.460 4.122 20 5 EIBDRO CCCOCc1ccccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000917138139 1046768528 /nfs/dbraw/zinc/76/85/28/1046768528.db2.gz YVJCOGQFBGGXDU-UHFFFAOYSA-N 1 0 328.412 4.120 20 5 EIBDRO COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000536844953 1046817879 /nfs/dbraw/zinc/81/78/79/1046817879.db2.gz KMAQBTSVKJTTCH-HUUCEWRRSA-N 1 0 328.412 4.133 20 5 EIBDRO CO[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000536874673 1046837558 /nfs/dbraw/zinc/83/75/58/1046837558.db2.gz FHFSZCVPACQBNG-PXAZEXFGSA-N 1 0 334.803 4.287 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C[C@@H](O)c1cccs1 ZINC000786821135 1046875615 /nfs/dbraw/zinc/87/56/15/1046875615.db2.gz OPEBLNHQPDOULW-IQRUHWCRSA-N 1 0 346.452 4.161 20 5 EIBDRO CC(C)(C)[C@@H]([NH2+]Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000917432697 1046888012 /nfs/dbraw/zinc/88/80/12/1046888012.db2.gz PJJOEILUTLPWSR-SFHVURJKSA-N 1 0 338.411 4.279 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2sccc2C)cc1[N+](=O)[O-] ZINC000537014259 1046896900 /nfs/dbraw/zinc/89/69/00/1046896900.db2.gz IFFNLUSLPGEYJK-CYBMUJFWSA-N 1 0 334.441 4.257 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CCC3)CC2)c(Br)c1 ZINC001170075891 1047036907 /nfs/dbraw/zinc/03/69/07/1047036907.db2.gz WJWAZWFXVDQCBV-UHFFFAOYSA-N 1 0 339.233 4.123 20 5 EIBDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C(C)(C)C ZINC000537291485 1047074159 /nfs/dbraw/zinc/07/41/59/1047074159.db2.gz PVFGDLUKNVZLER-AWEZNQCLSA-N 1 0 346.374 4.119 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000537297288 1047080846 /nfs/dbraw/zinc/08/08/46/1047080846.db2.gz UZRKGANNMUHCHN-HYXAFXHYSA-N 1 0 339.370 4.061 20 5 EIBDRO COc1ccc(C2([NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000537421284 1047191563 /nfs/dbraw/zinc/19/15/63/1047191563.db2.gz DCOFVUQUTKJFSF-CQSZACIVSA-N 1 0 326.396 4.252 20 5 EIBDRO CC(C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](O)c1ccccc1 ZINC000788535806 1047231397 /nfs/dbraw/zinc/23/13/97/1047231397.db2.gz MRSXJCOQAPIBLG-MSOLQXFVSA-N 1 0 348.830 4.096 20 5 EIBDRO C[C@@H]([NH2+]C1(c2ccc(F)cc2F)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788710292 1047276134 /nfs/dbraw/zinc/27/61/34/1047276134.db2.gz HDVRHDXWDJXKPQ-LLVKDONJSA-N 1 0 347.365 4.185 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2o1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788755776 1047287958 /nfs/dbraw/zinc/28/79/58/1047287958.db2.gz GZXPLUSWPTYYLP-NEPJUHHUSA-N 1 0 325.368 4.335 20 5 EIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000609280606 1047486782 /nfs/dbraw/zinc/48/67/82/1047486782.db2.gz FWYBFWISSGIWEU-MRXNPFEDSA-N 1 0 328.387 4.189 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H](c3ccncc3)C3CC3)o2)c1 ZINC000898326010 1047619108 /nfs/dbraw/zinc/61/91/08/1047619108.db2.gz TWYVSUUJEPWHEL-HXUWFJFHSA-N 1 0 349.390 4.491 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1cccc(OCC[NH+](C)C)c1 ZINC000537534164 1047675137 /nfs/dbraw/zinc/67/51/37/1047675137.db2.gz AWWMIHCEUVMOIZ-HNNXBMFYSA-N 1 0 343.427 4.017 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000533920685 1047723215 /nfs/dbraw/zinc/72/32/15/1047723215.db2.gz DDLOWDDVKJTSGJ-IBGZPJMESA-N 1 0 325.412 4.354 20 5 EIBDRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000089513278 1047777831 /nfs/dbraw/zinc/77/78/31/1047777831.db2.gz VOVFWBDMYOEPAJ-OLZOCXBDSA-N 1 0 341.436 4.486 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000556520783 1047806969 /nfs/dbraw/zinc/80/69/69/1047806969.db2.gz WAUWMQKCKPYOPC-UHFFFAOYSA-N 1 0 334.803 4.282 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000556545769 1047815195 /nfs/dbraw/zinc/81/51/95/1047815195.db2.gz VDOAJFKKYWHBHJ-HNNXBMFYSA-N 1 0 343.402 4.320 20 5 EIBDRO CC(C)[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000498772953 1047843213 /nfs/dbraw/zinc/84/32/13/1047843213.db2.gz CBILFHINFJFPQX-IBGZPJMESA-N 1 0 345.418 4.439 20 5 EIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000919722061 1048031123 /nfs/dbraw/zinc/03/11/23/1048031123.db2.gz SJQAPVPXPQYGKD-VNHYZAJKSA-N 1 0 337.851 4.090 20 5 EIBDRO CC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC001171087236 1048087253 /nfs/dbraw/zinc/08/72/53/1048087253.db2.gz NZBHNRKKDDAEDR-UHFFFAOYSA-N 1 0 341.249 4.368 20 5 EIBDRO CC(C)[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCOCC1 ZINC000557010942 1048390060 /nfs/dbraw/zinc/39/00/60/1048390060.db2.gz FEMIZGOOKWCYOL-UHFFFAOYSA-N 1 0 346.349 4.003 20 5 EIBDRO C[C@@H](N[C@@H](c1ccccc1)c1ccncc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815565822 1048512887 /nfs/dbraw/zinc/51/28/87/1048512887.db2.gz BEQRFFGYPOEBML-VLIAUNLRSA-N 1 0 348.406 4.012 20 5 EIBDRO C[C@@H]([NH2+]C1(c2ccc(F)cc2)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815604643 1048557659 /nfs/dbraw/zinc/55/76/59/1048557659.db2.gz WFIFRVTYALIDCE-GFCCVEGCSA-N 1 0 329.375 4.046 20 5 EIBDRO CC(C)OCCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809948241 1048577188 /nfs/dbraw/zinc/57/71/88/1048577188.db2.gz AXJJENUOJNVUFX-UHFFFAOYSA-N 1 0 335.231 4.149 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCO2 ZINC000772949343 1048887111 /nfs/dbraw/zinc/88/71/11/1048887111.db2.gz AIWBAUVYENCTBU-GOSISDBHSA-N 1 0 326.396 4.161 20 5 EIBDRO CC[C@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001171286218 1049058705 /nfs/dbraw/zinc/05/87/05/1049058705.db2.gz GEKFXVKYFRWZQW-YPMHNXCESA-N 1 0 341.249 4.272 20 5 EIBDRO CC[C@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001171285915 1049058786 /nfs/dbraw/zinc/05/87/86/1049058786.db2.gz GEKFXVKYFRWZQW-AAEUAGOBSA-N 1 0 341.249 4.272 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000811484160 1049079380 /nfs/dbraw/zinc/07/93/80/1049079380.db2.gz RFUFZYAPQIMHIT-SECBINFHSA-N 1 0 325.142 4.179 20 5 EIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000609541274 1049143184 /nfs/dbraw/zinc/14/31/84/1049143184.db2.gz BMONSHQMTKJBJW-ZDUSSCGKSA-N 1 0 334.778 4.377 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000609916185 1049395003 /nfs/dbraw/zinc/39/50/03/1049395003.db2.gz DKVNTJKHNYSCQV-HOCLYGCPSA-N 1 0 328.387 4.360 20 5 EIBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000610002007 1049468496 /nfs/dbraw/zinc/46/84/96/1049468496.db2.gz TUTPRUXSCGAYIM-BBRMVZONSA-N 1 0 344.415 4.045 20 5 EIBDRO C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000348208027 1049494286 /nfs/dbraw/zinc/49/42/86/1049494286.db2.gz RBUTXOQNUQWDTA-YVEFUNNKSA-N 1 0 334.803 4.023 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1cc2ccccc2o1 ZINC000610090262 1049532749 /nfs/dbraw/zinc/53/27/49/1049532749.db2.gz ZMYWIGPCQDUDIO-UHFFFAOYSA-N 1 0 340.379 4.072 20 5 EIBDRO CN(C(=O)c1c2ccccc2cc2ccccc21)[C@@H]1CCC[N@H+](C)C1 ZINC000813025477 1049662786 /nfs/dbraw/zinc/66/27/86/1049662786.db2.gz RXTWVZUTRCTQPW-GOSISDBHSA-N 1 0 332.447 4.159 20 5 EIBDRO Cn1cc(CCC[NH2+]Cc2c3ccccc3cc3ccccc32)cn1 ZINC000237749371 1049741774 /nfs/dbraw/zinc/74/17/74/1049741774.db2.gz RBHGZGLAMRAOIF-UHFFFAOYSA-N 1 0 329.447 4.449 20 5 EIBDRO COc1cc(C[N@@H+]2CCC[C@@H]2CC2CCCC2)c([N+](=O)[O-])cc1F ZINC001171630681 1049761913 /nfs/dbraw/zinc/76/19/13/1049761913.db2.gz CYZLNTAQQBAMOE-OAHLLOKOSA-N 1 0 336.407 4.287 20 5 EIBDRO COc1ccc(C)cc1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000615720494 1049765095 /nfs/dbraw/zinc/76/50/95/1049765095.db2.gz QOELTSWQRIFGFC-OQLLNIDSSA-N 1 0 326.396 4.105 20 5 EIBDRO CCC[C@H]([NH2+]C[C@H](c1ccnn1C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000615966783 1049823554 /nfs/dbraw/zinc/82/35/54/1049823554.db2.gz IGRMGJGCQVMLHH-ROUUACIJSA-N 1 0 344.459 4.199 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCCc2ccccc21 ZINC001177181099 1050165042 /nfs/dbraw/zinc/16/50/42/1050165042.db2.gz WSBJVXUQDFLBTA-MRXNPFEDSA-N 1 0 340.423 4.203 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc3ncccc3c1)CC2 ZINC001172899993 1050203669 /nfs/dbraw/zinc/20/36/69/1050203669.db2.gz QZHCZADECRSQMW-LJQANCHMSA-N 1 0 347.418 4.180 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1(c3ccccc3F)CC1)CC2 ZINC001172901754 1050205057 /nfs/dbraw/zinc/20/50/57/1050205057.db2.gz KQFMESALRBSDNW-INIZCTEOSA-N 1 0 340.398 4.260 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cc3ccccc3cn1)CC2 ZINC001172902157 1050205279 /nfs/dbraw/zinc/20/52/79/1050205279.db2.gz WFCHJJAQUBANSM-LJQANCHMSA-N 1 0 347.418 4.180 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccc(F)c1F ZINC001172907023 1050207396 /nfs/dbraw/zinc/20/73/96/1050207396.db2.gz ZXKQEFRXLAMYGE-DOMZBBRYSA-N 1 0 346.377 4.471 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@H]1c1ccncc1)CC2 ZINC001172915842 1050231605 /nfs/dbraw/zinc/23/16/05/1050231605.db2.gz PERJPAJYUCGKQJ-QUCCMNQESA-N 1 0 337.423 4.074 20 5 EIBDRO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896286 1050232615 /nfs/dbraw/zinc/23/26/15/1050232615.db2.gz DDLGRLIUHOUFFT-OXQOHEQNSA-N 1 0 338.451 4.453 20 5 EIBDRO C[C@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1(F)F ZINC001172909695 1050246432 /nfs/dbraw/zinc/24/64/32/1050246432.db2.gz UXVIGGXOISIIPS-XJKSGUPXSA-N 1 0 338.398 4.209 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCc3c1cccc3F)CC2 ZINC001172913502 1050249575 /nfs/dbraw/zinc/24/95/75/1050249575.db2.gz WKHKLHGPBSZPLZ-FOIQADDNSA-N 1 0 340.398 4.258 20 5 EIBDRO CCC[C@@H](C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001177683471 1050276342 /nfs/dbraw/zinc/27/63/42/1050276342.db2.gz FCBMWTKSQXGYAM-KRWDZBQOSA-N 1 0 328.412 4.147 20 5 EIBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001186368207 1050299983 /nfs/dbraw/zinc/29/99/83/1050299983.db2.gz PAKDWZIRDHMMDT-CQSZACIVSA-N 1 0 345.365 4.146 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCC2CCCCC2)c1F ZINC001173178124 1050334980 /nfs/dbraw/zinc/33/49/80/1050334980.db2.gz IXHPDXSYVQGAMG-ZDUSSCGKSA-N 1 0 338.423 4.234 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cccc(C)c2C)c1F ZINC001173177250 1050335951 /nfs/dbraw/zinc/33/59/51/1050335951.db2.gz SBKDJWKSRQSRDX-CYBMUJFWSA-N 1 0 346.402 4.080 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C)CCC(C)C)c1F ZINC001173188546 1050336941 /nfs/dbraw/zinc/33/69/41/1050336941.db2.gz KUZJTHTZOHOOAN-CHWSQXEVSA-N 1 0 326.412 4.088 20 5 EIBDRO C=Cc1ccc(C[NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])cc1 ZINC001173189725 1050337379 /nfs/dbraw/zinc/33/73/79/1050337379.db2.gz PVRFJCVNOQCGEJ-CYBMUJFWSA-N 1 0 344.386 4.106 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1c(C[NH3+])cc2cc(Cl)ccc21 ZINC001173214855 1050349070 /nfs/dbraw/zinc/34/90/70/1050349070.db2.gz QVXOHDCFVHVBOS-LBPRGKRZSA-N 1 0 343.814 4.465 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1c(C[NH3+])cc2cc(Cl)ccc21 ZINC001173214852 1050349377 /nfs/dbraw/zinc/34/93/77/1050349377.db2.gz QVXOHDCFVHVBOS-GFCCVEGCSA-N 1 0 343.814 4.465 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2ccc(Cl)cc2C1 ZINC001173218024 1050351456 /nfs/dbraw/zinc/35/14/56/1050351456.db2.gz IQDOJVOAYTZRIN-FZKQIMNGSA-N 1 0 344.842 4.326 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC001173219103 1050352574 /nfs/dbraw/zinc/35/25/74/1050352574.db2.gz XDFCWBWBBPRAKE-IIBYNOLFSA-N 1 0 347.418 4.300 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccccc1-c1cccnc1 ZINC001173220277 1050352789 /nfs/dbraw/zinc/35/27/89/1050352789.db2.gz XEDQANCEVJOBMK-INIZCTEOSA-N 1 0 347.418 4.378 20 5 EIBDRO C[C@@H]([NH3+])Cc1cn([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC001173219862 1050353295 /nfs/dbraw/zinc/35/32/95/1050353295.db2.gz PXBGPUOUPWUWPX-CABCVRRESA-N 1 0 337.423 4.243 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c(F)c1F ZINC001173219504 1050353735 /nfs/dbraw/zinc/35/37/35/1050353735.db2.gz CPOGLXMMOBHNAY-OLZOCXBDSA-N 1 0 334.366 4.463 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=[NH2+])c1cccc2ccccc21 ZINC001173221125 1050354593 /nfs/dbraw/zinc/35/45/93/1050354593.db2.gz JSOUHGXNHZVCNV-AWEZNQCLSA-N 1 0 333.391 4.294 20 5 EIBDRO COc1ccccc1C(C)(C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173221640 1050354703 /nfs/dbraw/zinc/35/47/03/1050354703.db2.gz OGEARZHKMUAXFY-AWEZNQCLSA-N 1 0 328.412 4.059 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(Cc2cccc(F)c2)CCC1 ZINC001173224086 1050355683 /nfs/dbraw/zinc/35/56/83/1050355683.db2.gz LOGLBYVPBZSPFB-OAHLLOKOSA-N 1 0 342.414 4.420 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2cccc(O)c2)CC1 ZINC001173229836 1050357367 /nfs/dbraw/zinc/35/73/67/1050357367.db2.gz AOJHZVOAQZNFQO-OAHLLOKOSA-N 1 0 340.423 4.111 20 5 EIBDRO CC(C)Oc1ccc(CC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173233442 1050359555 /nfs/dbraw/zinc/35/95/55/1050359555.db2.gz ISIDNPFEGAKGIJ-MRXNPFEDSA-N 1 0 342.439 4.145 20 5 EIBDRO COc1ccccc1C[C@H](C)[N@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231864 1050360828 /nfs/dbraw/zinc/36/08/28/1050360828.db2.gz OEOCZKLIINSKNS-HOTGVXAUSA-N 1 0 342.439 4.097 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1c(Cl)cncc1Cl ZINC001173234816 1050362517 /nfs/dbraw/zinc/36/25/17/1050362517.db2.gz QEWRNOBUTHSNCZ-JTQLQIEISA-N 1 0 340.210 4.017 20 5 EIBDRO COc1ccccc1[C@H](C)[N@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173234203 1050363412 /nfs/dbraw/zinc/36/34/12/1050363412.db2.gz PVJXTSDXYMNHDI-GJZGRUSLSA-N 1 0 328.412 4.227 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(F)c(Cl)c1F ZINC001173214311 1050374066 /nfs/dbraw/zinc/37/40/66/1050374066.db2.gz AMFFSCDEFSAXFU-JTQLQIEISA-N 1 0 340.757 4.247 20 5 EIBDRO CCOc1cccc(CC[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC001178232536 1050419558 /nfs/dbraw/zinc/41/95/58/1050419558.db2.gz RAXFBIBEVZSBGN-FOWTUZBSSA-N 1 0 340.423 4.229 20 5 EIBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc(Oc3ccccc3)o2)c1 ZINC001178393057 1050450683 /nfs/dbraw/zinc/45/06/83/1050450683.db2.gz GFJMLYQHXSWIKO-UHFFFAOYSA-N 1 0 338.363 4.312 20 5 EIBDRO Cc1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)ccc1C(F)(F)F ZINC001178393856 1050451930 /nfs/dbraw/zinc/45/19/30/1050451930.db2.gz WXRIEOSEAWUQRY-UHFFFAOYSA-N 1 0 338.329 4.254 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC[C@@H]3CCCCO3)o2)cc1 ZINC001178440490 1050457984 /nfs/dbraw/zinc/45/79/84/1050457984.db2.gz ONYJKGPUOREBAW-KRWDZBQOSA-N 1 0 344.411 4.294 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)Oc1ccc(Cl)cc1 ZINC001178478199 1050479369 /nfs/dbraw/zinc/47/93/69/1050479369.db2.gz QBTWVMYLSIBAKH-ZDUSSCGKSA-N 1 0 348.830 4.422 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3C[C@H]3CC(C)C)o2)c([N+](=O)[O-])c1 ZINC001178921614 1050589763 /nfs/dbraw/zinc/58/97/63/1050589763.db2.gz AUVAFOXXRUZXSZ-CXAGYDPISA-N 1 0 344.411 4.388 20 5 EIBDRO Cc1c(C[NH2+]Cc2ccnc(-c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC001179298795 1050664638 /nfs/dbraw/zinc/66/46/38/1050664638.db2.gz FLKOPPAIUCWEBT-UHFFFAOYSA-N 1 0 333.391 4.255 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCOC1 ZINC001179433011 1050691714 /nfs/dbraw/zinc/69/17/14/1050691714.db2.gz LJXLAFWBOWWDAW-MAUKXSAKSA-N 1 0 344.411 4.150 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])cc1C ZINC001179458153 1050701104 /nfs/dbraw/zinc/70/11/04/1050701104.db2.gz OWNTYNXJKNLAGT-UHFFFAOYSA-N 1 0 349.228 4.264 20 5 EIBDRO C[C@@H](C[NH2+]Cc1cccc(OC2CC2)c1F)c1ccccc1[N+](=O)[O-] ZINC001179685153 1050747124 /nfs/dbraw/zinc/74/71/24/1050747124.db2.gz DXZRLBAOQDUAKE-ZDUSSCGKSA-N 1 0 344.386 4.168 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000198104871 1050866458 /nfs/dbraw/zinc/86/64/58/1050866458.db2.gz POYHBPSJFFJSCX-MRXNPFEDSA-N 1 0 340.423 4.337 20 5 EIBDRO C[C@H](C1CC1)[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC001180178005 1050894288 /nfs/dbraw/zinc/89/42/88/1050894288.db2.gz LBWGWYADEXOAMY-MRVPVSSYSA-N 1 0 345.262 4.182 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)C1CCCCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000182935406 1050909764 /nfs/dbraw/zinc/90/97/64/1050909764.db2.gz HCBHCGIUHNYNLD-STQMWFEESA-N 1 0 344.415 4.264 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccc3cnccc32)C2CC2)cc1 ZINC000183062732 1050951121 /nfs/dbraw/zinc/95/11/21/1050951121.db2.gz XCOZRLDYLLIJSN-UHFFFAOYSA-N 1 0 333.391 4.308 20 5 EIBDRO CCC(CC)[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC001180348766 1050962052 /nfs/dbraw/zinc/96/20/52/1050962052.db2.gz BJNVVATUXXVGAO-NVXWUHKLSA-N 1 0 340.851 4.322 20 5 EIBDRO Cc1cc(C)cc(CC[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001180349717 1050965022 /nfs/dbraw/zinc/96/50/22/1050965022.db2.gz OXNUJGLBZNJIBJ-UHFFFAOYSA-N 1 0 332.831 4.240 20 5 EIBDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC001180392500 1050976491 /nfs/dbraw/zinc/97/64/91/1050976491.db2.gz FPRADFOEGBMSFJ-ZJUUUORDSA-N 1 0 347.278 4.429 20 5 EIBDRO CC[NH+](CC)CC(=O)N(C)Cc1c2ccccc2cc2ccccc21 ZINC001180389670 1050977299 /nfs/dbraw/zinc/97/72/99/1050977299.db2.gz ONLAMZICYFFJBT-UHFFFAOYSA-N 1 0 334.463 4.293 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c(Cl)c1 ZINC001180865958 1051096669 /nfs/dbraw/zinc/09/66/69/1051096669.db2.gz WOGIPJRYKMROHH-HNNXBMFYSA-N 1 0 338.835 4.220 20 5 EIBDRO CC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC001190606217 1051233302 /nfs/dbraw/zinc/23/33/02/1051233302.db2.gz SQTCINLHVYHNMU-NSHDSACASA-N 1 0 329.238 4.224 20 5 EIBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC001191069977 1051338684 /nfs/dbraw/zinc/33/86/84/1051338684.db2.gz JFGJBBRXALPXLH-UHFFFAOYSA-N 1 0 332.350 4.080 20 5 EIBDRO CC(C)(C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])OCC1CC1 ZINC001182398413 1051528687 /nfs/dbraw/zinc/52/86/87/1051528687.db2.gz SYBPTXIGZSQSQM-WMZOPIPTSA-N 1 0 346.471 4.101 20 5 EIBDRO Cc1ccc(C[NH+](C)C)cc1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774343470 1051562046 /nfs/dbraw/zinc/56/20/46/1051562046.db2.gz IWXUDFVNZVFAOI-LJQANCHMSA-N 1 0 339.439 4.454 20 5 EIBDRO C[S@@](=O)c1ccc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cc1 ZINC001175481369 1051609308 /nfs/dbraw/zinc/60/93/08/1051609308.db2.gz DUUZBHJFHVVUHC-RUZDIDTESA-N 1 0 347.443 4.451 20 5 EIBDRO C[C@@]1(c2ccccc2)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001175742447 1051753662 /nfs/dbraw/zinc/75/36/62/1051753662.db2.gz ZMIJIIQQTJZBCL-FQEVSTJZSA-N 1 0 340.423 4.375 20 5 EIBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC001192661942 1051797113 /nfs/dbraw/zinc/79/71/13/1051797113.db2.gz HURILVCJXQTZRK-MRXNPFEDSA-N 1 0 348.422 4.006 20 5 EIBDRO CC[C@H]([NH2+]CCCOc1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC001192802701 1051812298 /nfs/dbraw/zinc/81/22/98/1051812298.db2.gz NYZXKIDFXIPWDA-SFHVURJKSA-N 1 0 328.412 4.413 20 5 EIBDRO CC(C)C[C@@H](C)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001183532935 1051864318 /nfs/dbraw/zinc/86/43/18/1051864318.db2.gz IMKRFHSQWGESKP-LLVKDONJSA-N 1 0 329.238 4.129 20 5 EIBDRO CC(C)(C)OC[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001176012352 1051873313 /nfs/dbraw/zinc/87/33/13/1051873313.db2.gz YUZKODVFXBRKMB-AWEZNQCLSA-N 1 0 326.824 4.028 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)COCC1CCCCC1 ZINC001183919974 1051927476 /nfs/dbraw/zinc/92/74/76/1051927476.db2.gz RPCWZIUISVJZLN-IRXDYDNUSA-N 1 0 348.487 4.491 20 5 EIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC001193658902 1051969333 /nfs/dbraw/zinc/96/93/33/1051969333.db2.gz AKFBQUXXIOHWHH-QEJZJMRPSA-N 1 0 347.459 4.035 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[N@H+](Cc2cccc(F)c2)C2CCC2)cc1 ZINC001176304565 1052008732 /nfs/dbraw/zinc/00/87/32/1052008732.db2.gz FUFHQRXZYSWCCU-UHFFFAOYSA-N 1 0 344.386 4.167 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC001193931172 1052024538 /nfs/dbraw/zinc/02/45/38/1052024538.db2.gz MLNOFISNVQCLSF-RDJZCZTQSA-N 1 0 340.423 4.290 20 5 EIBDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001194107646 1052077268 /nfs/dbraw/zinc/07/72/68/1052077268.db2.gz KGTDOTHZUFKDDY-IBGZPJMESA-N 1 0 344.411 4.065 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(N(CC[NH+](C)C)Cc2cccc(Cl)c2)c1 ZINC001185693526 1052281945 /nfs/dbraw/zinc/28/19/45/1052281945.db2.gz OZGHNUIPOBLUEN-UHFFFAOYSA-N 1 0 347.846 4.125 20 5 EIBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC001168528770 1052639432 /nfs/dbraw/zinc/63/94/32/1052639432.db2.gz GRBKWCAUJQMQPW-HOTGVXAUSA-N 1 0 328.412 4.146 20 5 EIBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H](C)c1ccc(F)cc1 ZINC000083168778 1052841095 /nfs/dbraw/zinc/84/10/95/1052841095.db2.gz ZEWSLYBZCNLPHE-GFCCVEGCSA-N 1 0 343.358 4.458 20 5 EIBDRO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000764282157 1053052020 /nfs/dbraw/zinc/05/20/20/1053052020.db2.gz CIPIAKCNYJMWRM-BEFAXECRSA-N 1 0 328.412 4.020 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)c1 ZINC000850385366 1053157312 /nfs/dbraw/zinc/15/73/12/1053157312.db2.gz FMMBSNSYYDOGLG-ACJLOTCBSA-N 1 0 345.830 4.144 20 5 EIBDRO CC(C)(C)C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC001195064295 1053251183 /nfs/dbraw/zinc/25/11/83/1053251183.db2.gz CMUVBTWMVNPZKG-AWEZNQCLSA-N 1 0 347.459 4.070 20 5 EIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCC3CCCC3)CC2)cc1 ZINC000764746606 1053291181 /nfs/dbraw/zinc/29/11/81/1053291181.db2.gz PEOKDNXGLFPCQB-UHFFFAOYSA-N 1 0 331.460 4.124 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CC2SCCS2)c2ccccc2)c1 ZINC000850559465 1053315766 /nfs/dbraw/zinc/31/57/66/1053315766.db2.gz BMPJZSNCZUWMTA-QGZVFWFLSA-N 1 0 346.477 4.080 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000765140958 1053453698 /nfs/dbraw/zinc/45/36/98/1053453698.db2.gz FGXRXENVNCACIV-INIZCTEOSA-N 1 0 339.439 4.223 20 5 EIBDRO CC[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC001195757127 1053472309 /nfs/dbraw/zinc/47/23/09/1053472309.db2.gz LXZTZFCBBXTLFZ-SFHVURJKSA-N 1 0 332.375 4.244 20 5 EIBDRO C[C@@]1(c2cccc(F)c2)CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC001195842560 1053501596 /nfs/dbraw/zinc/50/15/96/1053501596.db2.gz GGLNKUBLQKGXIO-GOSISDBHSA-N 1 0 332.350 4.037 20 5 EIBDRO Cc1ccc([C@H]2CCCC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776585319 1053561756 /nfs/dbraw/zinc/56/17/56/1053561756.db2.gz VFXFPIHOYBUHLF-WOJBJXKFSA-N 1 0 340.423 4.164 20 5 EIBDRO Cc1cccc([C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C)c1 ZINC000776605312 1053591151 /nfs/dbraw/zinc/59/11/51/1053591151.db2.gz KHGCDITVASXAEP-OALUTQOASA-N 1 0 342.439 4.314 20 5 EIBDRO Cc1ccccc1[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000776606539 1053593609 /nfs/dbraw/zinc/59/36/09/1053593609.db2.gz XYCPYACVQTWVLB-MOPGFXCFSA-N 1 0 342.439 4.314 20 5 EIBDRO CC(C)[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1cccnc1 ZINC000866281715 1053677226 /nfs/dbraw/zinc/67/72/26/1053677226.db2.gz KAQGLYURVDFTKU-KSSFIOAISA-N 1 0 345.418 4.089 20 5 EIBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000552270766 1053846346 /nfs/dbraw/zinc/84/63/46/1053846346.db2.gz BLIWLHJFPQFXIY-ILZDJORESA-N 1 0 340.423 4.036 20 5 EIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301311896 1053856907 /nfs/dbraw/zinc/85/69/07/1053856907.db2.gz HRDBTGNISCFVJU-AWEZNQCLSA-N 1 0 343.402 4.371 20 5 EIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000301311127 1053859273 /nfs/dbraw/zinc/85/92/73/1053859273.db2.gz FXEDTJWTMPZXAB-HNNXBMFYSA-N 1 0 325.412 4.232 20 5 EIBDRO COC1CCC(CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000542665230 1053872039 /nfs/dbraw/zinc/87/20/39/1053872039.db2.gz HNMYVMKZIUBQAN-KLHKWILBSA-N 1 0 334.460 4.101 20 5 EIBDRO COc1ccc(C[N@@H+]2CCC[C@@]2(C)c2ccccc2)cc1[N+](=O)[O-] ZINC001197342689 1053878354 /nfs/dbraw/zinc/87/83/54/1053878354.db2.gz QQMMDNZFPFUYNT-IBGZPJMESA-N 1 0 326.396 4.115 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@H]1c1ccccc1 ZINC001197661370 1053960294 /nfs/dbraw/zinc/96/02/94/1053960294.db2.gz UTKLFGQQKTXJRP-KUHUBIRLSA-N 1 0 326.396 4.187 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@H]1c1ccccc1 ZINC001197661371 1053961773 /nfs/dbraw/zinc/96/17/73/1053961773.db2.gz UTKLFGQQKTXJRP-LIRRHRJNSA-N 1 0 326.396 4.187 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000173340367 1054067917 /nfs/dbraw/zinc/06/79/17/1054067917.db2.gz SWSZOJHSGWDIBG-GUYCJALGSA-N 1 0 342.395 4.168 20 5 EIBDRO Cc1csc(C[C@@H]2CC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC001198084063 1054068524 /nfs/dbraw/zinc/06/85/24/1054068524.db2.gz FRFUFICSFDMOJA-GJZGRUSLSA-N 1 0 345.468 4.294 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCCC34CC4)cs2)c1 ZINC001203314742 1054101175 /nfs/dbraw/zinc/10/11/75/1054101175.db2.gz ZPRZSFSNGLDOGT-AWEZNQCLSA-N 1 0 343.452 4.388 20 5 EIBDRO Cc1cccnc1[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001198508361 1054180638 /nfs/dbraw/zinc/18/06/38/1054180638.db2.gz PBHPZLBHUSHNAC-SFHVURJKSA-N 1 0 343.427 4.054 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc([C@@H](C)O)cc1 ZINC000872028422 1054344125 /nfs/dbraw/zinc/34/41/25/1054344125.db2.gz RDOSAYVCESGQLG-QWHCGFSZSA-N 1 0 346.452 4.221 20 5 EIBDRO CCOCCC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872053444 1054363354 /nfs/dbraw/zinc/36/33/54/1054363354.db2.gz UURMOPNEYWJMHS-ZDUSSCGKSA-N 1 0 338.473 4.174 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCCOC(C)C ZINC000872060747 1054369628 /nfs/dbraw/zinc/36/96/28/1054369628.db2.gz SODIIYLETLCTKB-CYBMUJFWSA-N 1 0 326.462 4.173 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCCOC(C)C ZINC000872060748 1054371039 /nfs/dbraw/zinc/37/10/39/1054371039.db2.gz SODIIYLETLCTKB-ZDUSSCGKSA-N 1 0 326.462 4.173 20 5 EIBDRO C[C@@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872066405 1054375329 /nfs/dbraw/zinc/37/53/29/1054375329.db2.gz MLHJOVPKMBHNQN-IYXRBSQSSA-N 1 0 338.423 4.368 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000872086802 1054383585 /nfs/dbraw/zinc/38/35/85/1054383585.db2.gz ZPPXXYUOWRTLDP-YMRXKLBXSA-N 1 0 344.436 4.146 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](c1ccccc1)[C@@H](C)O ZINC000872088255 1054385565 /nfs/dbraw/zinc/38/55/65/1054385565.db2.gz NBWGHMAPJPTBIZ-JCGVRSQUSA-N 1 0 346.452 4.089 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000872106136 1054390557 /nfs/dbraw/zinc/39/05/57/1054390557.db2.gz FFYNHTGRJNBELK-LBPRGKRZSA-N 1 0 342.342 4.452 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)c1ccccc1[N+](=O)[O-] ZINC000872129502 1054403840 /nfs/dbraw/zinc/40/38/40/1054403840.db2.gz FAGORJILQWHWAL-HLLBOEOZSA-N 1 0 325.412 4.367 20 5 EIBDRO Cc1c(C[NH2+][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000873028620 1054480129 /nfs/dbraw/zinc/48/01/29/1054480129.db2.gz OHJFWVVYYNKMFB-RBUKOAKNSA-N 1 0 344.386 4.052 20 5 EIBDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000139920454 1054584125 /nfs/dbraw/zinc/58/41/25/1054584125.db2.gz GAWCYOSKJOVFRJ-MRXNPFEDSA-N 1 0 332.447 4.094 20 5 EIBDRO O=[N+]([O-])c1cc(O)cc(Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC001201221431 1054732576 /nfs/dbraw/zinc/73/25/76/1054732576.db2.gz BMORCYJIRDPSSZ-UHFFFAOYSA-N 1 0 327.384 4.030 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cccc2c1CCC2 ZINC001201692874 1054891140 /nfs/dbraw/zinc/89/11/40/1054891140.db2.gz IJMQNCLCPQSXQQ-UHFFFAOYSA-N 1 0 330.815 4.069 20 5 EIBDRO CC(C)Oc1ccccc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001201693285 1054891454 /nfs/dbraw/zinc/89/14/54/1054891454.db2.gz KZICLUKTVZFEHO-UHFFFAOYSA-N 1 0 348.830 4.368 20 5 EIBDRO Cc1cccc([C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C(C)(C)C)c1 ZINC000876962844 1054989497 /nfs/dbraw/zinc/98/94/97/1054989497.db2.gz YAAHWAASMMHSMN-HTWSVDAQSA-N 1 0 342.443 4.180 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCSCCC(F)(F)F)cc1Cl ZINC000877731282 1055111207 /nfs/dbraw/zinc/11/12/07/1055111207.db2.gz URBBPSQZOAGBIE-UHFFFAOYSA-N 1 0 342.770 4.023 20 5 EIBDRO O=C1NCCC12CC[NH+](Cc1c3ccccc3cc3ccccc31)CC2 ZINC000877783447 1055122305 /nfs/dbraw/zinc/12/23/05/1055122305.db2.gz UZWSFWCSWZXQFU-UHFFFAOYSA-N 1 0 344.458 4.095 20 5 EIBDRO Cc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000776279942 1055150862 /nfs/dbraw/zinc/15/08/62/1055150862.db2.gz VDWYEIWJNPKUAS-UXHICEINSA-N 1 0 340.423 4.082 20 5 EIBDRO CC[C@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000765807737 1055439744 /nfs/dbraw/zinc/43/97/44/1055439744.db2.gz HITKFEBHAGIOCB-ZWKOTPCHSA-N 1 0 348.830 4.197 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000765815480 1055494519 /nfs/dbraw/zinc/49/45/19/1055494519.db2.gz JUKPHZGHIROUIT-FZKQIMNGSA-N 1 0 348.830 4.115 20 5 EIBDRO Cc1c([C@H](C)[NH2+]C[C@](C)(O)c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000765817683 1055552715 /nfs/dbraw/zinc/55/27/15/1055552715.db2.gz PNSDGTDZIWQKAJ-UGSOOPFHSA-N 1 0 348.830 4.115 20 5 EIBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H](C)c1ccccc1 ZINC000542701512 1055842939 /nfs/dbraw/zinc/84/29/39/1055842939.db2.gz FVOIFGXROKMWJA-INIZCTEOSA-N 1 0 328.412 4.113 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccccc1N(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000765847102 1055869770 /nfs/dbraw/zinc/86/97/70/1055869770.db2.gz AYJBYFFJJGYJJC-SFHVURJKSA-N 1 0 327.428 4.292 20 5 EIBDRO Cc1ccc(CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)o1 ZINC000542774346 1055968881 /nfs/dbraw/zinc/96/88/81/1055968881.db2.gz ILQVTVJZPBEXIS-FQEVSTJZSA-N 1 0 336.391 4.418 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000542811238 1056089244 /nfs/dbraw/zinc/08/92/44/1056089244.db2.gz ZLEVDIUMVLSFSP-LLVKDONJSA-N 1 0 338.329 4.214 20 5 EIBDRO Cc1c(C[NH2+]Cc2cccc(OC(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000327129384 1056125054 /nfs/dbraw/zinc/12/50/54/1056125054.db2.gz SQFYETRWDUSRFO-UHFFFAOYSA-N 1 0 340.301 4.092 20 5 EIBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC001168678388 1056679371 /nfs/dbraw/zinc/67/93/71/1056679371.db2.gz VSXWLZUJSQLUNB-KRWDZBQOSA-N 1 0 334.803 4.368 20 5 EIBDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000741807680 1058377479 /nfs/dbraw/zinc/37/74/79/1058377479.db2.gz JZUGMDZKUYONBQ-KDOFPFPSSA-N 1 0 328.387 4.360 20 5 EIBDRO C[C@H]([NH2+]CCc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000746049208 1059987202 /nfs/dbraw/zinc/98/72/02/1059987202.db2.gz MKUGOWDQHKXWJG-LBPRGKRZSA-N 1 0 349.228 4.251 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccc(Oc3ccccc3)cc2)C1 ZINC001168965671 1060559542 /nfs/dbraw/zinc/55/95/42/1060559542.db2.gz BWZMMEXUCGGOPS-ROUUACIJSA-N 1 0 340.423 4.056 20 5 EIBDRO CC(C)(Cc1ccc2ccccc2c1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168975516 1060565884 /nfs/dbraw/zinc/56/58/84/1060565884.db2.gz WAECJZYYXXLFRL-APWZRJJASA-N 1 0 326.440 4.196 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3)CCC(F)(F)CC2)C1 ZINC001168999712 1060571087 /nfs/dbraw/zinc/57/10/87/1060571087.db2.gz UROHCBMKMRCMQW-GDBMZVCRSA-N 1 0 338.398 4.126 20 5 EIBDRO CC[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC001168997489 1060571393 /nfs/dbraw/zinc/57/13/93/1060571393.db2.gz ZXLCYVQNWHBQML-CQDKDKBSSA-N 1 0 330.350 4.192 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(SC(F)(F)F)cc1 ZINC001169001232 1060571455 /nfs/dbraw/zinc/57/14/55/1060571455.db2.gz DVTOVZFGNDPUGG-MDZLAQPJSA-N 1 0 348.390 4.395 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(Cc3cccc(Cl)c3)CC2)C1 ZINC001169013432 1060578335 /nfs/dbraw/zinc/57/83/35/1060578335.db2.gz UYGGIUXQUNYAQP-SJLPKXTDSA-N 1 0 336.863 4.040 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(Cc3cccc(Cl)c3)CC2)C1 ZINC001169013433 1060579889 /nfs/dbraw/zinc/57/98/89/1060579889.db2.gz UYGGIUXQUNYAQP-WMZOPIPTSA-N 1 0 336.863 4.040 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](c3cccc(Cl)c3Cl)C2)C1 ZINC001169035908 1060594518 /nfs/dbraw/zinc/59/45/18/1060594518.db2.gz MGMPLSUKMMDXAT-UPJWGTAASA-N 1 0 343.254 4.228 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC001169048366 1060602889 /nfs/dbraw/zinc/60/28/89/1060602889.db2.gz UWFKAZCZFNCUJF-WQVCFCJDSA-N 1 0 342.361 4.288 20 5 EIBDRO CC1(C)C[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001169153809 1060670393 /nfs/dbraw/zinc/67/03/93/1060670393.db2.gz UKNKCPOTPLNEGD-KUHUBIRLSA-N 1 0 342.443 4.099 20 5 EIBDRO CC1(C)C[C@@H](Nc2ccnc3c2cccc3[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001169151922 1060670542 /nfs/dbraw/zinc/67/05/42/1060670542.db2.gz NLHHCAUBBODVJQ-YJYMSZOUSA-N 1 0 342.443 4.099 20 5 EIBDRO CCC1(CC)CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001169299155 1060762376 /nfs/dbraw/zinc/76/23/76/1060762376.db2.gz BVNHEBFGWQIEQG-UHFFFAOYSA-N 1 0 347.459 4.216 20 5 EIBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC001169409841 1060801196 /nfs/dbraw/zinc/80/11/96/1060801196.db2.gz RRNYSCDDJMPEOG-HUUCEWRRSA-N 1 0 328.865 4.402 20 5 EIBDRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC001169409839 1060801966 /nfs/dbraw/zinc/80/19/66/1060801966.db2.gz RRNYSCDDJMPEOG-CABCVRRESA-N 1 0 328.865 4.402 20 5 EIBDRO COc1cc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1C ZINC000532208455 1032093302 /nfs/dbraw/zinc/09/33/02/1032093302.db2.gz ZMVHXPZQUIOJJI-GOSISDBHSA-N 1 0 340.423 4.023 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000532220052 1032100409 /nfs/dbraw/zinc/10/04/09/1032100409.db2.gz FMRIVOCZDOGKAX-ZDUSSCGKSA-N 1 0 341.386 4.417 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)Oc1ccccc1F ZINC000532238562 1032120990 /nfs/dbraw/zinc/12/09/90/1032120990.db2.gz IMKXBUJQJAVCOC-KGLIPLIRSA-N 1 0 332.375 4.160 20 5 EIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000557554271 1018737812 /nfs/dbraw/zinc/73/78/12/1018737812.db2.gz RXRDMCKJWAPNIN-CABCVRRESA-N 1 0 347.459 4.036 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CC)c2ccncc2)cc1[N+](=O)[O-] ZINC000153965440 1019070494 /nfs/dbraw/zinc/07/04/94/1019070494.db2.gz VKCNXMBTPPKQMI-XJKSGUPXSA-N 1 0 329.400 4.190 20 5 EIBDRO O=[N+]([O-])c1cccc(OCC[N@H+](Cc2ccc(Cl)cc2)C2CC2)c1 ZINC001167062394 1019160297 /nfs/dbraw/zinc/16/02/97/1019160297.db2.gz JZDIQIOJPYDCAD-UHFFFAOYSA-N 1 0 346.814 4.292 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000430229032 1019516685 /nfs/dbraw/zinc/51/66/85/1019516685.db2.gz UJHOXXUOXAEQGA-CQSZACIVSA-N 1 0 344.411 4.241 20 5 EIBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000547832025 1020784709 /nfs/dbraw/zinc/78/47/09/1020784709.db2.gz RYSUHDKJUCVQGC-CZUORRHYSA-N 1 0 344.415 4.093 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cn[nH]c1 ZINC000537953759 1020874692 /nfs/dbraw/zinc/87/46/92/1020874692.db2.gz HGKORRXPAINBLL-NEPJUHHUSA-N 1 0 342.424 4.458 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000121014946 1020956478 /nfs/dbraw/zinc/95/64/78/1020956478.db2.gz HQACRPMMPHJBEH-TYILLQQXSA-N 1 0 346.402 4.205 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177500045 1020985008 /nfs/dbraw/zinc/98/50/08/1020985008.db2.gz BIEYMEIWDMRXHN-OAHLLOKOSA-N 1 0 332.444 4.327 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCCC34CC4)cs2)c1 ZINC000601137802 1021188286 /nfs/dbraw/zinc/18/82/86/1021188286.db2.gz HZYZNJKBEUAXEM-HNNXBMFYSA-N 1 0 329.425 4.141 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCCSC2)o1 ZINC000581093226 1021830062 /nfs/dbraw/zinc/83/00/62/1021830062.db2.gz HHCVWVVWHVGLDJ-ZDUSSCGKSA-N 1 0 332.425 4.088 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000581230417 1021838157 /nfs/dbraw/zinc/83/81/57/1021838157.db2.gz DUKCIEYNNVEWNI-GMMCIKNFSA-N 1 0 328.334 4.272 20 5 EIBDRO C[C@H](CCN[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000379635506 1021846186 /nfs/dbraw/zinc/84/61/86/1021846186.db2.gz WFWVNABPEOQOKJ-SJORKVTESA-N 1 0 341.455 4.156 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2OC2CC2)cc1[N+](=O)[O-] ZINC000581574553 1021857040 /nfs/dbraw/zinc/85/70/40/1021857040.db2.gz DCJOOZWBLFMCOI-CQSZACIVSA-N 1 0 326.396 4.295 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000581985483 1021893929 /nfs/dbraw/zinc/89/39/29/1021893929.db2.gz ZZBAAVPFEWAUIP-LLVKDONJSA-N 1 0 339.317 4.168 20 5 EIBDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000530973964 1021897095 /nfs/dbraw/zinc/89/70/95/1021897095.db2.gz CWDUVBQUXTZLLA-WCQYABFASA-N 1 0 346.349 4.062 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cncc(F)c1 ZINC000414139219 1021942205 /nfs/dbraw/zinc/94/22/05/1021942205.db2.gz IBOZZEVZXFOSSI-APPDUMDISA-N 1 0 329.375 4.202 20 5 EIBDRO CCOc1cc(C[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001167396953 1022007192 /nfs/dbraw/zinc/00/71/92/1022007192.db2.gz DCHWSUDNONGHOC-MAUKXSAKSA-N 1 0 340.423 4.372 20 5 EIBDRO CCCC[NH2+]Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000236806128 1022089669 /nfs/dbraw/zinc/08/96/69/1022089669.db2.gz GWJGOFUEHWIARU-UHFFFAOYSA-N 1 0 344.411 4.072 20 5 EIBDRO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000120439270 1033033136 /nfs/dbraw/zinc/03/31/36/1033033136.db2.gz XLWGWCWREQPKGA-KRWDZBQOSA-N 1 0 341.411 4.116 20 5 EIBDRO CCc1ccc([C@H]([NH2+][C@H]2CS[C@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414222060 1022203858 /nfs/dbraw/zinc/20/38/58/1022203858.db2.gz DYKJKABUTAJTID-RVZJWNSFSA-N 1 0 346.452 4.323 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471612785 1022396254 /nfs/dbraw/zinc/39/62/54/1022396254.db2.gz UYOBXRRJHAPKDE-TWOQFEAHSA-N 1 0 341.455 4.245 20 5 EIBDRO CC[C@H](CCO)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000159087052 1022445807 /nfs/dbraw/zinc/44/58/07/1022445807.db2.gz GKMAYEMTIOVUKD-CHWSQXEVSA-N 1 0 334.441 4.135 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000579855807 1022500237 /nfs/dbraw/zinc/50/02/37/1022500237.db2.gz GCTHDVMTSFULDT-AWEZNQCLSA-N 1 0 328.334 4.149 20 5 EIBDRO C[C@@H]([NH2+]Cc1csc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000397354337 1033064265 /nfs/dbraw/zinc/06/42/65/1033064265.db2.gz VRZIMESBRPMWFI-SECBINFHSA-N 1 0 341.230 4.270 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414343352 1022653654 /nfs/dbraw/zinc/65/36/54/1022653654.db2.gz JQUDXWXUWUPGSS-MXASKKJJSA-N 1 0 326.396 4.045 20 5 EIBDRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000414346967 1022667672 /nfs/dbraw/zinc/66/76/72/1022667672.db2.gz WADWCTDPYZMPMD-AZOIQLNYSA-N 1 0 326.396 4.058 20 5 EIBDRO CCC(CC)[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)C ZINC000177866580 1022734607 /nfs/dbraw/zinc/73/46/07/1022734607.db2.gz YCZGWPWHHODAQL-UHFFFAOYSA-N 1 0 346.431 4.291 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H]2CCCS2)c2ccccc2)c1 ZINC000180753292 1022813523 /nfs/dbraw/zinc/81/35/23/1022813523.db2.gz LQPDSNLNCRADJR-ZWKOTPCHSA-N 1 0 328.437 4.169 20 5 EIBDRO COc1ccc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3F)CCCC2)cc1 ZINC000610481036 1022843369 /nfs/dbraw/zinc/84/33/69/1022843369.db2.gz LPWUEVYDASFTRG-UHFFFAOYSA-N 1 0 344.386 4.302 20 5 EIBDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])CCS2 ZINC000276074381 1022896683 /nfs/dbraw/zinc/89/66/83/1022896683.db2.gz AIAQIEWSSMMRKX-BLLLJJGKSA-N 1 0 344.436 4.491 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000150900718 1022931358 /nfs/dbraw/zinc/93/13/58/1022931358.db2.gz JFGBCJWRSKKTIV-RHSMWYFYSA-N 1 0 345.468 4.144 20 5 EIBDRO C[NH+](C)Cc1ccc(NCc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000414493810 1023244888 /nfs/dbraw/zinc/24/48/88/1023244888.db2.gz CKBVYUWIWIJOAN-UHFFFAOYSA-N 1 0 337.782 4.061 20 5 EIBDRO CC(C)c1ccc(C[NH2+]CC(C)(C)c2cccnc2)cc1[N+](=O)[O-] ZINC000414561157 1023252022 /nfs/dbraw/zinc/25/20/22/1023252022.db2.gz RWSHSYLLCLPNGR-UHFFFAOYSA-N 1 0 327.428 4.181 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Cl)cn1)CCCC2 ZINC000417307724 1023255569 /nfs/dbraw/zinc/25/55/69/1023255569.db2.gz GKGOLCBCGVNHGE-QGZVFWFLSA-N 1 0 331.803 4.201 20 5 EIBDRO CC(C)c1ccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000414814312 1023340431 /nfs/dbraw/zinc/34/04/31/1023340431.db2.gz VFIDNVASHKOVLP-CQSZACIVSA-N 1 0 327.428 4.028 20 5 EIBDRO CCCCc1nc(CN(C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000549154097 1023388034 /nfs/dbraw/zinc/38/80/34/1023388034.db2.gz SIRHLTUIMXCMON-UHFFFAOYSA-N 1 0 333.457 4.068 20 5 EIBDRO CC(C)c1ccc(C[NH2+]Cc2cccc3c2CCCN3)cc1[N+](=O)[O-] ZINC000415032957 1023402290 /nfs/dbraw/zinc/40/22/90/1023402290.db2.gz JREFKTBVHLLNIG-UHFFFAOYSA-N 1 0 339.439 4.366 20 5 EIBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc2ccccc21 ZINC000051121005 1023448941 /nfs/dbraw/zinc/44/89/41/1023448941.db2.gz ATEGYOUCIYHMBL-ZDUSSCGKSA-N 1 0 346.390 4.475 20 5 EIBDRO COc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000500172615 1023566336 /nfs/dbraw/zinc/56/63/36/1023566336.db2.gz NMEVVGDJHIUICJ-SFHVURJKSA-N 1 0 340.423 4.119 20 5 EIBDRO COCCCC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178106519 1023612671 /nfs/dbraw/zinc/61/26/71/1023612671.db2.gz UXMVOSXJPFSBPZ-CYBMUJFWSA-N 1 0 334.441 4.401 20 5 EIBDRO COCC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC1 ZINC000500383813 1023771606 /nfs/dbraw/zinc/77/16/06/1023771606.db2.gz LSRJPKJJLJMRTE-UHFFFAOYSA-N 1 0 346.452 4.230 20 5 EIBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000566797706 1023817336 /nfs/dbraw/zinc/81/73/36/1023817336.db2.gz MJKPNQNBSQJXTP-SJLPKXTDSA-N 1 0 332.444 4.109 20 5 EIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cs1 ZINC000047265872 1023879684 /nfs/dbraw/zinc/87/96/84/1023879684.db2.gz OIGYCSZZMMTKEZ-ZDUSSCGKSA-N 1 0 343.408 4.177 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]4CCC[C@@H]43)s2)cc1 ZINC000510649863 1024164970 /nfs/dbraw/zinc/16/49/70/1024164970.db2.gz YPSOJFSZLWQXOQ-DLBZAZTESA-N 1 0 344.436 4.077 20 5 EIBDRO CC(C)(C)OC1CC(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000432251450 1024753583 /nfs/dbraw/zinc/75/35/83/1024753583.db2.gz SNJZNCWWRSTDSB-SOFGYWHQSA-N 1 0 332.444 4.181 20 5 EIBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000610741094 1024805448 /nfs/dbraw/zinc/80/54/48/1024805448.db2.gz DQFZZCJVCWRFBN-KGLIPLIRSA-N 1 0 346.452 4.228 20 5 EIBDRO COc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C(C)C)cc1 ZINC000283185558 1024892431 /nfs/dbraw/zinc/89/24/31/1024892431.db2.gz QHPIAHRPAKNYIX-SFHVURJKSA-N 1 0 332.375 4.229 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000136732165 1024903285 /nfs/dbraw/zinc/90/32/85/1024903285.db2.gz SBFQDMHOXCOVQC-HNNXBMFYSA-N 1 0 338.835 4.220 20 5 EIBDRO C[C@H]1CC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H](C)O1 ZINC000128585865 1025209581 /nfs/dbraw/zinc/20/95/81/1025209581.db2.gz LGCVOOJFMRQPTF-STQMWFEESA-N 1 0 346.452 4.369 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000178480479 1025292013 /nfs/dbraw/zinc/29/20/13/1025292013.db2.gz UFSZRIBKFGBKGY-SUMWQHHRSA-N 1 0 342.395 4.168 20 5 EIBDRO C[C@@H]1CCC[C@H]([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1C ZINC000162946630 1025307340 /nfs/dbraw/zinc/30/73/40/1025307340.db2.gz WIHGZEAPGGGTTJ-CPUCHLNUSA-N 1 0 343.427 4.207 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1C)c1cccc([N+](=O)[O-])c1 ZINC000342158078 1025353095 /nfs/dbraw/zinc/35/30/95/1025353095.db2.gz GFJXIXWDUYCBOT-QGZVFWFLSA-N 1 0 344.411 4.161 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000510998269 1025394583 /nfs/dbraw/zinc/39/45/83/1025394583.db2.gz OALVXVYHKSGTGG-DOMZBBRYSA-N 1 0 328.815 4.299 20 5 EIBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1(CC)CC ZINC001167819394 1025417707 /nfs/dbraw/zinc/41/77/07/1025417707.db2.gz MZABZHZAMNRLQR-SJORKVTESA-N 1 0 338.423 4.150 20 5 EIBDRO CCOCc1ccccc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000119552297 1025487377 /nfs/dbraw/zinc/48/73/77/1025487377.db2.gz XNZYLHCGALVKRI-OAHLLOKOSA-N 1 0 328.412 4.291 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1cc(F)cc(F)c1)C1CC1 ZINC000482123694 1025571401 /nfs/dbraw/zinc/57/14/01/1025571401.db2.gz QAZJQDAXZMVSFL-SFHVURJKSA-N 1 0 346.377 4.026 20 5 EIBDRO Cc1ccc(CN(C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)o1 ZINC000506775747 1025703544 /nfs/dbraw/zinc/70/35/44/1025703544.db2.gz JPECHLJZGJSRQA-UHFFFAOYSA-N 1 0 326.352 4.388 20 5 EIBDRO COc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)c1 ZINC000539065990 1025788326 /nfs/dbraw/zinc/78/83/26/1025788326.db2.gz LTLGUSZERVEEFG-LJQANCHMSA-N 1 0 340.423 4.023 20 5 EIBDRO CCC[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000585765595 1025829119 /nfs/dbraw/zinc/82/91/19/1025829119.db2.gz YBGDXOHTZLKOMJ-SFHVURJKSA-N 1 0 338.411 4.145 20 5 EIBDRO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@H]1CCCOC1 ZINC000119754166 1026053716 /nfs/dbraw/zinc/05/37/16/1026053716.db2.gz XINBKQBFZWPFAA-CQSZACIVSA-N 1 0 346.452 4.182 20 5 EIBDRO Cc1ccc(C[NH2+][C@@H](c2ncccc2C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000934288699 1026155332 /nfs/dbraw/zinc/15/53/32/1026155332.db2.gz XIBPPOBDVDFVCX-SFHVURJKSA-N 1 0 327.428 4.484 20 5 EIBDRO CCC[C@@H](NC1CC[NH+](C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000119864716 1026212751 /nfs/dbraw/zinc/21/27/51/1026212751.db2.gz AEXRGKQINKOZPW-GOSISDBHSA-N 1 0 333.476 4.289 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC3(CCOCC3)CC2)c(Cl)c1 ZINC000344325479 1026244566 /nfs/dbraw/zinc/24/45/66/1026244566.db2.gz HMEHYXCXQOCXLQ-UHFFFAOYSA-N 1 0 338.835 4.077 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCSC2)s1 ZINC000572105236 1026354479 /nfs/dbraw/zinc/35/44/79/1026354479.db2.gz XVJZWWWHZYAIPA-GFCCVEGCSA-N 1 0 334.466 4.166 20 5 EIBDRO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000519569816 1026373840 /nfs/dbraw/zinc/37/38/40/1026373840.db2.gz WPPIZPLEQADCMG-CQSZACIVSA-N 1 0 326.824 4.028 20 5 EIBDRO Cc1ccc2c(C[NH2+][C@@H](C)c3ccccc3[N+](=O)[O-])ccc(O)c2n1 ZINC000338288587 1026516793 /nfs/dbraw/zinc/51/67/93/1026516793.db2.gz LIYPKGQPQKXAPY-ZDUSSCGKSA-N 1 0 337.379 4.008 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000478237212 1026528791 /nfs/dbraw/zinc/52/87/91/1026528791.db2.gz OOBLQEMVMNAGAG-SFHVURJKSA-N 1 0 326.371 4.460 20 5 EIBDRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000478501734 1026571297 /nfs/dbraw/zinc/57/12/97/1026571297.db2.gz RZGKIGJIDLIWPI-GOSISDBHSA-N 1 0 340.423 4.424 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000050015632 1026681069 /nfs/dbraw/zinc/68/10/69/1026681069.db2.gz VYHFHRGTQUHFFN-HNNXBMFYSA-N 1 0 347.212 4.134 20 5 EIBDRO COc1ccc([C@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000512339357 1026738780 /nfs/dbraw/zinc/73/87/80/1026738780.db2.gz UMSLFHLANMFLBP-JXTAAOLFSA-N 1 0 338.407 4.106 20 5 EIBDRO Cc1c([C@H](C)[NH2+]CCc2cc(F)c(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000507424797 1026791610 /nfs/dbraw/zinc/79/16/10/1026791610.db2.gz UGLIDCIJSREHMU-NSHDSACASA-N 1 0 338.329 4.214 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC1(F)CCC1 ZINC000572433074 1026794697 /nfs/dbraw/zinc/79/46/97/1026794697.db2.gz FDUGIOFDFFWBIH-ZDUSSCGKSA-N 1 0 326.437 4.337 20 5 EIBDRO CC[C@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000507477124 1026808742 /nfs/dbraw/zinc/80/87/42/1026808742.db2.gz LBBSBKKPRFNUGN-INIZCTEOSA-N 1 0 338.329 4.296 20 5 EIBDRO COc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(OC)c1 ZINC000479582463 1026844130 /nfs/dbraw/zinc/84/41/30/1026844130.db2.gz YEDDRZKITTXSCK-UHFFFAOYSA-N 1 0 344.411 4.023 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)c(F)c1 ZINC000479921871 1026912595 /nfs/dbraw/zinc/91/25/95/1026912595.db2.gz JQAGGPGVZQXERS-UHFFFAOYSA-N 1 0 332.350 4.432 20 5 EIBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167627397 1027500465 /nfs/dbraw/zinc/50/04/65/1027500465.db2.gz DLAVESHCQGBOBT-UHFFFAOYSA-N 1 0 349.475 4.175 20 5 EIBDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000475547763 1027583565 /nfs/dbraw/zinc/58/35/65/1027583565.db2.gz IFGDFZSXCAAOKO-IBGZPJMESA-N 1 0 344.411 4.246 20 5 EIBDRO Cc1nc(-c2ccc(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)o2)cs1 ZINC000164428924 1027585032 /nfs/dbraw/zinc/58/50/32/1027585032.db2.gz RCETYZHGLPDOJL-NSHDSACASA-N 1 0 343.408 4.471 20 5 EIBDRO Cn1cc(C[N@H+](C)[C@H]2CCC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475545294 1027596412 /nfs/dbraw/zinc/59/64/12/1027596412.db2.gz BCRKQRQEQNJEMZ-KRWDZBQOSA-N 1 0 342.443 4.006 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000544386524 1027691362 /nfs/dbraw/zinc/69/13/62/1027691362.db2.gz XJCYTWCWWBGJIX-BLVKFPJESA-N 1 0 344.386 4.156 20 5 EIBDRO CC(C)N(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1F ZINC000444602813 1027886334 /nfs/dbraw/zinc/88/63/34/1027886334.db2.gz MUWZWGJEKUNAKA-UHFFFAOYSA-N 1 0 342.374 4.021 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3(c4ccccc4)CCCC3)nc2c1 ZINC000444677272 1027959938 /nfs/dbraw/zinc/95/99/38/1027959938.db2.gz SMZYQCUZHMAQHO-UHFFFAOYSA-N 1 0 336.395 4.030 20 5 EIBDRO Cc1cc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)s1 ZINC000444683337 1027967113 /nfs/dbraw/zinc/96/71/13/1027967113.db2.gz FULVFMOUODTFCB-JTQLQIEISA-N 1 0 330.413 4.000 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000523439211 1028114851 /nfs/dbraw/zinc/11/48/51/1028114851.db2.gz OCSODBGZFMMWEG-HNNXBMFYSA-N 1 0 328.412 4.413 20 5 EIBDRO COCC[C@@H](C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414485200 1028247591 /nfs/dbraw/zinc/24/75/91/1028247591.db2.gz QTHQJFIGLQSRJS-CYBMUJFWSA-N 1 0 334.441 4.086 20 5 EIBDRO COc1ccc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC000523582852 1028249230 /nfs/dbraw/zinc/24/92/30/1028249230.db2.gz JMPQUSCATGYLNM-HNNXBMFYSA-N 1 0 346.814 4.246 20 5 EIBDRO C[C@H]([NH2+]C1(CNc2ccc([N+](=O)[O-])nc2)CCCC1)c1ccccc1 ZINC000583210509 1028263094 /nfs/dbraw/zinc/26/30/94/1028263094.db2.gz XVNQCJYPQQIHQE-HNNXBMFYSA-N 1 0 340.427 4.065 20 5 EIBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](C)c1cccc(OC)c1 ZINC000523702141 1028323934 /nfs/dbraw/zinc/32/39/34/1028323934.db2.gz XMZOOZKGFFIVLY-OAHLLOKOSA-N 1 0 328.412 4.229 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC3Cc4ccccc4C3)o2)c1 ZINC000522716388 1028725112 /nfs/dbraw/zinc/72/51/12/1028725112.db2.gz APGXAIRJRKTFPD-UHFFFAOYSA-N 1 0 348.402 4.359 20 5 EIBDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000583432779 1028725479 /nfs/dbraw/zinc/72/54/79/1028725479.db2.gz ALLYRTWKZXOUCO-KRWDZBQOSA-N 1 0 344.411 4.195 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc(C3CCCC3)s2)cc1 ZINC000136050088 1028827703 /nfs/dbraw/zinc/82/77/03/1028827703.db2.gz XXYBVPCAWDMBPT-UHFFFAOYSA-N 1 0 331.441 4.041 20 5 EIBDRO CCOCCC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000583510500 1028832236 /nfs/dbraw/zinc/83/22/36/1028832236.db2.gz TYYWJBNSXIJMSO-QGZVFWFLSA-N 1 0 332.444 4.159 20 5 EIBDRO COCCC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000475336966 1029551212 /nfs/dbraw/zinc/55/12/12/1029551212.db2.gz PBHUKHUTLSUBDS-LJQANCHMSA-N 1 0 342.439 4.031 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc2ncccc2c1 ZINC000475333023 1029560320 /nfs/dbraw/zinc/56/03/20/1029560320.db2.gz RRHFCZBBGXFFGC-GDNBJRDFSA-N 1 0 333.391 4.336 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)c1cccc(C)c1 ZINC000525459619 1029643014 /nfs/dbraw/zinc/64/30/14/1029643014.db2.gz OVISSAKPERKXBD-OAHLLOKOSA-N 1 0 328.412 4.195 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc2sccc2c1 ZINC000584320565 1029735214 /nfs/dbraw/zinc/73/52/14/1029735214.db2.gz AFLQNKMDMGDSJX-UHFFFAOYSA-N 1 0 342.420 4.498 20 5 EIBDRO COCC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(C)o1 ZINC000278725534 1029741988 /nfs/dbraw/zinc/74/19/88/1029741988.db2.gz MLJJYKFFGUBBIY-MSOLQXFVSA-N 1 0 344.411 4.241 20 5 EIBDRO CCOCC(C)(C)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000584374283 1029783544 /nfs/dbraw/zinc/78/35/44/1029783544.db2.gz ZMANDDJIYJEVQJ-UHFFFAOYSA-N 1 0 332.400 4.007 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCOc2c(F)cccc21 ZINC000584420418 1029841471 /nfs/dbraw/zinc/84/14/71/1029841471.db2.gz HYYDWMBRRJOWJV-IRXDYDNUSA-N 1 0 342.370 4.225 20 5 EIBDRO CC[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447527905 1030122285 /nfs/dbraw/zinc/12/22/85/1030122285.db2.gz HJCVVLHIHMBXDF-BPQIPLTHSA-N 1 0 342.443 4.058 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOc3c(F)cccc31)CCC2 ZINC000447596846 1030199735 /nfs/dbraw/zinc/19/97/35/1030199735.db2.gz CYHUZNSPVFNMMH-QZTJIDSGSA-N 1 0 342.370 4.225 20 5 EIBDRO COc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000451055483 1030209128 /nfs/dbraw/zinc/20/91/28/1030209128.db2.gz OHOWDFCRKHEEMC-UHFFFAOYSA-N 1 0 334.803 4.282 20 5 EIBDRO COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000526994501 1030390981 /nfs/dbraw/zinc/39/09/81/1030390981.db2.gz GWTIKENDVWBHFS-HIFRSBDPSA-N 1 0 328.412 4.194 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCSC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000530476073 1030445378 /nfs/dbraw/zinc/44/53/78/1030445378.db2.gz LWTMFWZTHRCFOJ-NEPJUHHUSA-N 1 0 334.466 4.479 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCC12CCCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451461862 1030512989 /nfs/dbraw/zinc/51/29/89/1030512989.db2.gz VCEAQDIHDNPOPG-WFASDCNBSA-N 1 0 342.399 4.018 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2CCSC2)c2ccccc2)c1 ZINC000448029775 1030525281 /nfs/dbraw/zinc/52/52/81/1030525281.db2.gz QWHYXMCNEOVTIN-RDTXWAMCSA-N 1 0 328.437 4.027 20 5 EIBDRO CC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000451543166 1030563902 /nfs/dbraw/zinc/56/39/02/1030563902.db2.gz BCLCLSXKXLZAQX-LJQANCHMSA-N 1 0 338.407 4.177 20 5 EIBDRO CC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000451543165 1030564619 /nfs/dbraw/zinc/56/46/19/1030564619.db2.gz BCLCLSXKXLZAQX-IBGZPJMESA-N 1 0 338.407 4.177 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2CCC2CCCCC2)cc1 ZINC001168174910 1030666940 /nfs/dbraw/zinc/66/69/40/1030666940.db2.gz JXDWLAPBXKLFOY-ICSRJNTNSA-N 1 0 346.471 4.453 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCCN(C)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000451866314 1030744936 /nfs/dbraw/zinc/74/49/36/1030744936.db2.gz JLCCSNSZGOTTSX-RDTXWAMCSA-N 1 0 325.412 4.217 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCCN(C)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000451863605 1030746038 /nfs/dbraw/zinc/74/60/38/1030746038.db2.gz FZWVPQXKROZTCN-RDTXWAMCSA-N 1 0 325.412 4.217 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000530973851 1030822040 /nfs/dbraw/zinc/82/20/40/1030822040.db2.gz FBKNKEZIEHWIQL-QJNYJZHLSA-N 1 0 326.396 4.199 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CC34CCCC4)cs2)c1 ZINC000428549031 1030825325 /nfs/dbraw/zinc/82/53/25/1030825325.db2.gz PDOAPGZCEAKHHX-OAHLLOKOSA-N 1 0 329.425 4.141 20 5 EIBDRO Cc1ccc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000531282771 1031038465 /nfs/dbraw/zinc/03/84/65/1031038465.db2.gz SQTHFMCCTCXSQZ-AZUAARDMSA-N 1 0 340.423 4.222 20 5 EIBDRO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000531282772 1031039132 /nfs/dbraw/zinc/03/91/32/1031039132.db2.gz SQTHFMCCTCXSQZ-ICSRJNTNSA-N 1 0 340.423 4.222 20 5 EIBDRO C[C@H](C1CC1)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000170909019 1031057137 /nfs/dbraw/zinc/05/71/37/1031057137.db2.gz DCQGOAYQENPZQK-CYBMUJFWSA-N 1 0 341.411 4.055 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2c[nH]c3ccccc23)c(Cl)c1 ZINC000612181111 1031145955 /nfs/dbraw/zinc/14/59/55/1031145955.db2.gz NKEFYKFGMWFIKK-UHFFFAOYSA-N 1 0 343.814 4.452 20 5 EIBDRO Cc1ccc(C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000532469705 1031161089 /nfs/dbraw/zinc/16/10/89/1031161089.db2.gz CNPGMFQDSLJRCB-INIZCTEOSA-N 1 0 344.386 4.434 20 5 EIBDRO CC(C)([NH2+]Cc1cc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000136298546 1031256614 /nfs/dbraw/zinc/25/66/14/1031256614.db2.gz ZWXHDDNERXEXMT-UHFFFAOYSA-N 1 0 336.395 4.010 20 5 EIBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000248964876 1031345896 /nfs/dbraw/zinc/34/58/96/1031345896.db2.gz BNZKJRYMAUQEFH-MELADBBJSA-N 1 0 346.452 4.135 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnn2C2CCCC2)cc1[N+](=O)[O-] ZINC000449172485 1031489914 /nfs/dbraw/zinc/48/99/14/1031489914.db2.gz MIJPEIZRCUBWHV-CQSZACIVSA-N 1 0 328.416 4.066 20 5 EIBDRO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000531706670 1031490724 /nfs/dbraw/zinc/49/07/24/1031490724.db2.gz RPQIJPNLWBHLHG-YJBOKZPZSA-N 1 0 345.443 4.230 20 5 EIBDRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000449221706 1031555294 /nfs/dbraw/zinc/55/52/94/1031555294.db2.gz AWMMGFVUBJVOIV-BJZITVGISA-N 1 0 334.460 4.099 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449251124 1031568005 /nfs/dbraw/zinc/56/80/05/1031568005.db2.gz NCYKTHZSBOZMBP-NJSLBKSFSA-N 1 0 346.402 4.031 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000449288750 1031618034 /nfs/dbraw/zinc/61/80/34/1031618034.db2.gz ZWCPGUKTLXNCJQ-HPUBIQBYSA-N 1 0 334.460 4.099 20 5 EIBDRO C[C@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000449347206 1031644458 /nfs/dbraw/zinc/64/44/58/1031644458.db2.gz GPTDGXVFONQFQC-ZDUSSCGKSA-N 1 0 326.396 4.159 20 5 EIBDRO CC(F)(F)CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449351811 1031650518 /nfs/dbraw/zinc/65/05/18/1031650518.db2.gz RTTNOMKCYOBYLF-UKRRQHHQSA-N 1 0 326.387 4.331 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000612580613 1031669469 /nfs/dbraw/zinc/66/94/69/1031669469.db2.gz KVEYTPFSYUASPJ-DZGCQCFKSA-N 1 0 330.350 4.362 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000449353429 1031674454 /nfs/dbraw/zinc/67/44/54/1031674454.db2.gz BICSIMNRUAPTLQ-MJGOQNOKSA-N 1 0 346.471 4.102 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCC1(F)F ZINC000449380087 1031690769 /nfs/dbraw/zinc/69/07/69/1031690769.db2.gz VEOSYYKEGFFBMK-UKRRQHHQSA-N 1 0 326.387 4.331 20 5 EIBDRO CCO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000449504079 1031811668 /nfs/dbraw/zinc/81/16/68/1031811668.db2.gz YHONJTLLMREVCT-RDTXWAMCSA-N 1 0 344.411 4.102 20 5 EIBDRO COC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000449775645 1032000269 /nfs/dbraw/zinc/00/02/69/1032000269.db2.gz MZMQIDRGELOSHH-OAHLLOKOSA-N 1 0 344.411 4.103 20 5 EIBDRO COC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000449782376 1032006039 /nfs/dbraw/zinc/00/60/39/1032006039.db2.gz ZGRKSCQEMSIIIU-OAHLLOKOSA-N 1 0 344.411 4.103 20 5 EIBDRO COc1cnccc1[C@@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433095172 1033831205 /nfs/dbraw/zinc/83/12/05/1033831205.db2.gz BZVNTRJFHPZLEW-SJKOYZFVSA-N 1 0 341.411 4.072 20 5 EIBDRO CC(C)(C)[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000542320590 1033841401 /nfs/dbraw/zinc/84/14/01/1033841401.db2.gz QYMKUINNSYEQGW-HNNXBMFYSA-N 1 0 343.427 4.160 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433138634 1033916900 /nfs/dbraw/zinc/91/69/00/1033916900.db2.gz YMYAMUUKJDMUIP-SFHVURJKSA-N 1 0 326.396 4.116 20 5 EIBDRO COCc1ccccc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433145735 1033929698 /nfs/dbraw/zinc/92/96/98/1033929698.db2.gz RNEMUZJETZOMTM-IBGZPJMESA-N 1 0 340.423 4.253 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433171813 1033989036 /nfs/dbraw/zinc/98/90/36/1033989036.db2.gz BIBIUEYEKDAZCK-QGZVFWFLSA-N 1 0 332.350 4.385 20 5 EIBDRO Cc1csc([C@H](C)C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000433225253 1034070397 /nfs/dbraw/zinc/07/03/97/1034070397.db2.gz ATDSYWCICAWLMI-BZNIZROVSA-N 1 0 345.468 4.475 20 5 EIBDRO C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000433221834 1034070928 /nfs/dbraw/zinc/07/09/28/1034070928.db2.gz RRVNIZZUTZBVCD-QWQRMKEZSA-N 1 0 332.444 4.112 20 5 EIBDRO C[C@@H](CCO)C1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000433229781 1034078654 /nfs/dbraw/zinc/07/86/54/1034078654.db2.gz FEPZFTIKHUAGLQ-KSSFIOAISA-N 1 0 346.471 4.096 20 5 EIBDRO CSc1cc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ccn1 ZINC000433280099 1034143239 /nfs/dbraw/zinc/14/32/39/1034143239.db2.gz ARWVJVLBBJUWML-MRXNPFEDSA-N 1 0 343.452 4.224 20 5 EIBDRO CC[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000433283908 1034187350 /nfs/dbraw/zinc/18/73/50/1034187350.db2.gz DOFPSZPKDUCKQW-MSOLQXFVSA-N 1 0 332.444 4.112 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3CCC(F)(F)C3)o2)c1 ZINC000430032113 1035010183 /nfs/dbraw/zinc/01/01/83/1035010183.db2.gz BKZZXMABQDIGKV-LBPRGKRZSA-N 1 0 336.338 4.380 20 5 EIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(Br)cc1 ZINC000404222511 1035099782 /nfs/dbraw/zinc/09/97/82/1035099782.db2.gz WIRFYEITDYYCFO-UHFFFAOYSA-N 1 0 349.228 4.032 20 5 EIBDRO COc1ccccc1[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595003303 1035527111 /nfs/dbraw/zinc/52/71/11/1035527111.db2.gz GMBCBCHPVMJHNM-STQMWFEESA-N 1 0 330.384 4.024 20 5 EIBDRO CC[C@H]([NH2+][C@@H](COC)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000595071022 1035556257 /nfs/dbraw/zinc/55/62/57/1035556257.db2.gz XIBKKRIRZOGZJX-OALUTQOASA-N 1 0 344.411 4.032 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000595047108 1035568164 /nfs/dbraw/zinc/56/81/64/1035568164.db2.gz RCUIZKZSBYHGGP-WDEREUQCSA-N 1 0 334.338 4.375 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000595050064 1035570319 /nfs/dbraw/zinc/57/03/19/1035570319.db2.gz FIPKOTGVZBLOMD-LSDHHAIUSA-N 1 0 343.427 4.060 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000595050440 1035570641 /nfs/dbraw/zinc/57/06/41/1035570641.db2.gz IIRKWYDXVKOLBT-VOMCLLRMSA-N 1 0 328.359 4.078 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(OC)cc1 ZINC000574890081 1035573495 /nfs/dbraw/zinc/57/34/95/1035573495.db2.gz MXPHSMNPKFYMDC-ZWKOTPCHSA-N 1 0 326.396 4.332 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](c1ccccc1)[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000595101417 1035588333 /nfs/dbraw/zinc/58/83/33/1035588333.db2.gz FLACTVLNCVIXOM-ZOCIIQOWSA-N 1 0 328.412 4.148 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(OC)c2C)cc1[N+](=O)[O-] ZINC000595107500 1035588418 /nfs/dbraw/zinc/58/84/18/1035588418.db2.gz WOTBWXIOFJYZTG-AWEZNQCLSA-N 1 0 344.411 4.161 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1nsc2ccccc12 ZINC000595096446 1035604470 /nfs/dbraw/zinc/60/44/70/1035604470.db2.gz ZBVBJQWXZQXMHI-OAHLLOKOSA-N 1 0 339.420 4.024 20 5 EIBDRO Cc1noc(C[N@H+](CCc2cccc(F)c2)C2CCCC2)c1[N+](=O)[O-] ZINC000595340128 1035634858 /nfs/dbraw/zinc/63/48/58/1035634858.db2.gz VZIGKEUHPATOKM-UHFFFAOYSA-N 1 0 347.390 4.018 20 5 EIBDRO Cc1cc([C@@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C2CC2)ccc1F ZINC000595425939 1035675275 /nfs/dbraw/zinc/67/52/75/1035675275.db2.gz VNUWVZAAKAZFOT-SFHVURJKSA-N 1 0 332.350 4.422 20 5 EIBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595708589 1035770610 /nfs/dbraw/zinc/77/06/10/1035770610.db2.gz UJUVSJBXSIJSJS-ORAYPTAESA-N 1 0 349.390 4.068 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)CC(F)(F)F ZINC000596063228 1035818016 /nfs/dbraw/zinc/81/80/16/1035818016.db2.gz IYLXTDZVTQCERX-UHFFFAOYSA-N 1 0 334.338 4.062 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)F)ccc1NC1CC[NH+](C2CCCC2)CC1 ZINC000596154468 1035827349 /nfs/dbraw/zinc/82/73/49/1035827349.db2.gz MQLYPPSOMRYRLL-UHFFFAOYSA-N 1 0 339.386 4.351 20 5 EIBDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000237135013 1035842067 /nfs/dbraw/zinc/84/20/67/1035842067.db2.gz KNAWJIQPHGOXNS-CYBMUJFWSA-N 1 0 332.400 4.148 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)F)ccc1NCC1CC[NH+](CC2CC2)CC1 ZINC000596561428 1035898217 /nfs/dbraw/zinc/89/82/17/1035898217.db2.gz AXCLVGYEEZNKMH-UHFFFAOYSA-N 1 0 339.386 4.066 20 5 EIBDRO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000485570394 1036029813 /nfs/dbraw/zinc/02/98/13/1036029813.db2.gz PLKYCOXUTSFHRP-OAHLLOKOSA-N 1 0 330.384 4.314 20 5 EIBDRO COCc1csc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000597136944 1036117376 /nfs/dbraw/zinc/11/73/76/1036117376.db2.gz CQYFLCXWZDQTDM-MRXNPFEDSA-N 1 0 346.452 4.182 20 5 EIBDRO COc1ccc(C[NH2+][C@H](C)c2ccc3ncsc3c2)cc1[N+](=O)[O-] ZINC000485692469 1036173850 /nfs/dbraw/zinc/17/38/50/1036173850.db2.gz FSEDOFWUQAYSBW-LLVKDONJSA-N 1 0 343.408 4.064 20 5 EIBDRO C[C@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1ccc([N+](=O)[O-])cc1 ZINC000593320706 1036178682 /nfs/dbraw/zinc/17/86/82/1036178682.db2.gz DLUFJZRQDZODIL-YOEHRIQHSA-N 1 0 325.412 4.062 20 5 EIBDRO COc1cc(CN(C)[C@H](C)c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000485742266 1036238438 /nfs/dbraw/zinc/23/84/38/1036238438.db2.gz GIIXCABZWZUFCM-LLVKDONJSA-N 1 0 336.338 4.075 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000502484764 1036262124 /nfs/dbraw/zinc/26/21/24/1036262124.db2.gz HYKRRJJVDCVXLY-GOSISDBHSA-N 1 0 332.375 4.229 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000602565486 1036495476 /nfs/dbraw/zinc/49/54/76/1036495476.db2.gz BYAXXHUYFTZHMO-LLVKDONJSA-N 1 0 338.276 4.281 20 5 EIBDRO C[C@@H](CCc1ccccc1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588959292 1036621518 /nfs/dbraw/zinc/62/15/18/1036621518.db2.gz WXPGHPNVUUSLPM-HNNXBMFYSA-N 1 0 337.423 4.230 20 5 EIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CC3 ZINC000486473221 1036719800 /nfs/dbraw/zinc/71/98/00/1036719800.db2.gz FHWRHPDLDVGACL-OAHLLOKOSA-N 1 0 335.407 4.032 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000421855634 1036810471 /nfs/dbraw/zinc/81/04/71/1036810471.db2.gz MLXIIWLFDDGMHM-QLFBSQMISA-N 1 0 338.473 4.013 20 5 EIBDRO Cn1cc(C[N@@H+]2CCC[C@@H]2C(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513759905 1036822060 /nfs/dbraw/zinc/82/20/60/1036822060.db2.gz HRQWOBBWMVVKFJ-QGZVFWFLSA-N 1 0 342.443 4.006 20 5 EIBDRO CCC[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)OCC ZINC000598989615 1036833475 /nfs/dbraw/zinc/83/34/75/1036833475.db2.gz NZLIXTLPDHGIDA-MRXNPFEDSA-N 1 0 349.456 4.013 20 5 EIBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](c2ccccc2)O1)c1cccc([N+](=O)[O-])c1 ZINC000593718464 1036925176 /nfs/dbraw/zinc/92/51/76/1036925176.db2.gz HSAPDOBVDPFIIY-JVPBZIDWSA-N 1 0 326.396 4.166 20 5 EIBDRO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000603662472 1036929933 /nfs/dbraw/zinc/92/99/33/1036929933.db2.gz CVECSEZXDGLEQF-AWEZNQCLSA-N 1 0 340.379 4.413 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)c(F)c1 ZINC000590198440 1037009018 /nfs/dbraw/zinc/00/90/18/1037009018.db2.gz LPOGTZXUQGZMRU-JOCQHMNTSA-N 1 0 334.778 4.423 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC1(OC)CCC1 ZINC000590258911 1037024392 /nfs/dbraw/zinc/02/43/92/1037024392.db2.gz LLTBELPZKMBRNR-CQSZACIVSA-N 1 0 338.473 4.014 20 5 EIBDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000603836877 1037032144 /nfs/dbraw/zinc/03/21/44/1037032144.db2.gz XUKYVEWTMFNHKL-IBGZPJMESA-N 1 0 326.396 4.249 20 5 EIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000603854138 1037047002 /nfs/dbraw/zinc/04/70/02/1037047002.db2.gz SDOYCOONNBOTPY-INIZCTEOSA-N 1 0 346.814 4.464 20 5 EIBDRO CC1CC[NH+](CCCCNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000603860574 1037057714 /nfs/dbraw/zinc/05/77/14/1037057714.db2.gz MPGHCFZNNUSZOJ-UHFFFAOYSA-N 1 0 342.443 4.067 20 5 EIBDRO CC1(C)CCC(C)(C)[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000599537598 1037066433 /nfs/dbraw/zinc/06/64/33/1037066433.db2.gz GEQWVQFTLRZAQZ-UHFFFAOYSA-N 1 0 344.415 4.045 20 5 EIBDRO COc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H](C)C2CC2)cc1 ZINC000057601237 1037133524 /nfs/dbraw/zinc/13/35/24/1037133524.db2.gz MEMPMRJQRVMIMP-OAHLLOKOSA-N 1 0 340.423 4.404 20 5 EIBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000604012595 1037146975 /nfs/dbraw/zinc/14/69/75/1037146975.db2.gz TZEQSWFGZPWQSG-LJQANCHMSA-N 1 0 326.396 4.201 20 5 EIBDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000590967189 1037214090 /nfs/dbraw/zinc/21/40/90/1037214090.db2.gz FHJRUOOHFFSFBX-GASCZTMLSA-N 1 0 342.420 4.019 20 5 EIBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604520687 1037402696 /nfs/dbraw/zinc/40/26/96/1037402696.db2.gz CBVIPPNTAUSFOJ-QUCCMNQESA-N 1 0 340.423 4.195 20 5 EIBDRO COc1cccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC(C)C)c1 ZINC000604493129 1037407993 /nfs/dbraw/zinc/40/79/93/1037407993.db2.gz QWYDEQYEMSFLQL-UHFFFAOYSA-N 1 0 328.412 4.262 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592157340 1037763960 /nfs/dbraw/zinc/76/39/60/1037763960.db2.gz UVTHCKQQGSHNFO-CQSZACIVSA-N 1 0 348.443 4.100 20 5 EIBDRO COc1ccc(C[NH2+]C2(c3cccc(Cl)c3)CCC2)cc1[N+](=O)[O-] ZINC000592182980 1037770196 /nfs/dbraw/zinc/77/01/96/1037770196.db2.gz GDZLYHARRNTHOX-UHFFFAOYSA-N 1 0 346.814 4.426 20 5 EIBDRO CSC[C@@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000488985186 1037825770 /nfs/dbraw/zinc/82/57/70/1037825770.db2.gz QUPQXKISJPZTHK-CYBMUJFWSA-N 1 0 331.441 4.031 20 5 EIBDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000489062217 1037854721 /nfs/dbraw/zinc/85/47/21/1037854721.db2.gz DRQZBZORPIWDFF-ACJLOTCBSA-N 1 0 348.468 4.210 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000489150035 1037883206 /nfs/dbraw/zinc/88/32/06/1037883206.db2.gz AJPDUKOAJQBGSI-YWZLYKJASA-N 1 0 340.423 4.210 20 5 EIBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1 ZINC000489204008 1037893418 /nfs/dbraw/zinc/89/34/18/1037893418.db2.gz GSSJVIKEMHRMRI-LJQANCHMSA-N 1 0 325.412 4.152 20 5 EIBDRO C[C@@H]1SCC[C@@H]1[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000592397123 1037970209 /nfs/dbraw/zinc/97/02/09/1037970209.db2.gz DCSWHYFUWSMWAJ-DOPJRALCSA-N 1 0 328.437 4.168 20 5 EIBDRO CCc1ccc([C@H]([NH2+][C@H]2CCS[C@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000592397199 1037973834 /nfs/dbraw/zinc/97/38/34/1037973834.db2.gz DOPCMZXMFMEFLW-ULFGMLNVSA-N 1 0 346.452 4.323 20 5 EIBDRO Cc1ccccc1C[NH+]1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000063262982 1038117115 /nfs/dbraw/zinc/11/71/15/1038117115.db2.gz MNHQAKHLHVQXGD-UHFFFAOYSA-N 1 0 331.441 4.041 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@H](C2CC2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000593668230 1038123600 /nfs/dbraw/zinc/12/36/00/1038123600.db2.gz HYMRQHMIDASTKN-LJQANCHMSA-N 1 0 332.444 4.013 20 5 EIBDRO COCC1(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000574321594 1038168830 /nfs/dbraw/zinc/16/88/30/1038168830.db2.gz JSYAMIJSOLUNBF-UHFFFAOYSA-N 1 0 346.452 4.230 20 5 EIBDRO Cc1ccnc([C@@H]2CC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000594004974 1038186805 /nfs/dbraw/zinc/18/68/05/1038186805.db2.gz REHVRUYTECAMTD-JKSUJKDBSA-N 1 0 325.412 4.157 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1cccc([N+](=O)[O-])c1 ZINC000423447958 1038228864 /nfs/dbraw/zinc/22/88/64/1038228864.db2.gz PJRLXLQTPKWNFO-GOSISDBHSA-N 1 0 325.412 4.194 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C)cc(N)c1 ZINC000423488985 1038262059 /nfs/dbraw/zinc/26/20/59/1038262059.db2.gz ZTMAXWXFJNWOCP-MRXNPFEDSA-N 1 0 345.468 4.146 20 5 EIBDRO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCC(F)(F)CC1 ZINC000594044962 1038287642 /nfs/dbraw/zinc/28/76/42/1038287642.db2.gz VQDUMSYDDKGEAO-SECBINFHSA-N 1 0 334.313 4.177 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490056591 1038323787 /nfs/dbraw/zinc/32/37/87/1038323787.db2.gz PXYXSTSUQVJDED-RDJZCZTQSA-N 1 0 325.412 4.232 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1ccccn1 ZINC000594513600 1038359400 /nfs/dbraw/zinc/35/94/00/1038359400.db2.gz DQCLQCGQNNNHKU-LSDHHAIUSA-N 1 0 345.468 4.081 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000594710352 1038390687 /nfs/dbraw/zinc/39/06/87/1038390687.db2.gz IAGRCTZSSAQNDB-IAQYHMDHSA-N 1 0 346.349 4.136 20 5 EIBDRO CCOc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000594940367 1038504214 /nfs/dbraw/zinc/50/42/14/1038504214.db2.gz ATWQUILSYXZNEK-UHFFFAOYSA-N 1 0 328.412 4.327 20 5 EIBDRO COc1cccc([C@@H]2C[C@@H](C)CN2Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC001168424153 1038623036 /nfs/dbraw/zinc/62/30/36/1038623036.db2.gz UOUTWLLLPJGBOV-YJYMSZOUSA-N 1 0 344.386 4.326 20 5 EIBDRO COc1cccc([C@H]2C[C@H](C)CN2Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC001168424152 1038623314 /nfs/dbraw/zinc/62/33/14/1038623314.db2.gz UOUTWLLLPJGBOV-ORAYPTAESA-N 1 0 344.386 4.326 20 5 EIBDRO CCN(CC)[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000480764495 1038787057 /nfs/dbraw/zinc/78/70/57/1038787057.db2.gz BCFQRHNFBATWDV-KBXCAEBGSA-N 1 0 347.484 4.390 20 5 EIBDRO CCN(CC)[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000480764498 1038787088 /nfs/dbraw/zinc/78/70/88/1038787088.db2.gz BCFQRHNFBATWDV-RDTXWAMCSA-N 1 0 347.484 4.390 20 5 EIBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000063738875 1038804519 /nfs/dbraw/zinc/80/45/19/1038804519.db2.gz NEFQKAWZYURGKK-GFCCVEGCSA-N 1 0 345.365 4.146 20 5 EIBDRO COc1ccc([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000539083105 1038815558 /nfs/dbraw/zinc/81/55/58/1038815558.db2.gz GPLYRWKYRVOXFH-HNNXBMFYSA-N 1 0 328.412 4.277 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CCCNc2ccccc2)cc1[N+](=O)[O-] ZINC000504900390 1038834991 /nfs/dbraw/zinc/83/49/91/1038834991.db2.gz XDBUQOOVVAHVCC-HNNXBMFYSA-N 1 0 343.427 4.146 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000504900288 1038835577 /nfs/dbraw/zinc/83/55/77/1038835577.db2.gz VGZIDZNLDGYKQN-QWHCGFSZSA-N 1 0 334.441 4.337 20 5 EIBDRO Cc1cc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461935716 1038838459 /nfs/dbraw/zinc/83/84/59/1038838459.db2.gz KQBJPGONPVGCEV-KBPBESRZSA-N 1 0 335.423 4.107 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@@H]1OC ZINC000504896501 1038841246 /nfs/dbraw/zinc/84/12/46/1038841246.db2.gz YHAINJVYSWHBHO-FMKPAKJESA-N 1 0 338.473 4.013 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000539266463 1038905085 /nfs/dbraw/zinc/90/50/85/1038905085.db2.gz AXBPXUWDLPGWHC-AWEZNQCLSA-N 1 0 344.411 4.161 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000539269089 1038905249 /nfs/dbraw/zinc/90/52/49/1038905249.db2.gz QSBTUSWQFUUGNX-KGLIPLIRSA-N 1 0 344.411 4.414 20 5 EIBDRO C[C@@H]1CC[C@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000481171055 1039064359 /nfs/dbraw/zinc/06/43/59/1039064359.db2.gz PKGWXEJRIGAWRO-XNJGSVPQSA-N 1 0 329.400 4.164 20 5 EIBDRO C[C@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000477945720 1039252127 /nfs/dbraw/zinc/25/21/27/1039252127.db2.gz YOQFNCWRYIXBGN-POZUXBRTSA-N 1 0 326.396 4.023 20 5 EIBDRO COC1CCC([N@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000552242290 1039308791 /nfs/dbraw/zinc/30/87/91/1039308791.db2.gz IIYQZANCAAETIQ-UHFFFAOYSA-N 1 0 344.411 4.244 20 5 EIBDRO CC[C@@H]1CCCCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000537635906 1039364380 /nfs/dbraw/zinc/36/43/80/1039364380.db2.gz FKCZTCWDVCSZEE-QGZVFWFLSA-N 1 0 342.443 4.150 20 5 EIBDRO COC[C@H](C)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000481425544 1039397924 /nfs/dbraw/zinc/39/79/24/1039397924.db2.gz PFWJHELEJMEBPV-OLZOCXBDSA-N 1 0 334.441 4.256 20 5 EIBDRO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2cccnc21 ZINC000481416051 1039403560 /nfs/dbraw/zinc/40/35/60/1039403560.db2.gz GYKNRAAWCKWUST-GOSISDBHSA-N 1 0 325.412 4.279 20 5 EIBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000481476459 1039485085 /nfs/dbraw/zinc/48/50/85/1039485085.db2.gz ACQYNTBESXTGAL-PXAZEXFGSA-N 1 0 334.803 4.114 20 5 EIBDRO COc1ccc(OCCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000481572093 1039589022 /nfs/dbraw/zinc/58/90/22/1039589022.db2.gz MTLKQPHFOYGGMY-HNNXBMFYSA-N 1 0 344.411 4.032 20 5 EIBDRO CO[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000514137002 1039662647 /nfs/dbraw/zinc/66/26/47/1039662647.db2.gz CCGNEURZYMLNLS-PXAZEXFGSA-N 1 0 334.803 4.287 20 5 EIBDRO CC[C@@H](C)c1ccc([C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C(C)C)cc1 ZINC000476666398 1039831027 /nfs/dbraw/zinc/83/10/27/1039831027.db2.gz VSBATCSCUNJMII-KDOFPFPSSA-N 1 0 344.459 4.329 20 5 EIBDRO COCc1ccccc1/C=C(\C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000510014469 1039851253 /nfs/dbraw/zinc/85/12/53/1039851253.db2.gz NZEJUPFZCGUTDC-SFKKXYGYSA-N 1 0 340.423 4.495 20 5 EIBDRO C[N@H+](CCCCc1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434836041 1039880852 /nfs/dbraw/zinc/88/08/52/1039880852.db2.gz JGEYTCBKFFDYFD-UHFFFAOYSA-N 1 0 339.395 4.191 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+]C(C)(C)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000535022494 1039888636 /nfs/dbraw/zinc/88/86/36/1039888636.db2.gz PCKVWUVGEHUSCA-UHFFFAOYSA-N 1 0 330.384 4.142 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000192707542 1040262668 /nfs/dbraw/zinc/26/26/68/1040262668.db2.gz BIFZIEJJSSLCHO-OLZOCXBDSA-N 1 0 330.384 4.024 20 5 EIBDRO COc1ccc(Cl)cc1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000482514320 1040310520 /nfs/dbraw/zinc/31/05/20/1040310520.db2.gz SGGCEIAPHDYBBF-LBPRGKRZSA-N 1 0 334.803 4.150 20 5 EIBDRO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000482517581 1040314422 /nfs/dbraw/zinc/31/44/22/1040314422.db2.gz ZSVQUNJOXIGPFU-OWOXYTMYSA-N 1 0 328.334 4.271 20 5 EIBDRO Cc1ccc(C[NH+]2CCC(OCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000122163178 1040331094 /nfs/dbraw/zinc/33/10/94/1040331094.db2.gz COPPFPXXTAHRDD-UHFFFAOYSA-N 1 0 340.423 4.084 20 5 EIBDRO CCOc1ccccc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192715862 1040338418 /nfs/dbraw/zinc/33/84/18/1040338418.db2.gz UUEOQHIFDUJJFB-GOSISDBHSA-N 1 0 326.396 4.161 20 5 EIBDRO COC1CCC(C)(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000479456986 1040365460 /nfs/dbraw/zinc/36/54/60/1040365460.db2.gz XCWOUXCQTNUBAX-FDYSRKEFSA-N 1 0 346.471 4.101 20 5 EIBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000325480220 1040467076 /nfs/dbraw/zinc/46/70/76/1040467076.db2.gz VUTOSEOSDXTXON-CQSZACIVSA-N 1 0 330.432 4.065 20 5 EIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(F)(F)F ZINC000479604347 1040505538 /nfs/dbraw/zinc/50/55/38/1040505538.db2.gz TVSYTDSAMSNSEQ-JTQLQIEISA-N 1 0 328.290 4.143 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3C3CCC3)co2)cc1 ZINC000089892801 1040515252 /nfs/dbraw/zinc/51/52/52/1040515252.db2.gz MRNHJYIRLMFUPF-QGZVFWFLSA-N 1 0 327.384 4.014 20 5 EIBDRO Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000443213144 1040756716 /nfs/dbraw/zinc/75/67/16/1040756716.db2.gz GHRPOSPOPJEOCD-YRNRMSPPSA-N 1 0 341.455 4.245 20 5 EIBDRO CSC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539849635 1040838471 /nfs/dbraw/zinc/83/84/71/1040838471.db2.gz IGMZMGCTCUWUBM-HNNXBMFYSA-N 1 0 332.425 4.182 20 5 EIBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C12CCC2 ZINC000462755024 1040890588 /nfs/dbraw/zinc/89/05/88/1040890588.db2.gz SKFQZKZGUCMQCV-ROUUACIJSA-N 1 0 332.444 4.156 20 5 EIBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCc3cc(F)ccc32)cc([N+](=O)[O-])c1 ZINC000903083816 1040895866 /nfs/dbraw/zinc/89/58/66/1040895866.db2.gz OGERTLHISHDBMY-BBATYDOGSA-N 1 0 330.359 4.081 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000537991376 1040967726 /nfs/dbraw/zinc/96/77/26/1040967726.db2.gz NDJPWVPQFVBUIE-KBPBESRZSA-N 1 0 344.411 4.414 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000903289287 1041011109 /nfs/dbraw/zinc/01/11/09/1041011109.db2.gz RTPIPMOFVWFQMI-KGLIPLIRSA-N 1 0 342.395 4.168 20 5 EIBDRO C[C@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000436286760 1041037182 /nfs/dbraw/zinc/03/71/82/1041037182.db2.gz BBWJVWFBDSZYNO-HNAYVOBHSA-N 1 0 331.460 4.043 20 5 EIBDRO CC(C)[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCOC1 ZINC000462869228 1041048765 /nfs/dbraw/zinc/04/87/65/1041048765.db2.gz FHSXFSSYISPDSG-AWEZNQCLSA-N 1 0 346.452 4.323 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)C1CC1 ZINC000436292619 1041057453 /nfs/dbraw/zinc/05/74/53/1041057453.db2.gz TUHVNQOSQYPTOS-VAMGGRTRSA-N 1 0 336.435 4.452 20 5 EIBDRO CC(C)[C@H](CO)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000554372512 1041058198 /nfs/dbraw/zinc/05/81/98/1041058198.db2.gz MSMAWPUUVDSWBC-KGLIPLIRSA-N 1 0 348.468 4.238 20 5 EIBDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000540066608 1041070913 /nfs/dbraw/zinc/07/09/13/1041070913.db2.gz MHYPWFDNAZFVSE-BEFAXECRSA-N 1 0 344.411 4.148 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000436304415 1041074009 /nfs/dbraw/zinc/07/40/09/1041074009.db2.gz DTSQUKDAWYDQJP-QGZVFWFLSA-N 1 0 327.359 4.456 20 5 EIBDRO COc1cc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)ccc1C ZINC000484147514 1041136143 /nfs/dbraw/zinc/13/61/43/1041136143.db2.gz QDFDTMXFBXHZOW-HNNXBMFYSA-N 1 0 328.412 4.114 20 5 EIBDRO CCC[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000540153792 1041201214 /nfs/dbraw/zinc/20/12/14/1041201214.db2.gz ISRUPALSVZMNDD-PMACEKPBSA-N 1 0 339.439 4.212 20 5 EIBDRO CCC[C@H]([NH2+]Cc1ccccc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000540170625 1041215298 /nfs/dbraw/zinc/21/52/98/1041215298.db2.gz MELIOOIZWNPZMD-SFHVURJKSA-N 1 0 327.428 4.292 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cnc2ccccc2c1)C1CC1 ZINC000540173533 1041218859 /nfs/dbraw/zinc/21/88/59/1041218859.db2.gz IJEZZRIJIBDDLP-HXUWFJFHSA-N 1 0 347.418 4.254 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000540163748 1041226321 /nfs/dbraw/zinc/22/63/21/1041226321.db2.gz JJDWDUBJYNKNFJ-VFVRVIDISA-N 1 0 332.375 4.161 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540164856 1041227500 /nfs/dbraw/zinc/22/75/00/1041227500.db2.gz OIZHLYJMEOMAFC-KSMMKXTCSA-N 1 0 346.402 4.469 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000540189167 1041233234 /nfs/dbraw/zinc/23/32/34/1041233234.db2.gz YGVOOTFBPGJYCZ-QWHCGFSZSA-N 1 0 334.803 4.366 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCCC23CCCC3)c2c(c1)COCO2 ZINC000463038897 1041263399 /nfs/dbraw/zinc/26/33/99/1041263399.db2.gz ZUDGIKOWODJYIP-KRWDZBQOSA-N 1 0 346.427 4.054 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1cc(F)ccc1F)C1CC1 ZINC000484477689 1041271242 /nfs/dbraw/zinc/27/12/42/1041271242.db2.gz YHMXXMDNEHMFNH-GOSISDBHSA-N 1 0 346.377 4.026 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000036919675 1041405178 /nfs/dbraw/zinc/40/51/78/1041405178.db2.gz OIROBBXNVGZKGV-LLVKDONJSA-N 1 0 335.201 4.208 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505875178 1041457841 /nfs/dbraw/zinc/45/78/41/1041457841.db2.gz STBZYPJRBOGAES-DLBZAZTESA-N 1 0 340.423 4.365 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505875180 1041458104 /nfs/dbraw/zinc/45/81/04/1041458104.db2.gz STBZYPJRBOGAES-IRXDYDNUSA-N 1 0 340.423 4.365 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]C2(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000480672255 1041465491 /nfs/dbraw/zinc/46/54/91/1041465491.db2.gz SDBQJWFKGGDAHP-OAHLLOKOSA-N 1 0 340.423 4.419 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C[NH+](C)C)c1 ZINC000924798473 1041489826 /nfs/dbraw/zinc/48/98/26/1041489826.db2.gz OAFBBUAOVYQVGB-GJZGRUSLSA-N 1 0 327.428 4.068 20 5 EIBDRO Cc1c([C@H](C)Nc2cccc(OCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000540840772 1041697212 /nfs/dbraw/zinc/69/72/12/1041697212.db2.gz QFFUHXJRSHOPLP-HNNXBMFYSA-N 1 0 343.427 4.017 20 5 EIBDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)c1 ZINC000152964050 1041779152 /nfs/dbraw/zinc/77/91/52/1041779152.db2.gz PJHPTHIAPASINQ-AWEZNQCLSA-N 1 0 344.411 4.243 20 5 EIBDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541069880 1041803352 /nfs/dbraw/zinc/80/33/52/1041803352.db2.gz SWGHBKOCGUDKOQ-LBPRGKRZSA-N 1 0 334.803 4.017 20 5 EIBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000460351950 1041816586 /nfs/dbraw/zinc/81/65/86/1041816586.db2.gz BLPSPJRPXZPCAK-CJNGLKHVSA-N 1 0 344.415 4.093 20 5 EIBDRO CCC[C@H](N[C@@H](c1ccccc1F)[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000517035865 1041844851 /nfs/dbraw/zinc/84/48/51/1041844851.db2.gz RJYOVNOQTVDPRV-ZNZDAUKMSA-N 1 0 346.402 4.287 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]CCCNc2ccccc2F)cc1[N+](=O)[O-] ZINC000541558929 1042000423 /nfs/dbraw/zinc/00/04/23/1042000423.db2.gz WDWMUNQJOWJANU-AWEZNQCLSA-N 1 0 331.391 4.195 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]CCCNc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000541558001 1042012930 /nfs/dbraw/zinc/01/29/30/1042012930.db2.gz FTBRYAFDNZDGNO-CQSZACIVSA-N 1 0 331.391 4.195 20 5 EIBDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000506178223 1042059943 /nfs/dbraw/zinc/05/99/43/1042059943.db2.gz IRDPFZZAMHZLDR-RDTXWAMCSA-N 1 0 342.443 4.006 20 5 EIBDRO COc1ccc(CC(C)(C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000438343299 1042144936 /nfs/dbraw/zinc/14/49/36/1042144936.db2.gz WWRHNUQLXGJYDE-UHFFFAOYSA-N 1 0 328.412 4.023 20 5 EIBDRO CC(C)C(C)(C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000438362940 1042150599 /nfs/dbraw/zinc/15/05/99/1042150599.db2.gz FRQRDBZWOBFEDL-UHFFFAOYSA-N 1 0 333.457 4.490 20 5 EIBDRO CCC[C@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000426000307 1042167531 /nfs/dbraw/zinc/16/75/31/1042167531.db2.gz HDQCSUIZXJBQFK-QGZVFWFLSA-N 1 0 342.443 4.012 20 5 EIBDRO C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC000464850631 1042197057 /nfs/dbraw/zinc/19/70/57/1042197057.db2.gz IMVDIPQBGWXDER-WMLDXEAASA-N 1 0 330.384 4.040 20 5 EIBDRO COc1cccc2c1CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000426058133 1042233062 /nfs/dbraw/zinc/23/30/62/1042233062.db2.gz ABEQDYUAYPSIMZ-PBHICJAKSA-N 1 0 340.423 4.120 20 5 EIBDRO CCOc1cccc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000517962503 1042293408 /nfs/dbraw/zinc/29/34/08/1042293408.db2.gz XZPOTMBRRZEXCZ-ACJLOTCBSA-N 1 0 326.396 4.332 20 5 EIBDRO CC(C)COCCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491369404 1042435343 /nfs/dbraw/zinc/43/53/43/1042435343.db2.gz UHQFUBCDUVZBRR-HXUWFJFHSA-N 1 0 342.439 4.337 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000271843104 1042452073 /nfs/dbraw/zinc/45/20/73/1042452073.db2.gz WFGWYWPKKIICNG-CJNGLKHVSA-N 1 0 344.411 4.414 20 5 EIBDRO COc1ccc([C@@H](C)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000492039369 1042541879 /nfs/dbraw/zinc/54/18/79/1042541879.db2.gz CJKCMQQJGRCBPG-AWEZNQCLSA-N 1 0 328.412 4.232 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)[C@H]1OCCc2sccc21)c1cccc([N+](=O)[O-])c1 ZINC000426310862 1042546091 /nfs/dbraw/zinc/54/60/91/1042546091.db2.gz OTCIELBVJQNASQ-PZPSRYQVSA-N 1 0 346.452 4.400 20 5 EIBDRO CCC(CC)[C@@H](O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000492102529 1042556299 /nfs/dbraw/zinc/55/62/99/1042556299.db2.gz ZMURCOJWYUWPHD-VQTJNVASSA-N 1 0 342.439 4.071 20 5 EIBDRO CCOc1cc(C[N@H+](C)[C@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000492460713 1042664681 /nfs/dbraw/zinc/66/46/81/1042664681.db2.gz IWANTWILZUJNNW-KRWDZBQOSA-N 1 0 326.396 4.113 20 5 EIBDRO CCOc1cccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OCC)c2)c1 ZINC000492606248 1042707676 /nfs/dbraw/zinc/70/76/76/1042707676.db2.gz JJBSSYLDFHWURR-AWEZNQCLSA-N 1 0 344.411 4.243 20 5 EIBDRO COc1ccccc1[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493076409 1042811024 /nfs/dbraw/zinc/81/10/24/1042811024.db2.gz HEVXSNYXXZRPEY-ZDUSSCGKSA-N 1 0 346.814 4.246 20 5 EIBDRO CCS[C@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761527278 1042875780 /nfs/dbraw/zinc/87/57/80/1042875780.db2.gz REWXTMCNUSJQLR-STQMWFEESA-N 1 0 328.865 4.402 20 5 EIBDRO COc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000129595732 1043032820 /nfs/dbraw/zinc/03/28/20/1043032820.db2.gz GQNHCTSNLBMNIO-DZGCQCFKSA-N 1 0 344.411 4.030 20 5 EIBDRO CC[C@@](C)([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000254998915 1043213384 /nfs/dbraw/zinc/21/33/84/1043213384.db2.gz TTXKTZRSCIWALO-NBEHIINDSA-N 1 0 331.441 4.288 20 5 EIBDRO CCC[C@H]([NH2+][C@@H]1CCCc2nc(C)ncc21)c1cccc([N+](=O)[O-])c1 ZINC000766045165 1043222141 /nfs/dbraw/zinc/22/21/41/1043222141.db2.gz RUERLENMLHFOFD-PKOBYXMFSA-N 1 0 340.427 4.202 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000427960570 1043268482 /nfs/dbraw/zinc/26/84/82/1043268482.db2.gz VEQYDKXVAKGALT-NOLJZWGESA-N 1 0 346.452 4.277 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCOc3ccccc32)cc1[N+](=O)[O-] ZINC000133537110 1043273283 /nfs/dbraw/zinc/27/32/83/1043273283.db2.gz OOTPPXBAGDFKSW-YOEHRIQHSA-N 1 0 326.396 4.468 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCOc3ccccc32)cccc1[N+](=O)[O-] ZINC000133566669 1043276324 /nfs/dbraw/zinc/27/63/24/1043276324.db2.gz VMQSHLHFIOKXEL-YOEHRIQHSA-N 1 0 326.396 4.468 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1c(C)nn(C)c1C ZINC000133754561 1043300731 /nfs/dbraw/zinc/30/07/31/1043300731.db2.gz OFKXGVBLSMKHRI-LRDDRELGSA-N 1 0 330.432 4.055 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]C[C@H](c2cccnc2)C(C)C)cccc1[N+](=O)[O-] ZINC000164159505 1043303718 /nfs/dbraw/zinc/30/37/18/1043303718.db2.gz TUPGLWJCNPWAFN-QAPCUYQASA-N 1 0 327.428 4.389 20 5 EIBDRO COCC[C@H]1CCCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000466616806 1043337288 /nfs/dbraw/zinc/33/72/88/1043337288.db2.gz GFEBEMJGKXITLK-OAHLLOKOSA-N 1 0 343.427 4.094 20 5 EIBDRO C[C@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)c1cccc([N+](=O)[O-])c1 ZINC000078005849 1043445898 /nfs/dbraw/zinc/44/58/98/1043445898.db2.gz MUYGOLFACYWBJD-ZDUSSCGKSA-N 1 0 326.396 4.159 20 5 EIBDRO Cc1nc(C)c([C@H](C)[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])s1 ZINC000255417591 1043469564 /nfs/dbraw/zinc/46/95/64/1043469564.db2.gz LGNGVWOBHYHUGD-JWJUJFCLSA-N 1 0 331.441 4.374 20 5 EIBDRO C[C@@H](CCC(F)(F)F)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494520979 1043547053 /nfs/dbraw/zinc/54/70/53/1043547053.db2.gz CIGPOOWAAQMEAL-QMMMGPOBSA-N 1 0 344.255 4.434 20 5 EIBDRO CSc1ccccc1C[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000543074332 1043743364 /nfs/dbraw/zinc/74/33/64/1043743364.db2.gz NMGUSGVOZKVBIR-AWEZNQCLSA-N 1 0 330.453 4.080 20 5 EIBDRO CO[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@H](C)C1 ZINC000443063645 1043983994 /nfs/dbraw/zinc/98/39/94/1043983994.db2.gz DLCYPOCNFNAOAV-CJNGLKHVSA-N 1 0 346.452 4.323 20 5 EIBDRO CC(C)c1ccc(CN(C)Cc2cnc(C(C)C)nc2)cc1[N+](=O)[O-] ZINC000443066079 1043985467 /nfs/dbraw/zinc/98/54/67/1043985467.db2.gz IXKJXHWOIDSFCE-UHFFFAOYSA-N 1 0 342.443 4.264 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2c(Cl)cccc2Cl)c1 ZINC000521814433 1043992632 /nfs/dbraw/zinc/99/26/32/1043992632.db2.gz BJCCVNKTTCUUJI-UHFFFAOYSA-N 1 0 325.195 4.234 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)C[C@@H](O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000245658563 1044059769 /nfs/dbraw/zinc/05/97/69/1044059769.db2.gz GTRVHHDFOKCNSR-UHOFOFEASA-N 1 0 334.441 4.209 20 5 EIBDRO COc1ccc2cc(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)ccc2c1 ZINC000237285102 1044478719 /nfs/dbraw/zinc/47/87/19/1044478719.db2.gz ALJCGMGDMAQPOO-UHFFFAOYSA-N 1 0 336.391 4.355 20 5 EIBDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000766208894 1044485531 /nfs/dbraw/zinc/48/55/31/1044485531.db2.gz ADKNROIVSRZODY-LBPRGKRZSA-N 1 0 334.803 4.017 20 5 EIBDRO CCC[C@H](NCc1nccn1CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000164808753 1044510448 /nfs/dbraw/zinc/51/04/48/1044510448.db2.gz CBIUAJTVJQTLNG-KRWDZBQOSA-N 1 0 330.432 4.078 20 5 EIBDRO Cc1ccc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000766210355 1044552322 /nfs/dbraw/zinc/55/23/22/1044552322.db2.gz DZYPVGYTBYLRQR-SJLPKXTDSA-N 1 0 339.439 4.223 20 5 EIBDRO Cc1c([C@H](C)[NH2+]CCCNc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000543415855 1044566187 /nfs/dbraw/zinc/56/61/87/1044566187.db2.gz DPEXUHRKJVEGRE-AWEZNQCLSA-N 1 0 331.391 4.195 20 5 EIBDRO Cc1ccc(C[NH2+][C@H](c2ccccc2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000734509534 1044592572 /nfs/dbraw/zinc/59/25/72/1044592572.db2.gz QPVZXDQGGVDQBA-HXUWFJFHSA-N 1 0 340.423 4.161 20 5 EIBDRO CCc1ccc([C@@H]([NH2+]C[C@@H]2CCCS2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544359267 1044624257 /nfs/dbraw/zinc/62/42/57/1044624257.db2.gz HOZSXVDBFJWZPX-WMZOPIPTSA-N 1 0 346.452 4.325 20 5 EIBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H](c1ccccn1)C(F)(F)F ZINC001168479486 1044741466 /nfs/dbraw/zinc/74/14/66/1044741466.db2.gz NTFKUYVBGCILNC-KRWDZBQOSA-N 1 0 338.397 4.393 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000170651109 1044817469 /nfs/dbraw/zinc/81/74/69/1044817469.db2.gz QVJFAPWPDMZVGU-AWEZNQCLSA-N 1 0 343.402 4.371 20 5 EIBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)COCc1ccccc1 ZINC000389938916 1044846372 /nfs/dbraw/zinc/84/63/72/1044846372.db2.gz OYBASLFJLSOMEB-HOTGVXAUSA-N 1 0 328.412 4.098 20 5 EIBDRO C[C@H](CCOCc1ccccc1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000389933663 1044846563 /nfs/dbraw/zinc/84/65/63/1044846563.db2.gz GQTGDRJWBBQOFE-HZPDHXFCSA-N 1 0 328.412 4.241 20 5 EIBDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000736627155 1044961029 /nfs/dbraw/zinc/96/10/29/1044961029.db2.gz CLFIXOWMOIREBE-OCCSQVGLSA-N 1 0 332.350 4.251 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](CCOC)c1ccc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000272258139 1044980243 /nfs/dbraw/zinc/98/02/43/1044980243.db2.gz AIXSRNOIUHTEKM-SJORKVTESA-N 1 0 332.400 4.315 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000922846423 1044992019 /nfs/dbraw/zinc/99/20/19/1044992019.db2.gz UWPJXCHYZLGHPE-CYBMUJFWSA-N 1 0 326.849 4.156 20 5 EIBDRO C[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1Cl ZINC000509346044 1044992500 /nfs/dbraw/zinc/99/25/00/1044992500.db2.gz UVGPKNVKMFFBQP-VIFPVBQESA-N 1 0 326.730 4.377 20 5 EIBDRO Cc1cc(N[C@H]2CCOC3(CCCC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302078362 1045159111 /nfs/dbraw/zinc/15/91/11/1045159111.db2.gz KKSMBXUDQXADAS-AWEZNQCLSA-N 1 0 341.411 4.355 20 5 EIBDRO CC(C)[NH+]1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302237430 1045169724 /nfs/dbraw/zinc/16/97/24/1045169724.db2.gz KNIGUNVLMLKDDS-UHFFFAOYSA-N 1 0 332.231 4.186 20 5 EIBDRO COCc1ccccc1CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302211941 1045169954 /nfs/dbraw/zinc/16/99/54/1045169954.db2.gz YVVGLKBTZCEELG-UHFFFAOYSA-N 1 0 337.379 4.210 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCc1ccc2ccccc2n1 ZINC000740004536 1045174197 /nfs/dbraw/zinc/17/41/97/1045174197.db2.gz PBQLUAMLISMYGH-UHFFFAOYSA-N 1 0 341.798 4.129 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000162284907 1045244263 /nfs/dbraw/zinc/24/42/63/1045244263.db2.gz UAKIGRFNFPFYMJ-OLZOCXBDSA-N 1 0 332.375 4.463 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)c1ccncc1 ZINC000611248615 1045266523 /nfs/dbraw/zinc/26/65/23/1045266523.db2.gz KUVPOKDGVKONIB-ZBFHGGJFSA-N 1 0 345.468 4.254 20 5 EIBDRO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@H]1CCOC1 ZINC000611256610 1045269670 /nfs/dbraw/zinc/26/96/70/1045269670.db2.gz JPRQUJMDDPAZGT-CQSZACIVSA-N 1 0 346.452 4.182 20 5 EIBDRO C[N@H+](CCOC(C)(C)C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000611274767 1045272173 /nfs/dbraw/zinc/27/21/73/1045272173.db2.gz ZFELRIDVCTURLV-UHFFFAOYSA-N 1 0 332.400 4.102 20 5 EIBDRO C[C@H]([NH2+][C@H](CO)CC1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000611337416 1045280750 /nfs/dbraw/zinc/28/07/50/1045280750.db2.gz BXVXGBQPWGPOLT-JSGCOSHPSA-N 1 0 346.452 4.135 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000611336767 1045282960 /nfs/dbraw/zinc/28/29/60/1045282960.db2.gz DUXWIKJNNHSHRW-CRAIPNDOSA-N 1 0 334.460 4.101 20 5 EIBDRO CO[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000611336751 1045283019 /nfs/dbraw/zinc/28/30/19/1045283019.db2.gz BTMRIVFVSZOLFQ-SJKOYZFVSA-N 1 0 334.803 4.287 20 5 EIBDRO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000611516768 1045320813 /nfs/dbraw/zinc/32/08/13/1045320813.db2.gz WDUSORJMHCZAKJ-HOTGVXAUSA-N 1 0 348.443 4.020 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(c2cccnc2)CC1 ZINC000611516905 1045321232 /nfs/dbraw/zinc/32/12/32/1045321232.db2.gz WFGGKCRIUPDJTR-HNNXBMFYSA-N 1 0 325.412 4.239 20 5 EIBDRO COc1cc(C[NH2+][C@@H](CC2CC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000611517020 1045321437 /nfs/dbraw/zinc/32/14/37/1045321437.db2.gz DVCAIUJCAAQMIA-KRWDZBQOSA-N 1 0 326.396 4.234 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc(OC3CCCC3)c2)cc1 ZINC000609222345 1045416866 /nfs/dbraw/zinc/41/68/66/1045416866.db2.gz DMCXVZJNDBLAFW-UHFFFAOYSA-N 1 0 340.423 4.249 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@@H](SC)C1 ZINC000768100916 1045715605 /nfs/dbraw/zinc/71/56/05/1045715605.db2.gz AEAIDBWXAXWXEF-MGPQQGTHSA-N 1 0 340.514 4.339 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccccc1-n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000194374958 1045727929 /nfs/dbraw/zinc/72/79/29/1045727929.db2.gz CURCYBIRFPMGEY-SFHVURJKSA-N 1 0 336.395 4.021 20 5 EIBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)COC2 ZINC000768337700 1045791744 /nfs/dbraw/zinc/79/17/44/1045791744.db2.gz LEQVHPAJJNOOMF-UHFFFAOYSA-N 1 0 326.396 4.036 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)c2c(C)noc2C)cc1[N+](=O)[O-] ZINC000090762814 1045817164 /nfs/dbraw/zinc/81/71/64/1045817164.db2.gz OFZDPIUTBNUGIB-NEPJUHHUSA-N 1 0 347.415 4.053 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)c2c(C)noc2C)cc1[N+](=O)[O-] ZINC000090762815 1045817941 /nfs/dbraw/zinc/81/79/41/1045817941.db2.gz OFZDPIUTBNUGIB-NWDGAFQWSA-N 1 0 347.415 4.053 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccccc2F)c([N+](=O)[O-])c1 ZINC001170297757 1045982898 /nfs/dbraw/zinc/98/28/98/1045982898.db2.gz RLNMCISOJKJRNN-STQMWFEESA-N 1 0 332.375 4.024 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCc3ccc(C)cc32)c([N+](=O)[O-])c1 ZINC001170305845 1045983900 /nfs/dbraw/zinc/98/39/00/1045983900.db2.gz QQRARCSETBUKLS-AUUYWEPGSA-N 1 0 340.423 4.120 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2C)c([N+](=O)[O-])c1 ZINC001170319222 1045996039 /nfs/dbraw/zinc/99/60/39/1045996039.db2.gz VLUCPFVBDSIZOF-KBPBESRZSA-N 1 0 346.402 4.333 20 5 EIBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC001170347165 1046021971 /nfs/dbraw/zinc/02/19/71/1046021971.db2.gz QYRVBLAPXDIHTG-BBRMVZONSA-N 1 0 346.452 4.433 20 5 EIBDRO COc1ccc(C[C@H](C)[N@H+](C)CCc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001170348555 1046022471 /nfs/dbraw/zinc/02/24/71/1046022471.db2.gz YKJHQOUBTXTIHN-INIZCTEOSA-N 1 0 342.439 4.017 20 5 EIBDRO C[C@H]([NH2+]C1(CNc2ccc([N+](=O)[O-])cn2)CCCC1)c1ccccc1 ZINC000301156224 1046068502 /nfs/dbraw/zinc/06/85/02/1046068502.db2.gz BUPRQADAPDNFRQ-HNNXBMFYSA-N 1 0 340.427 4.065 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CC2CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000792876693 1046090026 /nfs/dbraw/zinc/09/00/26/1046090026.db2.gz PCDRXTFWMISOFF-KRWDZBQOSA-N 1 0 341.367 4.134 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792911380 1046104648 /nfs/dbraw/zinc/10/46/48/1046104648.db2.gz XBOWPQKWGOMALE-DDTOSNHZSA-N 1 0 329.227 4.172 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792914821 1046106817 /nfs/dbraw/zinc/10/68/17/1046106817.db2.gz XURYUQGBDIBTFZ-HONMWMINSA-N 1 0 329.227 4.172 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000130313239 1046280329 /nfs/dbraw/zinc/28/03/29/1046280329.db2.gz ITOREVAAXJIANJ-NZSAHSFTSA-N 1 0 339.439 4.442 20 5 EIBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000152535142 1046288015 /nfs/dbraw/zinc/28/80/15/1046288015.db2.gz XYJGKHRQRBWPOQ-IRXDYDNUSA-N 1 0 339.439 4.080 20 5 EIBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000536659977 1046629318 /nfs/dbraw/zinc/62/93/18/1046629318.db2.gz QNQDMKRBRJGWBH-DOTOQJQBSA-N 1 0 333.476 4.023 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC(C(F)F)CC3)o2)c1 ZINC000536678398 1046664951 /nfs/dbraw/zinc/66/49/51/1046664951.db2.gz XCHYASMDCQIEAL-UHFFFAOYSA-N 1 0 336.338 4.332 20 5 EIBDRO CCc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000536861263 1046830086 /nfs/dbraw/zinc/83/00/86/1046830086.db2.gz CMTNGAVVUWMIFV-FZKQIMNGSA-N 1 0 326.396 4.332 20 5 EIBDRO CC(C)n1cc([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000536872828 1046835644 /nfs/dbraw/zinc/83/56/44/1046835644.db2.gz XGTBORBOWUCCNG-OAHLLOKOSA-N 1 0 330.432 4.046 20 5 EIBDRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000536875217 1046838109 /nfs/dbraw/zinc/83/81/09/1046838109.db2.gz GIUPBQGQKLLOIF-KFWWJZLASA-N 1 0 328.412 4.446 20 5 EIBDRO C[C@]1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC=CCC1 ZINC000459748786 1046872029 /nfs/dbraw/zinc/87/20/29/1046872029.db2.gz ICHXRJHXNWNRDS-KRWDZBQOSA-N 1 0 329.425 4.307 20 5 EIBDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000786860425 1046875955 /nfs/dbraw/zinc/87/59/55/1046875955.db2.gz IHWQQZDGGUXFMK-PXAZEXFGSA-N 1 0 334.803 4.114 20 5 EIBDRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000917484193 1046905036 /nfs/dbraw/zinc/90/50/36/1046905036.db2.gz WTJQYMLTHIJYKQ-GOSISDBHSA-N 1 0 336.395 4.048 20 5 EIBDRO C[N@@H+](Cc1cccc2ccccc21)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000917469158 1046909632 /nfs/dbraw/zinc/90/96/32/1046909632.db2.gz BEHKLMJXOJPRTN-UHFFFAOYSA-N 1 0 346.390 4.187 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000537087663 1046936989 /nfs/dbraw/zinc/93/69/89/1046936989.db2.gz BVGWCLSXRRDPMP-GJZGRUSLSA-N 1 0 336.395 4.192 20 5 EIBDRO CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H](O)c1ccc(C)cc1 ZINC000746672756 1046984256 /nfs/dbraw/zinc/98/42/56/1046984256.db2.gz IMFVBIHCYDFEGE-SFHVURJKSA-N 1 0 348.830 4.112 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2cc([N+](=O)[O-])ccc21 ZINC000788593603 1047240931 /nfs/dbraw/zinc/24/09/31/1047240931.db2.gz ZHXQUKFPLHSJPX-QGZVFWFLSA-N 1 0 341.367 4.015 20 5 EIBDRO Cc1oc2ccccc2c1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788752958 1047286810 /nfs/dbraw/zinc/28/68/10/1047286810.db2.gz YFVCHGBJPQYMEL-LLVKDONJSA-N 1 0 325.368 4.082 20 5 EIBDRO C[C@@H]([NH2+]CC1CC(c2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788816251 1047316294 /nfs/dbraw/zinc/31/62/94/1047316294.db2.gz FFGKVOFTKGPDPX-TUBUQKNSSA-N 1 0 325.412 4.021 20 5 EIBDRO CSc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788813379 1047326126 /nfs/dbraw/zinc/32/61/26/1047326126.db2.gz HCFFIRBVLSQHAP-NEPJUHHUSA-N 1 0 331.441 4.311 20 5 EIBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC1CCC([NH+]2CCCCC2)CC1 ZINC000807991852 1047565708 /nfs/dbraw/zinc/56/57/08/1047565708.db2.gz UUHKAWHPZRLELG-UHFFFAOYSA-N 1 0 345.443 4.006 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000609287648 1047694112 /nfs/dbraw/zinc/69/41/12/1047694112.db2.gz IDYMPSIMOFMHDT-ZWKOTPCHSA-N 1 0 340.423 4.419 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](C)c1nc2ccccc2s1 ZINC000089513277 1047763415 /nfs/dbraw/zinc/76/34/15/1047763415.db2.gz VOVFWBDMYOEPAJ-QWHCGFSZSA-N 1 0 341.436 4.486 20 5 EIBDRO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CCCO2 ZINC000089513274 1047788801 /nfs/dbraw/zinc/78/88/01/1047788801.db2.gz AHRZBAZOTPDLBL-GOSISDBHSA-N 1 0 326.396 4.215 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852855 1047882546 /nfs/dbraw/zinc/88/25/46/1047882546.db2.gz HCIOONDONFYMFB-ZWKOTPCHSA-N 1 0 345.487 4.100 20 5 EIBDRO OC[C@@H](C[NH2+]Cc1c2ccccc2cc2ccccc21)c1cccnc1 ZINC000808431595 1047945181 /nfs/dbraw/zinc/94/51/81/1047945181.db2.gz VSCOUJDZEVFZNX-HXUWFJFHSA-N 1 0 342.442 4.254 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCCN(C)Cc1ccco1 ZINC000556884585 1048100454 /nfs/dbraw/zinc/10/04/54/1048100454.db2.gz KCFMYYXPFAGFSS-MRXNPFEDSA-N 1 0 345.443 4.011 20 5 EIBDRO C[C@@H]([NH2+]Cc1cccc(-c2cccnc2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815617564 1048544710 /nfs/dbraw/zinc/54/47/10/1048544710.db2.gz PZFTWLKYIODUED-CQSZACIVSA-N 1 0 348.406 4.090 20 5 EIBDRO C[C@H]([NH2+]C[C@H](c1ccccc1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815630657 1048553180 /nfs/dbraw/zinc/55/31/80/1048553180.db2.gz RBLQATMVYOYWME-SUMWQHHRSA-N 1 0 325.412 4.021 20 5 EIBDRO O=C1C[C@H](C[NH2+]Cc2c3ccccc3cc3ccccc32)CN1C1CC1 ZINC000846076240 1048809305 /nfs/dbraw/zinc/80/93/05/1048809305.db2.gz HZNGKJCMVBVJGJ-MRXNPFEDSA-N 1 0 344.458 4.094 20 5 EIBDRO CCNC(=O)[C@@H](C)[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC000920957119 1048820390 /nfs/dbraw/zinc/82/03/90/1048820390.db2.gz ILYSLEVSYYGVEK-CYBMUJFWSA-N 1 0 340.854 4.261 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000846103224 1048821090 /nfs/dbraw/zinc/82/10/90/1048821090.db2.gz UJTUHWNWMCBGML-YIALFULDSA-N 1 0 329.227 4.172 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CCSC(C)(C)C)cc1[N+](=O)[O-] ZINC000772950238 1048887588 /nfs/dbraw/zinc/88/75/88/1048887588.db2.gz HDAOFLDMQWZNER-LBPRGKRZSA-N 1 0 326.462 4.176 20 5 EIBDRO C[C@@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCCS1 ZINC000811483309 1049079421 /nfs/dbraw/zinc/07/94/21/1049079421.db2.gz GUPGIMXRBAXTHE-ZDUSSCGKSA-N 1 0 335.256 4.277 20 5 EIBDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000811486768 1049081378 /nfs/dbraw/zinc/08/13/78/1049081378.db2.gz QAQOLSVLYZPXPN-OCCSQVGLSA-N 1 0 347.242 4.195 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCCSC1 ZINC000811507523 1049121703 /nfs/dbraw/zinc/12/17/03/1049121703.db2.gz FTKJFRJNJUOBHT-VIFPVBQESA-N 1 0 335.256 4.134 20 5 EIBDRO [NH3+]Cc1ccc2cn(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)nc2c1 ZINC001171323424 1049275897 /nfs/dbraw/zinc/27/58/97/1049275897.db2.gz LSRPMDPPIBYNJR-UHFFFAOYSA-N 1 0 344.374 4.059 20 5 EIBDRO Cc1ccc(C[NH2+]C[C@H](Nc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000609826012 1049346822 /nfs/dbraw/zinc/34/68/22/1049346822.db2.gz JHUVEEAQMGVPSL-SFHVURJKSA-N 1 0 327.428 4.130 20 5 EIBDRO Cc1c(C[NH+]2CCC(c3ccccc3F)CC2)cccc1[N+](=O)[O-] ZINC000609895285 1049388222 /nfs/dbraw/zinc/38/82/22/1049388222.db2.gz KOTBYOXPYWFELC-UHFFFAOYSA-N 1 0 328.387 4.422 20 5 EIBDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000609916157 1049395901 /nfs/dbraw/zinc/39/59/01/1049395901.db2.gz BMQUZKWSBIGQRI-OCCSQVGLSA-N 1 0 332.350 4.251 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000610009935 1049479170 /nfs/dbraw/zinc/47/91/70/1049479170.db2.gz GCEGEXBHPDIHPQ-ROUUACIJSA-N 1 0 340.423 4.104 20 5 EIBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)nc1 ZINC000773029334 1049539008 /nfs/dbraw/zinc/53/90/08/1049539008.db2.gz YCKJOBXIVSXTRS-CYBMUJFWSA-N 1 0 333.819 4.317 20 5 EIBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C1CCCCCC1 ZINC001177153032 1050155535 /nfs/dbraw/zinc/15/55/35/1050155535.db2.gz DNKPRNSKJKYELP-UHFFFAOYSA-N 1 0 327.222 4.170 20 5 EIBDRO CC[NH+](CC)CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC001185793677 1050164893 /nfs/dbraw/zinc/16/48/93/1050164893.db2.gz QGUQADHQHLQKNN-UHFFFAOYSA-N 1 0 345.418 4.082 20 5 EIBDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172898073 1050203756 /nfs/dbraw/zinc/20/37/56/1050203756.db2.gz GCWDQFWHMADGFI-KDOFPFPSSA-N 1 0 340.423 4.202 20 5 EIBDRO [NH3+]CCc1cc2ccccc2n1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904515 1050204505 /nfs/dbraw/zinc/20/45/05/1050204505.db2.gz XWUOXUWGBCXPBF-GOSISDBHSA-N 1 0 349.434 4.171 20 5 EIBDRO Cc1cc(F)cc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172902263 1050204851 /nfs/dbraw/zinc/20/48/51/1050204851.db2.gz WRIBPRUARSPGPR-GOSISDBHSA-N 1 0 328.387 4.080 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC(C(F)(F)F)CC1)CC2 ZINC001172904926 1050206585 /nfs/dbraw/zinc/20/65/85/1050206585.db2.gz PRGWMQGJFIHRSL-HNNXBMFYSA-N 1 0 342.361 4.117 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCc3cc(F)ccc31)CC2 ZINC001172904683 1050207243 /nfs/dbraw/zinc/20/72/43/1050207243.db2.gz ZRVUQRJWAMETSN-PXNSSMCTSA-N 1 0 340.398 4.258 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@@H]1c1ccncc1)CC2 ZINC001172915583 1050231932 /nfs/dbraw/zinc/23/19/32/1050231932.db2.gz PERJPAJYUCGKQJ-AZUAARDMSA-N 1 0 337.423 4.074 20 5 EIBDRO C[N@H+](CCc1cccc(F)c1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913895 1050232235 /nfs/dbraw/zinc/23/22/35/1050232235.db2.gz VNHXRFBUSVYVJI-LJQANCHMSA-N 1 0 342.414 4.156 20 5 EIBDRO C[N@H+](CCc1cccs1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172915137 1050232662 /nfs/dbraw/zinc/23/26/62/1050232662.db2.gz LQCSSDHGTRJDDZ-INIZCTEOSA-N 1 0 330.453 4.078 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@H]1c1cccnc1)CC2 ZINC001172910383 1050245588 /nfs/dbraw/zinc/24/55/88/1050245588.db2.gz YJKFXNMIFUTZED-UYAOXDASSA-N 1 0 337.423 4.074 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+](Cc1ccco1)C1CC1)CC2 ZINC001172912490 1050246781 /nfs/dbraw/zinc/24/67/81/1050246781.db2.gz AHOHWOBHWFNHMO-MRXNPFEDSA-N 1 0 326.396 4.100 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)c(NCC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC001186315110 1050293925 /nfs/dbraw/zinc/29/39/25/1050293925.db2.gz BOGCECUFNOAVAS-UHFFFAOYSA-N 1 0 344.242 4.188 20 5 EIBDRO CC(C)(CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC001186336254 1050302907 /nfs/dbraw/zinc/30/29/07/1050302907.db2.gz ZMKNDBITDFHAHT-UHFFFAOYSA-N 1 0 346.258 4.436 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001177869976 1050308024 /nfs/dbraw/zinc/30/80/24/1050308024.db2.gz GEAOFSBBNFSFHL-CRAIPNDOSA-N 1 0 334.460 4.143 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CCCCC2(C)C)c1F ZINC001173177482 1050334496 /nfs/dbraw/zinc/33/44/96/1050334496.db2.gz ATBISKHSPVKCQD-WBMJQRKESA-N 1 0 338.423 4.232 20 5 EIBDRO C=Cc1ccc(C[NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])cc1 ZINC001173189726 1050336902 /nfs/dbraw/zinc/33/69/02/1050336902.db2.gz PVRFJCVNOQCGEJ-ZDUSSCGKSA-N 1 0 344.386 4.106 20 5 EIBDRO CCCCC[C@@H](C)[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173190460 1050337568 /nfs/dbraw/zinc/33/75/68/1050337568.db2.gz YRLMGXPUTMUSGZ-CHWSQXEVSA-N 1 0 326.412 4.232 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)c2ccccc2C)c1F ZINC001173191181 1050337755 /nfs/dbraw/zinc/33/77/55/1050337755.db2.gz JXIFTNQPLCOCBD-KGLIPLIRSA-N 1 0 346.402 4.333 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CCCCCCC2)c1F ZINC001173181023 1050338060 /nfs/dbraw/zinc/33/80/60/1050338060.db2.gz AKPUBDZIJJBSNA-ZDUSSCGKSA-N 1 0 338.423 4.376 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)Cc1ccccc1F ZINC001173217972 1050350119 /nfs/dbraw/zinc/35/01/19/1050350119.db2.gz HYTCBMDKLMYJKJ-CQSZACIVSA-N 1 0 330.403 4.276 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC001173216620 1050350851 /nfs/dbraw/zinc/35/08/51/1050350851.db2.gz DPHCPQMYZSNAGF-AUUYWEPGSA-N 1 0 328.412 4.275 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001173219675 1050352392 /nfs/dbraw/zinc/35/23/92/1050352392.db2.gz PFPUBOAFBJGYOF-SCLBCKFNSA-N 1 0 344.842 4.326 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccccc2Cl)CC1 ZINC001173218657 1050352927 /nfs/dbraw/zinc/35/29/27/1050352927.db2.gz RJPWGNKMLXDNMX-CYBMUJFWSA-N 1 0 330.815 4.458 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC001173218665 1050352983 /nfs/dbraw/zinc/35/29/83/1050352983.db2.gz RNUINNXHCPJKJP-KPZWWZAWSA-N 1 0 330.815 4.456 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)Cc1cccc(F)c1 ZINC001173223180 1050354292 /nfs/dbraw/zinc/35/42/92/1050354292.db2.gz GTNRZXKLUQLZEQ-CQSZACIVSA-N 1 0 330.403 4.276 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCOc2ccc(Cl)cc21 ZINC001173224315 1050355155 /nfs/dbraw/zinc/35/51/55/1050355155.db2.gz DQVIMBPXUQGAFG-PXAZEXFGSA-N 1 0 346.814 4.293 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccccc2F)CCC1 ZINC001173221106 1050355188 /nfs/dbraw/zinc/35/51/88/1050355188.db2.gz JBRZKIUQAYJTSD-CQSZACIVSA-N 1 0 328.387 4.334 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1ccncc1Cl)C1CC1 ZINC001173223722 1050355424 /nfs/dbraw/zinc/35/54/24/1050355424.db2.gz LGVLUAIKESNRPM-KPZWWZAWSA-N 1 0 345.830 4.315 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC001173231626 1050359080 /nfs/dbraw/zinc/35/90/80/1050359080.db2.gz BKFYAQBUKUVQCR-PJSAGSTRSA-N 1 0 330.815 4.325 20 5 EIBDRO CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230728 1050359314 /nfs/dbraw/zinc/35/93/14/1050359314.db2.gz FAAFRKUKPWGCBO-HNNXBMFYSA-N 1 0 328.412 4.057 20 5 EIBDRO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC001173230684 1050359538 /nfs/dbraw/zinc/35/95/38/1050359538.db2.gz UIGSOMULHXGBDQ-JLTOFOAXSA-N 1 0 340.423 4.202 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001173233094 1050360053 /nfs/dbraw/zinc/36/00/53/1050360053.db2.gz GZUVXOSWOLCVPA-OLZOCXBDSA-N 1 0 332.375 4.024 20 5 EIBDRO COc1ccccc1C[C@H](C)[N@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231863 1050360698 /nfs/dbraw/zinc/36/06/98/1050360698.db2.gz OEOCZKLIINSKNS-CVEARBPZSA-N 1 0 342.439 4.097 20 5 EIBDRO CN(c1ccccc1)c1ccc(C[NH2+]C2(C3CC3)CC2)cc1[N+](=O)[O-] ZINC001177981998 1050361133 /nfs/dbraw/zinc/36/11/33/1050361133.db2.gz ZAAOULOXDILQEY-UHFFFAOYSA-N 1 0 337.423 4.395 20 5 EIBDRO COc1cccc([C@H]2CCC[N@@H+]2[C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173234797 1050361662 /nfs/dbraw/zinc/36/16/62/1050361662.db2.gz UEQFQWHXKYFOEF-FOIQADDNSA-N 1 0 340.423 4.372 20 5 EIBDRO C[NH2+]Cc1cn([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c2ccc(C)cc12 ZINC001173234230 1050362300 /nfs/dbraw/zinc/36/23/00/1050362300.db2.gz QFPDSTONATZEGZ-HNNXBMFYSA-N 1 0 337.423 4.381 20 5 EIBDRO COc1ccc([C@H](C)[N@H+](C)[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173234503 1050362370 /nfs/dbraw/zinc/36/23/70/1050362370.db2.gz RSPFFCBLXVFUCD-GJZGRUSLSA-N 1 0 328.412 4.227 20 5 EIBDRO COc1cccc(CCC[N@H+](C)[C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173235354 1050362433 /nfs/dbraw/zinc/36/24/33/1050362433.db2.gz WHYOOWGKGZYODU-MRXNPFEDSA-N 1 0 342.439 4.099 20 5 EIBDRO COc1ccc(C(C)(C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173234131 1050362959 /nfs/dbraw/zinc/36/29/59/1050362959.db2.gz NLZSNUZLCNCXNX-AWEZNQCLSA-N 1 0 328.412 4.059 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCOc1ccc(Cl)cc1 ZINC001173212912 1050374100 /nfs/dbraw/zinc/37/41/00/1050374100.db2.gz COZCLVFOADCZGU-CQSZACIVSA-N 1 0 348.830 4.238 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1c(F)cc(Cl)cc1F ZINC001173214700 1050374125 /nfs/dbraw/zinc/37/41/25/1050374125.db2.gz DZDAQHWIAYMBRW-JTQLQIEISA-N 1 0 340.757 4.247 20 5 EIBDRO CCOc1ccc(Cl)cc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001178477652 1050478750 /nfs/dbraw/zinc/47/87/50/1050478750.db2.gz HXJGYWBDLAMUQH-UHFFFAOYSA-N 1 0 334.803 4.245 20 5 EIBDRO Cc1c(C[NH2+]Cc2cc3nc(Cl)ccc3s2)cccc1[N+](=O)[O-] ZINC001178477996 1050479198 /nfs/dbraw/zinc/47/91/98/1050479198.db2.gz NPXJIXZHODJUDH-UHFFFAOYSA-N 1 0 347.827 4.456 20 5 EIBDRO CC1(C)c2ccccc2CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000773759566 1050519150 /nfs/dbraw/zinc/51/91/50/1050519150.db2.gz FUYYKNIYDLIMBQ-UHFFFAOYSA-N 1 0 337.379 4.029 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc3cnccc3c2)C2CC2)c1 ZINC000618808871 1050536488 /nfs/dbraw/zinc/53/64/88/1050536488.db2.gz AWYDPXZYRVWKRY-UHFFFAOYSA-N 1 0 333.391 4.308 20 5 EIBDRO Cc1cnc(CC[NH2+]Cc2c3ccccc3cc3ccccc32)cn1 ZINC001178881341 1050578066 /nfs/dbraw/zinc/57/80/66/1050578066.db2.gz CDFHSDOHMKHRCG-UHFFFAOYSA-N 1 0 327.431 4.424 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](CC)CC(F)(F)F ZINC001178966573 1050599995 /nfs/dbraw/zinc/59/99/95/1050599995.db2.gz GKLSVMDBZFEUJR-LLVKDONJSA-N 1 0 334.338 4.062 20 5 EIBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCOC3(CCCC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000618986682 1050611504 /nfs/dbraw/zinc/61/15/04/1050611504.db2.gz LZXOUUCDMDIIPQ-KBXCAEBGSA-N 1 0 344.455 4.399 20 5 EIBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001179348305 1050671336 /nfs/dbraw/zinc/67/13/36/1050671336.db2.gz VYLZCTVAIGOXHU-ZVZLLHMNSA-N 1 0 346.452 4.225 20 5 EIBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCCC(F)F)cc1[N+](=O)[O-] ZINC001179559615 1050725507 /nfs/dbraw/zinc/72/55/07/1050725507.db2.gz NWHROZQNVZXUTH-UHFFFAOYSA-N 1 0 349.381 4.498 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)o1 ZINC001179602951 1050728873 /nfs/dbraw/zinc/72/88/73/1050728873.db2.gz OMXDTZSIENCWJB-ZQIUZPCESA-N 1 0 326.396 4.381 20 5 EIBDRO CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001180092178 1050866697 /nfs/dbraw/zinc/86/66/97/1050866697.db2.gz KJMYLPGZUYFTNZ-UZLBHIALSA-N 1 0 344.455 4.430 20 5 EIBDRO CCC(CC)[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000775212301 1050879821 /nfs/dbraw/zinc/87/98/21/1050879821.db2.gz NWIQTFOMFDIQGW-FUHWJXTLSA-N 1 0 348.468 4.457 20 5 EIBDRO CCO[C@@H]1C[C@@H]([N@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC001180132860 1050882591 /nfs/dbraw/zinc/88/25/91/1050882591.db2.gz NROXLBCEIQWAHL-VIZXMXCYSA-N 1 0 344.455 4.278 20 5 EIBDRO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1Nc1cnn(C)c1 ZINC001174331906 1050893342 /nfs/dbraw/zinc/89/33/42/1050893342.db2.gz BKXMJEKSLMOLTK-UHFFFAOYSA-N 1 0 331.423 4.240 20 5 EIBDRO C[C@@H](C(=O)N(C)Cc1c2ccccc2cc2ccccc21)[NH+]1CCCC1 ZINC001180578479 1051025762 /nfs/dbraw/zinc/02/57/62/1051025762.db2.gz IAHFIAAIEAWZCA-KRWDZBQOSA-N 1 0 346.474 4.436 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2cc(F)ccc2C1 ZINC001180788267 1051077675 /nfs/dbraw/zinc/07/76/75/1051077675.db2.gz VKSURNCPNJTEQK-ZROIWOOFSA-N 1 0 326.371 4.196 20 5 EIBDRO Cc1c(C[NH2+]C[C@@H](OC(C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC001180857074 1051094615 /nfs/dbraw/zinc/09/46/15/1051094615.db2.gz MHLZKGJCSFWKTJ-LJQANCHMSA-N 1 0 328.412 4.159 20 5 EIBDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001190417544 1051178336 /nfs/dbraw/zinc/17/83/36/1051178336.db2.gz KTRHBJTVKKEMCP-ZDUSSCGKSA-N 1 0 334.803 4.320 20 5 EIBDRO CC(C)(C)C1CCC(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001181267946 1051195665 /nfs/dbraw/zinc/19/56/65/1051195665.db2.gz XIFUOKHSHIKPKM-UHFFFAOYSA-N 1 0 344.459 4.413 20 5 EIBDRO CCCOC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCCC1 ZINC001181514228 1051243404 /nfs/dbraw/zinc/24/34/04/1051243404.db2.gz BKARTEZIPOPFJG-UHFFFAOYSA-N 1 0 340.851 4.467 20 5 EIBDRO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000183712552 1051309784 /nfs/dbraw/zinc/30/97/84/1051309784.db2.gz IVILMAPLDMAIQS-CQSZACIVSA-N 1 0 337.379 4.443 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001181859943 1051331090 /nfs/dbraw/zinc/33/10/90/1051331090.db2.gz LLHKPXRGYBOXSO-CJNGLKHVSA-N 1 0 335.448 4.116 20 5 EIBDRO COc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1F ZINC000131037862 1051455399 /nfs/dbraw/zinc/45/53/99/1051455399.db2.gz WZNYXVXZGXVHKW-JTQLQIEISA-N 1 0 338.766 4.247 20 5 EIBDRO C[C@H](COc1ccccc1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774154200 1051485644 /nfs/dbraw/zinc/48/56/44/1051485644.db2.gz ASSJTLZAEGKVJZ-KUHUBIRLSA-N 1 0 326.396 4.029 20 5 EIBDRO C[C@@H](COc1ccccc1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774154198 1051486485 /nfs/dbraw/zinc/48/64/85/1051486485.db2.gz ASSJTLZAEGKVJZ-IFXJQAMLSA-N 1 0 326.396 4.029 20 5 EIBDRO C[C@@H]1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)[C@H](C)C1 ZINC001182491593 1051627393 /nfs/dbraw/zinc/62/73/93/1051627393.db2.gz YNEORIICGROIKT-RKDXNWHRSA-N 1 0 333.251 4.039 20 5 EIBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)C1([NH+](C)C)CC1 ZINC001182597468 1051635974 /nfs/dbraw/zinc/63/59/74/1051635974.db2.gz MXOKUIGATLZVNZ-UHFFFAOYSA-N 1 0 332.447 4.046 20 5 EIBDRO COc1ccc([C@H](C)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC001192390194 1051712196 /nfs/dbraw/zinc/71/21/96/1051712196.db2.gz KYRQYWUDALPCPW-OAHLLOKOSA-N 1 0 340.423 4.372 20 5 EIBDRO CC[C@]1(CCc2ccccc2)CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001175757333 1051769661 /nfs/dbraw/zinc/76/96/61/1051769661.db2.gz AZNVTBNPPQJZBM-HXUWFJFHSA-N 1 0 339.439 4.367 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](O)(c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC001192627425 1051783190 /nfs/dbraw/zinc/78/31/90/1051783190.db2.gz WLKHGMDYZSDWMH-UZLBHIALSA-N 1 0 342.439 4.098 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](CC2CC2)c2ccccc2)cc1 ZINC001192823964 1051813973 /nfs/dbraw/zinc/81/39/73/1051813973.db2.gz OIGRUJVLGFYFCL-LJQANCHMSA-N 1 0 326.396 4.105 20 5 EIBDRO Cc1cc([C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C2CC2)ccc1F ZINC001192835378 1051819162 /nfs/dbraw/zinc/81/91/62/1051819162.db2.gz YGELSOMFDQBMCL-LJQANCHMSA-N 1 0 344.386 4.162 20 5 EIBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CC2CCCCC2)c2ccccc2)n1 ZINC001192911133 1051832276 /nfs/dbraw/zinc/83/22/76/1051832276.db2.gz ZITFVELWKCEBDD-SFHVURJKSA-N 1 0 342.443 4.093 20 5 EIBDRO Cc1ccc(C[NH2+]C[C@@H](OC(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC001183345147 1051832577 /nfs/dbraw/zinc/83/25/77/1051832577.db2.gz FUXQDUKVOUHRPG-LJQANCHMSA-N 1 0 328.412 4.159 20 5 EIBDRO C[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCCCC1 ZINC001193260234 1051892234 /nfs/dbraw/zinc/89/22/34/1051892234.db2.gz HLHJPAONENOZMJ-ZDUSSCGKSA-N 1 0 344.415 4.093 20 5 EIBDRO COc1ccccc1C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC001193251641 1051892333 /nfs/dbraw/zinc/89/23/33/1051892333.db2.gz VMYYEKOILLKVJO-QGZVFWFLSA-N 1 0 346.402 4.099 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCOCC1 ZINC000081197076 1051898993 /nfs/dbraw/zinc/89/89/93/1051898993.db2.gz ZFTIMTUEVCQMLS-GOSISDBHSA-N 1 0 344.411 4.150 20 5 EIBDRO CC(C)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001193497562 1051934561 /nfs/dbraw/zinc/93/45/61/1051934561.db2.gz RSFBQJRDXFSJMC-LBPRGKRZSA-N 1 0 330.350 4.482 20 5 EIBDRO C[C@H](C[NH2+]C1CC(c2cccc(F)c2)C1)c1ccccc1[N+](=O)[O-] ZINC001184046122 1051945378 /nfs/dbraw/zinc/94/53/78/1051945378.db2.gz UPHIKQLSUIOQKS-BZOOQXSSSA-N 1 0 328.387 4.373 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001184239317 1051977156 /nfs/dbraw/zinc/97/71/56/1051977156.db2.gz LNWDZONWQYGETD-HNNXBMFYSA-N 1 0 337.206 4.159 20 5 EIBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)cs1 ZINC000184465847 1051992862 /nfs/dbraw/zinc/99/28/62/1051992862.db2.gz OUUKYLYJCHOPKW-LBPRGKRZSA-N 1 0 349.456 4.078 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC001184500632 1052032580 /nfs/dbraw/zinc/03/25/80/1052032580.db2.gz LBTADJZWCRVNPV-INIZCTEOSA-N 1 0 331.441 4.214 20 5 EIBDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001194101615 1052085394 /nfs/dbraw/zinc/08/53/94/1052085394.db2.gz NSYYKUNIHYVLSL-AWEZNQCLSA-N 1 0 340.379 4.379 20 5 EIBDRO CC(C)(C)[NH+]1CCC(Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001184936159 1052125197 /nfs/dbraw/zinc/12/51/97/1052125197.db2.gz CUEIKYJDXZBNSD-UHFFFAOYSA-N 1 0 345.365 4.288 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000774836810 1052185989 /nfs/dbraw/zinc/18/59/89/1052185989.db2.gz RTZLRVOTACINJN-GFCCVEGCSA-N 1 0 334.803 4.498 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000072558851 1052434801 /nfs/dbraw/zinc/43/48/01/1052434801.db2.gz UVVUDFSGJAUYSF-AWEZNQCLSA-N 1 0 348.406 4.321 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)c(Cl)c1 ZINC001168528712 1052635409 /nfs/dbraw/zinc/63/54/09/1052635409.db2.gz FEKHCXNMCTZDND-SFHVURJKSA-N 1 0 330.815 4.359 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000090918613 1052783037 /nfs/dbraw/zinc/78/30/37/1052783037.db2.gz VLFLFEINIPQONF-ACJLOTCBSA-N 1 0 344.411 4.414 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000090918548 1052783281 /nfs/dbraw/zinc/78/32/81/1052783281.db2.gz PAWBWCILWMMRMI-YJYMSZOUSA-N 1 0 341.411 4.355 20 5 EIBDRO C[C@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000120151245 1053327932 /nfs/dbraw/zinc/32/79/32/1053327932.db2.gz OXWMQCTUNUZJIA-BLLLJJGKSA-N 1 0 342.420 4.194 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]CCCOc2ccccc2F)cc1[N+](=O)[O-] ZINC000764925237 1053378644 /nfs/dbraw/zinc/37/86/44/1053378644.db2.gz HFVVIRJHDSOZNS-AWEZNQCLSA-N 1 0 332.375 4.162 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000765298657 1053496257 /nfs/dbraw/zinc/49/62/57/1053496257.db2.gz ASYJESNUNKURRD-CQSZACIVSA-N 1 0 345.468 4.284 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000852594175 1053593304 /nfs/dbraw/zinc/59/33/04/1053593304.db2.gz AGQZIPXNMOTSDV-SUMWQHHRSA-N 1 0 338.835 4.029 20 5 EIBDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000852779737 1053610659 /nfs/dbraw/zinc/61/06/59/1053610659.db2.gz COMOMSHFIYNNTJ-GFCCVEGCSA-N 1 0 346.814 4.424 20 5 EIBDRO CC1(C)C[C@@]1([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001196457518 1053682316 /nfs/dbraw/zinc/68/23/16/1053682316.db2.gz BGECOIBCBWFEBF-HXUWFJFHSA-N 1 0 340.423 4.279 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC001196505718 1053686532 /nfs/dbraw/zinc/68/65/32/1053686532.db2.gz FRAZSLIGWCYGGP-LPHOPBHVSA-N 1 0 339.439 4.175 20 5 EIBDRO COCCC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000866539338 1053774499 /nfs/dbraw/zinc/77/44/99/1053774499.db2.gz AWGSVNFUPPZQBM-GOSISDBHSA-N 1 0 346.402 4.300 20 5 EIBDRO Cc1ccc2c(ccnc2N2C[C@H](CC[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001168546896 1053775173 /nfs/dbraw/zinc/77/51/73/1053775173.db2.gz YODVHFCTMKHFBO-AWEZNQCLSA-N 1 0 348.406 4.036 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000866620983 1053808561 /nfs/dbraw/zinc/80/85/61/1053808561.db2.gz OOVLXGFLAJGQBA-KBPBESRZSA-N 1 0 339.395 4.408 20 5 EIBDRO O=[N+]([O-])c1cccc(CNc2ccc3c(c2)[nH+]c2n3CCCCC2)c1 ZINC000552625428 1053910708 /nfs/dbraw/zinc/91/07/08/1053910708.db2.gz QTKGPZLPKLASFE-UHFFFAOYSA-N 1 0 336.395 4.283 20 5 EIBDRO CC[C@@H](OCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001197506166 1053928417 /nfs/dbraw/zinc/92/84/17/1053928417.db2.gz FOJHRGCLFQKHDL-HNAYVOBHSA-N 1 0 328.412 4.413 20 5 EIBDRO O=[N+]([O-])c1ccccc1OCC[N@H+](Cc1cccc(F)c1)C1CCC1 ZINC001197958941 1054037479 /nfs/dbraw/zinc/03/74/79/1054037479.db2.gz GTSKVHWOKFNBLO-UHFFFAOYSA-N 1 0 344.386 4.167 20 5 EIBDRO COc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC001198010205 1054045911 /nfs/dbraw/zinc/04/59/11/1054045911.db2.gz FSYOHCVUIMZTHZ-YJBOKZPZSA-N 1 0 340.423 4.372 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000173340417 1054068782 /nfs/dbraw/zinc/06/87/82/1054068782.db2.gz SWSZOJHSGWDIBG-CXAGYDPISA-N 1 0 342.395 4.168 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)cc1 ZINC000872017285 1054331509 /nfs/dbraw/zinc/33/15/09/1054331509.db2.gz YLSWNFKQEYEWRE-LBPRGKRZSA-N 1 0 332.425 4.176 20 5 EIBDRO COc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)c1 ZINC000872018829 1054335423 /nfs/dbraw/zinc/33/54/23/1054335423.db2.gz QHRNMXPRCJVFSW-LBPRGKRZSA-N 1 0 332.425 4.176 20 5 EIBDRO COCc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)c1 ZINC000872022242 1054339099 /nfs/dbraw/zinc/33/90/99/1054339099.db2.gz IILOLWVACYGILP-CYBMUJFWSA-N 1 0 346.452 4.314 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063136 1054372920 /nfs/dbraw/zinc/37/29/20/1054372920.db2.gz SZYDHNNTEAUYKX-DHSIGJKJSA-N 1 0 344.386 4.305 20 5 EIBDRO CC(C)c1ccc(C[NH2+]C[C@H](C)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC001199295590 1054382202 /nfs/dbraw/zinc/38/22/02/1054382202.db2.gz KJPQWRJEEUWTRV-CVEARBPZSA-N 1 0 333.476 4.071 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)s1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000872108139 1054389851 /nfs/dbraw/zinc/38/98/51/1054389851.db2.gz RMGBSJSANDVADT-MRVPVSSYSA-N 1 0 345.346 4.108 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)nc1 ZINC000872130191 1054405617 /nfs/dbraw/zinc/40/56/17/1054405617.db2.gz FUYWXEFXDZBBSE-QWRGUYRKSA-N 1 0 339.317 4.420 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC(C)(C)c1ccccc1 ZINC001199701511 1054458623 /nfs/dbraw/zinc/45/86/23/1054458623.db2.gz RXYBGLXLNGAYDY-UHFFFAOYSA-N 1 0 342.439 4.451 20 5 EIBDRO Cc1c(C[NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000873022588 1054478956 /nfs/dbraw/zinc/47/89/56/1054478956.db2.gz OTSXULYDEDMVNZ-QUCCMNQESA-N 1 0 340.423 4.161 20 5 EIBDRO C[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173392322 1054574221 /nfs/dbraw/zinc/57/42/21/1054574221.db2.gz VDFWYKFWKKSEOH-LBPRGKRZSA-N 1 0 336.338 4.090 20 5 EIBDRO O=[N+]([O-])c1cc(O)cc(Nc2ccccc2C[NH+]2CCCCC2)c1 ZINC001201223172 1054731515 /nfs/dbraw/zinc/73/15/15/1054731515.db2.gz VONJZVGSWCVTFH-UHFFFAOYSA-N 1 0 327.384 4.030 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cccc2ccoc21 ZINC001201692598 1054891210 /nfs/dbraw/zinc/89/12/10/1054891210.db2.gz DCQASFHUNCQQRN-UHFFFAOYSA-N 1 0 330.771 4.327 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnc(-c3ccccc3)nc2)cc1[N+](=O)[O-] ZINC000776223008 1054938954 /nfs/dbraw/zinc/93/89/54/1054938954.db2.gz ZHUQTFAZBRRMNZ-HNNXBMFYSA-N 1 0 348.406 4.211 20 5 EIBDRO COc1ccccc1C[C@H](C)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC001202213290 1055089685 /nfs/dbraw/zinc/08/96/85/1055089685.db2.gz LHKIRLUPCNOQPD-SFKKXYGYSA-N 1 0 340.423 4.228 20 5 EIBDRO CCCCOc1ccccc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC001202228199 1055097062 /nfs/dbraw/zinc/09/70/62/1055097062.db2.gz RDWACSBXLJFCAL-UHFFFAOYSA-N 1 0 328.412 4.106 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001202288309 1055125285 /nfs/dbraw/zinc/12/52/85/1055125285.db2.gz ARXCUXPUQMVQSY-MSOLQXFVSA-N 1 0 340.423 4.419 20 5 EIBDRO CC(C)c1ccc(O[C@@H](C)C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001202350157 1055136352 /nfs/dbraw/zinc/13/63/52/1055136352.db2.gz SUAIXJFQNNBQAY-HNNXBMFYSA-N 1 0 328.412 4.275 20 5 EIBDRO CC(C)C[C@@]1(C)CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878666851 1055368727 /nfs/dbraw/zinc/36/87/27/1055368727.db2.gz XJJOBJSZRJBOBO-GOSISDBHSA-N 1 0 344.415 4.045 20 5 EIBDRO CC(C)C[C@]1(C)CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878666853 1055371015 /nfs/dbraw/zinc/37/10/15/1055371015.db2.gz XJJOBJSZRJBOBO-SFHVURJKSA-N 1 0 344.415 4.045 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000326784568 1055519464 /nfs/dbraw/zinc/51/94/64/1055519464.db2.gz VLOMTXCGWPJHDY-OXQOHEQNSA-N 1 0 339.439 4.083 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000273507687 1055890846 /nfs/dbraw/zinc/89/08/46/1055890846.db2.gz ZWUPOEJFHZWSRL-BOFPYLFWSA-N 1 0 344.386 4.305 20 5 EIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000273705705 1056089600 /nfs/dbraw/zinc/08/96/00/1056089600.db2.gz NKYVNZOFKRNXKV-CHWSQXEVSA-N 1 0 344.415 4.074 20 5 EIBDRO C[N@@H+](C/C=C/c1ccc(F)c(F)c1)CCc1cccc([N+](=O)[O-])c1 ZINC000554865931 1056425456 /nfs/dbraw/zinc/42/54/56/1056425456.db2.gz ZNNOFANEYPUUKV-HWKANZROSA-N 1 0 332.350 4.061 20 5 EIBDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000741807679 1058378109 /nfs/dbraw/zinc/37/81/09/1058378109.db2.gz JZUGMDZKUYONBQ-KBXCAEBGSA-N 1 0 328.387 4.360 20 5 EIBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C12CCCC2 ZINC000742390453 1058589460 /nfs/dbraw/zinc/58/94/60/1058589460.db2.gz HKBRBVPNTVVTGA-CVEARBPZSA-N 1 0 338.835 4.076 20 5 EIBDRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000743857874 1059169706 /nfs/dbraw/zinc/16/97/06/1059169706.db2.gz WNXVMOYCUNSKFK-ZDUSSCGKSA-N 1 0 348.830 4.320 20 5 EIBDRO Cc1ncn(-c2nc3ccccc3c3ccccc32)c1CSCC[NH3+] ZINC001168796893 1060395851 /nfs/dbraw/zinc/39/58/51/1060395851.db2.gz FPLHYHUSWGBQIR-UHFFFAOYSA-N 1 0 348.475 4.074 20 5 EIBDRO Cn1cc(C[NH2+][C@@H](CC2CCCCC2)c2ccccc2)c([N+](=O)[O-])n1 ZINC001168825525 1060433135 /nfs/dbraw/zinc/43/31/35/1060433135.db2.gz KFVQUHZHZABGKG-SFHVURJKSA-N 1 0 342.443 4.130 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(Oc3ccccc3)cc2)C1 ZINC001168964959 1060557953 /nfs/dbraw/zinc/55/79/53/1060557953.db2.gz WTFRMEDSYLDRHW-IRXDYDNUSA-N 1 0 326.396 4.014 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001168966855 1060559516 /nfs/dbraw/zinc/55/95/16/1060559516.db2.gz LRWAVRWOUUYVEN-RDTXWAMCSA-N 1 0 328.387 4.028 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(c3ccc4ccccc4c3)CC2)C1 ZINC001169034008 1060588681 /nfs/dbraw/zinc/58/86/81/1060588681.db2.gz FBSKWIUSTIYEEX-KKSFZXQISA-N 1 0 338.451 4.465 20 5 EIBDRO Cc1c2ccccc2sc1[C@@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC001169034150 1060589930 /nfs/dbraw/zinc/58/99/30/1060589930.db2.gz YMWGBZGNPGBQBD-GFCCVEGCSA-N 1 0 327.409 4.364 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)C1 ZINC001169033199 1060591073 /nfs/dbraw/zinc/59/10/73/1060591073.db2.gz BIYHWJQPDBYGNP-LRQRDZAKSA-N 1 0 336.435 4.080 20 5 EIBDRO C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047472 1060603097 /nfs/dbraw/zinc/60/30/97/1060603097.db2.gz RFGBGFIEVOMLJA-NAYASGRBSA-N 1 0 348.446 4.308 20 5 EIBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc(F)cc(F)c1[N+](=O)[O-] ZINC001169699418 1060909240 /nfs/dbraw/zinc/90/92/40/1060909240.db2.gz YGMZVGNQKLBOAZ-AWEZNQCLSA-N 1 0 333.338 4.113 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000037985190 202078599 /nfs/dbraw/zinc/07/85/99/202078599.db2.gz YRPPXRZFQMEIIF-UHFFFAOYSA-N 1 0 341.230 4.017 20 5 EIBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC001168144171 1032208886 /nfs/dbraw/zinc/20/88/86/1032208886.db2.gz BYJPRQZWGTYQCZ-SYGIOELKSA-N 1 0 337.423 4.448 20 5 EIBDRO Cc1cccc(NC2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000532732262 1032281493 /nfs/dbraw/zinc/28/14/93/1032281493.db2.gz GJXVTOCCSXALCK-UHFFFAOYSA-N 1 0 339.439 4.288 20 5 EIBDRO COc1c(C)cnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C ZINC000532928199 1032394989 /nfs/dbraw/zinc/39/49/89/1032394989.db2.gz FPPODYACPFYNML-UHFFFAOYSA-N 1 0 343.427 4.026 20 5 EIBDRO CCCCC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000532919407 1032400426 /nfs/dbraw/zinc/40/04/26/1032400426.db2.gz WSKMTVXDVDDOJB-UHFFFAOYSA-N 1 0 332.404 4.045 20 5 EIBDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000475721411 1032501340 /nfs/dbraw/zinc/50/13/40/1032501340.db2.gz AZNFBCZTZKPUIA-KFWWJZLASA-N 1 0 343.427 4.159 20 5 EIBDRO O=[N+]([O-])c1ccc(CN(Cc2nc3cc(F)ccc3o2)C2CC2)cc1 ZINC000130235057 1032521475 /nfs/dbraw/zinc/52/14/75/1032521475.db2.gz UFCQJQHFMYCPRH-UHFFFAOYSA-N 1 0 341.342 4.040 20 5 EIBDRO CC[C@@H](C)[C@H](C)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000064809285 1019373950 /nfs/dbraw/zinc/37/39/50/1019373950.db2.gz AFOSLQCBALXFQG-OLZOCXBDSA-N 1 0 344.415 4.044 20 5 EIBDRO C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000246958161 1020298707 /nfs/dbraw/zinc/29/87/07/1020298707.db2.gz ISHMWJSZYNOAJB-KYNGSXCRSA-N 1 0 326.396 4.166 20 5 EIBDRO COc1cc(CN(Cc2ccccc2C)C2CC2)c([N+](=O)[O-])cc1F ZINC001167227317 1020602416 /nfs/dbraw/zinc/60/24/16/1020602416.db2.gz KWIKCLZBZVNNGK-UHFFFAOYSA-N 1 0 344.386 4.216 20 5 EIBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000547832024 1020783407 /nfs/dbraw/zinc/78/34/07/1020783407.db2.gz RYSUHDKJUCVQGC-CJNGLKHVSA-N 1 0 344.415 4.093 20 5 EIBDRO C[C@H]([NH2+]C[C@H]1CCCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000247211031 1020810216 /nfs/dbraw/zinc/81/02/16/1020810216.db2.gz XTZLIKFZLFAPLL-CVAIRZPRSA-N 1 0 340.423 4.413 20 5 EIBDRO COc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000610341773 1021331754 /nfs/dbraw/zinc/33/17/54/1021331754.db2.gz SKEXOBGQUUKHBC-CQSZACIVSA-N 1 0 328.412 4.232 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C[C@H](O)c1cccs1 ZINC000121158800 1021558251 /nfs/dbraw/zinc/55/82/51/1021558251.db2.gz AUGUWRLNIUROCV-XEZPLFJOSA-N 1 0 334.441 4.128 20 5 EIBDRO C[C@@H]([NH2+]CCc1ccccc1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000471540619 1021652901 /nfs/dbraw/zinc/65/29/01/1021652901.db2.gz JDGJGLXSUBFCSI-GFCCVEGCSA-N 1 0 336.338 4.090 20 5 EIBDRO Cc1ccc(C[NH2+]CC2CCC(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000610395501 1021755610 /nfs/dbraw/zinc/75/56/10/1021755610.db2.gz OZVMIHYMUXQWPQ-UHFFFAOYSA-N 1 0 330.350 4.362 20 5 EIBDRO COc1cccc2cc([C@@H](C)[NH2+]CCc3ccccc3[N+](=O)[O-])oc21 ZINC000548067305 1021787694 /nfs/dbraw/zinc/78/76/94/1021787694.db2.gz LAPQZEWYBJVPAL-CYBMUJFWSA-N 1 0 340.379 4.243 20 5 EIBDRO CCOc1cc(C[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001167396957 1022006423 /nfs/dbraw/zinc/00/64/23/1022006423.db2.gz DCHWSUDNONGHOC-YJBOKZPZSA-N 1 0 340.423 4.372 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2cccnc2)s1 ZINC000102419156 1022077239 /nfs/dbraw/zinc/07/72/39/1022077239.db2.gz ZUTBRIULWVUINH-UHFFFAOYSA-N 1 0 325.393 4.008 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOC1CCCCC1 ZINC000468628547 1022078185 /nfs/dbraw/zinc/07/81/85/1022078185.db2.gz RGAMPEHMROMNPI-SSZFMOIBSA-N 1 0 332.444 4.327 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2cccnc2)s1 ZINC000102421329 1022080957 /nfs/dbraw/zinc/08/09/57/1022080957.db2.gz GUMIWZLZOWLDIE-UHFFFAOYSA-N 1 0 339.420 4.051 20 5 EIBDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000471605318 1022345755 /nfs/dbraw/zinc/34/57/55/1022345755.db2.gz GFFZMBYLTWEOFI-LSMGEYOZSA-N 1 0 346.452 4.301 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471612783 1022397428 /nfs/dbraw/zinc/39/74/28/1022397428.db2.gz UYOBXRRJHAPKDE-FTRWYGJKSA-N 1 0 341.455 4.245 20 5 EIBDRO CCC[C@H]([NH2+]C[C@H]1CCCn2cc(C)nc21)c1cccc([N+](=O)[O-])c1 ZINC000378186485 1022489364 /nfs/dbraw/zinc/48/93/64/1022489364.db2.gz XPKKFKZCPILELX-AEFFLSMTSA-N 1 0 342.443 4.108 20 5 EIBDRO CC(C)c1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180413488 1022642602 /nfs/dbraw/zinc/64/26/02/1022642602.db2.gz VVMFVXBEPZSJGN-CQSZACIVSA-N 1 0 341.411 4.008 20 5 EIBDRO CC(C)(C)[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001167698728 1022692297 /nfs/dbraw/zinc/69/22/97/1022692297.db2.gz BTVVPENHUSSQPS-GOSISDBHSA-N 1 0 328.412 4.351 20 5 EIBDRO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)cc1[N+](=O)[O-] ZINC001167439453 1022716658 /nfs/dbraw/zinc/71/66/58/1022716658.db2.gz XFTTXXBXFQRJJN-LJQANCHMSA-N 1 0 339.439 4.306 20 5 EIBDRO Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)cc1[N+](=O)[O-] ZINC001167439452 1022717653 /nfs/dbraw/zinc/71/76/53/1022717653.db2.gz XFTTXXBXFQRJJN-IBGZPJMESA-N 1 0 339.439 4.306 20 5 EIBDRO CSCCCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180578406 1022723017 /nfs/dbraw/zinc/72/30/17/1022723017.db2.gz QIDNDHQSYVHCQW-GOSISDBHSA-N 1 0 330.453 4.417 20 5 EIBDRO CC[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000378392399 1022797433 /nfs/dbraw/zinc/79/74/33/1022797433.db2.gz FXDXAFMMKSSXCU-HOJAQTOUSA-N 1 0 340.423 4.413 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000177926787 1022847981 /nfs/dbraw/zinc/84/79/81/1022847981.db2.gz WOFAMOJZNCAHKJ-CHWSQXEVSA-N 1 0 332.425 4.153 20 5 EIBDRO COc1ccc(C[NH2+]Cc2ccc(C3CCC3)cc2)cc1[N+](=O)[O-] ZINC000549722178 1033100092 /nfs/dbraw/zinc/10/00/92/1033100092.db2.gz OUEAPGIDUCHECY-UHFFFAOYSA-N 1 0 326.396 4.161 20 5 EIBDRO COC[C@H]1CCCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000468695096 1023107467 /nfs/dbraw/zinc/10/74/67/1023107467.db2.gz RMLQVZQCGVSJDC-HNNXBMFYSA-N 1 0 344.411 4.103 20 5 EIBDRO CC(C)OC1CCC([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000090771435 1023221548 /nfs/dbraw/zinc/22/15/48/1023221548.db2.gz GPILHURIAPMMAA-ZLPCBKJTSA-N 1 0 334.460 4.242 20 5 EIBDRO COCC1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000414513002 1023247584 /nfs/dbraw/zinc/24/75/84/1023247584.db2.gz ORCTZIZHRFFRQW-UHFFFAOYSA-N 1 0 344.411 4.150 20 5 EIBDRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537976856 1023314993 /nfs/dbraw/zinc/31/49/93/1023314993.db2.gz LRRHFQHZABNWOA-PBHICJAKSA-N 1 0 326.396 4.304 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC000418101783 1023534439 /nfs/dbraw/zinc/53/44/39/1023534439.db2.gz SINVDVALPIOATO-GOSISDBHSA-N 1 0 326.396 4.079 20 5 EIBDRO CC[N+](C)(C)Cc1ccccc1NC1CC(C)(C)N(O)C(C)(C)C1 ZINC001167718376 1023621818 /nfs/dbraw/zinc/62/18/18/1023621818.db2.gz PXTAHIVEMMLLJB-UHFFFAOYSA-N 1 0 334.528 4.106 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000610738860 1023653347 /nfs/dbraw/zinc/65/33/47/1023653347.db2.gz NXAMMYJVDHSDLU-OAHLLOKOSA-N 1 0 338.407 4.177 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000468610923 1023667173 /nfs/dbraw/zinc/66/71/73/1023667173.db2.gz KVXWKLQQYTZSLU-GFBZKKKVSA-N 1 0 342.370 4.251 20 5 EIBDRO CCOc1cc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001167482943 1023708473 /nfs/dbraw/zinc/70/84/73/1023708473.db2.gz RNGVNIZEYJZTKX-SFHVURJKSA-N 1 0 340.423 4.058 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178309978 1023930893 /nfs/dbraw/zinc/93/08/93/1023930893.db2.gz HNKVVQCMPHFAFM-NCZKRNLISA-N 1 0 344.436 4.294 20 5 EIBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000466887396 1023977147 /nfs/dbraw/zinc/97/71/47/1023977147.db2.gz KAURJXWBMIRFDR-QWHCGFSZSA-N 1 0 348.374 4.039 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430745261 1024002572 /nfs/dbraw/zinc/00/25/72/1024002572.db2.gz WLLODXOJAWIAEE-CHWSQXEVSA-N 1 0 344.427 4.491 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430745270 1024004594 /nfs/dbraw/zinc/00/45/94/1024004594.db2.gz WLLODXOJAWIAEE-QWHCGFSZSA-N 1 0 344.427 4.491 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430751375 1024009074 /nfs/dbraw/zinc/00/90/74/1024009074.db2.gz VRTHHEDBXXVUPP-YCPHGPKFSA-N 1 0 338.398 4.331 20 5 EIBDRO Cc1c(CNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000477739529 1024085728 /nfs/dbraw/zinc/08/57/28/1024085728.db2.gz CKKIGJAHVNZRBD-DNVCBOLYSA-N 1 0 345.487 4.036 20 5 EIBDRO CC(C)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000610581590 1024112547 /nfs/dbraw/zinc/11/25/47/1024112547.db2.gz ZHSBPKJJOIUCMV-UHFFFAOYSA-N 1 0 339.395 4.394 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(C[N@H+](CC3CC3)C3CCCCC3)nc2c1 ZINC000610581342 1024114666 /nfs/dbraw/zinc/11/46/66/1024114666.db2.gz CKLOBCNYSNDQAI-UHFFFAOYSA-N 1 0 329.400 4.281 20 5 EIBDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000178356674 1024313952 /nfs/dbraw/zinc/31/39/52/1024313952.db2.gz ZFYBKIKWDCMFGZ-UONOGXRCSA-N 1 0 344.411 4.332 20 5 EIBDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000610741099 1024805557 /nfs/dbraw/zinc/80/55/57/1024805557.db2.gz DUNFEUFSVKXFCI-KBPBESRZSA-N 1 0 346.452 4.228 20 5 EIBDRO CCOc1cc(C[NH2+][C@@H](c2ncccc2C)C(C)C)ccc1[N+](=O)[O-] ZINC000276976161 1024848905 /nfs/dbraw/zinc/84/89/05/1024848905.db2.gz XTOJKYXWHWWZLC-GOSISDBHSA-N 1 0 343.427 4.184 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000610804222 1024985879 /nfs/dbraw/zinc/98/58/79/1024985879.db2.gz YCVNTGDFDXTOEU-KGLIPLIRSA-N 1 0 345.468 4.068 20 5 EIBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000481537418 1025193829 /nfs/dbraw/zinc/19/38/29/1025193829.db2.gz BYVYONJRJGDJGY-BONVTDFDSA-N 1 0 340.832 4.176 20 5 EIBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000024107798 1025642808 /nfs/dbraw/zinc/64/28/08/1025642808.db2.gz RFUOMHMACUPLRX-INIZCTEOSA-N 1 0 337.782 4.102 20 5 EIBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](C)c1cccc(OC)c1 ZINC000065534246 1025725507 /nfs/dbraw/zinc/72/55/07/1025725507.db2.gz MDULDALQHCNWEX-OAHLLOKOSA-N 1 0 344.411 4.065 20 5 EIBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)COC2 ZINC000539084167 1025804169 /nfs/dbraw/zinc/80/41/69/1025804169.db2.gz MAWZGTQOUFUQMH-OAHLLOKOSA-N 1 0 340.423 4.299 20 5 EIBDRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000569935723 1025815212 /nfs/dbraw/zinc/81/52/12/1025815212.db2.gz HDQBGRBFJSXCDH-GDIGMMSISA-N 1 0 340.423 4.194 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432425828 1025918137 /nfs/dbraw/zinc/91/81/37/1025918137.db2.gz OABZKMZMFXWEKM-KLHKWILBSA-N 1 0 348.487 4.489 20 5 EIBDRO C[C@H](O)c1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000279029918 1025976904 /nfs/dbraw/zinc/97/69/04/1025976904.db2.gz IIEMTKDELXBFRX-ORAYPTAESA-N 1 0 340.423 4.160 20 5 EIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000344093959 1026001615 /nfs/dbraw/zinc/00/16/15/1026001615.db2.gz QECMKNGKUSQPNM-HNNXBMFYSA-N 1 0 332.400 4.103 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCOc1ccccc1Cl ZINC000511058403 1026015758 /nfs/dbraw/zinc/01/57/58/1026015758.db2.gz RTCFXDDDOILVCI-CYBMUJFWSA-N 1 0 334.803 4.320 20 5 EIBDRO CC1(C)C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]2CCC[C@H]21 ZINC000550076124 1026016835 /nfs/dbraw/zinc/01/68/35/1026016835.db2.gz KWNOXLWFSJACMW-IAGOWNOFSA-N 1 0 341.411 4.260 20 5 EIBDRO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000182065940 1026067454 /nfs/dbraw/zinc/06/74/54/1026067454.db2.gz ORWJNKIUWHRVCM-CQSZACIVSA-N 1 0 337.379 4.443 20 5 EIBDRO Cc1cncc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000279155916 1026155827 /nfs/dbraw/zinc/15/58/27/1026155827.db2.gz AZRYSTWQGFSMGB-LLVKDONJSA-N 1 0 339.317 4.168 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000158050501 1026200854 /nfs/dbraw/zinc/20/08/54/1026200854.db2.gz GIXFNWCZVFARBC-BPAFIMBUSA-N 1 0 340.423 4.474 20 5 EIBDRO COC1(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCC1 ZINC000550240176 1026392763 /nfs/dbraw/zinc/39/27/63/1026392763.db2.gz OMOHDFPKVRNMDD-UHFFFAOYSA-N 1 0 346.452 4.372 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000540645960 1026443532 /nfs/dbraw/zinc/44/35/32/1026443532.db2.gz RNTJWMCFSZRPQX-HYKZEZFESA-N 1 0 344.386 4.113 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NC[C@@H]1CCCn2ccnc21 ZINC000342779531 1026488941 /nfs/dbraw/zinc/48/89/41/1026488941.db2.gz KRBVJZIFKLUGEE-VIFPVBQESA-N 1 0 341.198 4.088 20 5 EIBDRO CC(C)C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000178565119 1026548982 /nfs/dbraw/zinc/54/89/82/1026548982.db2.gz ALGOEIVYRJMJFK-RBUKOAKNSA-N 1 0 328.412 4.005 20 5 EIBDRO Cc1cnc(C2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000277573755 1026553694 /nfs/dbraw/zinc/55/36/94/1026553694.db2.gz YEWCMIOYHUOQII-CYBMUJFWSA-N 1 0 331.441 4.300 20 5 EIBDRO COc1cc(C[N@H+]([C@H](C)c2ccccc2)C2CC2)ccc1[N+](=O)[O-] ZINC000512241552 1026566333 /nfs/dbraw/zinc/56/63/33/1026566333.db2.gz HCGALVVXPGMYOH-CQSZACIVSA-N 1 0 326.396 4.329 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000158212816 1026566305 /nfs/dbraw/zinc/56/63/05/1026566305.db2.gz ZBWQQLRIFCHHHK-KNBMTAEXSA-N 1 0 340.423 4.474 20 5 EIBDRO COc1cc2c(NCc3cccc([N+](=O)[O-])c3C)cc[nH+]c2cc1F ZINC000479307708 1026797588 /nfs/dbraw/zinc/79/75/88/1026797588.db2.gz ABDXNFVKEMOTBS-UHFFFAOYSA-N 1 0 341.342 4.211 20 5 EIBDRO COCCC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000479879631 1026903737 /nfs/dbraw/zinc/90/37/37/1026903737.db2.gz BISYFZURPCCEBU-CLFYSBASSA-N 1 0 332.444 4.185 20 5 EIBDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000128121999 1027054042 /nfs/dbraw/zinc/05/40/42/1027054042.db2.gz BYEHKLYAKDHDQH-QWHCGFSZSA-N 1 0 334.441 4.135 20 5 EIBDRO CC[C@H](O)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000128121790 1027079217 /nfs/dbraw/zinc/07/92/17/1027079217.db2.gz BYEHKLYAKDHDQH-STQMWFEESA-N 1 0 334.441 4.135 20 5 EIBDRO C[C@@H]([NH2+]CCCCOCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178651968 1027104614 /nfs/dbraw/zinc/10/46/14/1027104614.db2.gz KLCHMFCJCOSJFX-MRXNPFEDSA-N 1 0 328.412 4.242 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCC(C(F)(F)F)CC1 ZINC000474476482 1027105673 /nfs/dbraw/zinc/10/56/73/1027105673.db2.gz ZBCCRXHGBLISGH-LKSINWNRSA-N 1 0 330.350 4.442 20 5 EIBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000078338434 1027321920 /nfs/dbraw/zinc/32/19/20/1027321920.db2.gz PSGMHJWUWKUZMX-CXAGYDPISA-N 1 0 331.441 4.151 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000544385027 1027374940 /nfs/dbraw/zinc/37/49/40/1027374940.db2.gz HGFCLFRKDKQMNG-INIZCTEOSA-N 1 0 332.787 4.034 20 5 EIBDRO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000441323433 1027448415 /nfs/dbraw/zinc/44/84/15/1027448415.db2.gz MZZHQXBTCKIITJ-KSSFIOAISA-N 1 0 344.386 4.196 20 5 EIBDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000178684768 1027483087 /nfs/dbraw/zinc/48/30/87/1027483087.db2.gz JVMCFNZMWAICSN-UGSOOPFHSA-N 1 0 342.395 4.168 20 5 EIBDRO Cc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c2c(n1)CCCC2 ZINC000896510769 1027518500 /nfs/dbraw/zinc/51/85/00/1027518500.db2.gz SUFOQYBXENCZPD-CQSZACIVSA-N 1 0 325.412 4.028 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)c(F)c1 ZINC000475552347 1027601650 /nfs/dbraw/zinc/60/16/50/1027601650.db2.gz LLVDEIDVOVGFQS-CZUORRHYSA-N 1 0 332.350 4.299 20 5 EIBDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444640883 1027937192 /nfs/dbraw/zinc/93/71/92/1027937192.db2.gz CUALVXOJBPAWBE-IBGZPJMESA-N 1 0 338.411 4.300 20 5 EIBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000522558078 1028003116 /nfs/dbraw/zinc/00/31/16/1028003116.db2.gz UMJGRKVCYHQPDB-KRWDZBQOSA-N 1 0 330.815 4.238 20 5 EIBDRO CSc1ccccc1[C@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000440624572 1028241486 /nfs/dbraw/zinc/24/14/86/1028241486.db2.gz MAZWKLWBWJEINL-ZDUSSCGKSA-N 1 0 332.425 4.046 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000524425154 1028914096 /nfs/dbraw/zinc/91/40/96/1028914096.db2.gz XDHZZYCLGUGUHT-INIZCTEOSA-N 1 0 330.815 4.280 20 5 EIBDRO CC1(C)CCCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000446073632 1029133519 /nfs/dbraw/zinc/13/35/19/1029133519.db2.gz PHBWMXLYTGYPQD-UHFFFAOYSA-N 1 0 329.400 4.262 20 5 EIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCCC(C)(C)C1 ZINC000446074972 1029133946 /nfs/dbraw/zinc/13/39/46/1029133946.db2.gz USSQLKQBMZJAQF-CYBMUJFWSA-N 1 0 344.415 4.218 20 5 EIBDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000034995604 1029173819 /nfs/dbraw/zinc/17/38/19/1029173819.db2.gz HOWIVZXCGDBSLF-GXFFZTMASA-N 1 0 327.222 4.026 20 5 EIBDRO COC1CCC(C)(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000475202419 1029432492 /nfs/dbraw/zinc/43/24/92/1029432492.db2.gz DJLAZZRBZABIBI-UHFFFAOYSA-N 1 0 334.460 4.403 20 5 EIBDRO C[C@@H]([NH2+]CCC[C@H](C)O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000278597325 1029574749 /nfs/dbraw/zinc/57/47/49/1029574749.db2.gz AJZPPMLEVZZTCO-QWHCGFSZSA-N 1 0 334.441 4.135 20 5 EIBDRO C[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(Cl)c1 ZINC000446847606 1029601976 /nfs/dbraw/zinc/60/19/76/1029601976.db2.gz AUUJVFZFNDWXJM-NSHDSACASA-N 1 0 344.802 4.018 20 5 EIBDRO CCO[C@@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000446856691 1029610003 /nfs/dbraw/zinc/61/00/03/1029610003.db2.gz PQYJPIRFZJICSS-WNJRYGEDSA-N 1 0 340.423 4.366 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000441196884 1029691772 /nfs/dbraw/zinc/69/17/72/1029691772.db2.gz ABLBGEAVIHWXBR-RVDMUPIBSA-N 1 0 335.407 4.312 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000525858425 1030080999 /nfs/dbraw/zinc/08/09/99/1030080999.db2.gz QFYKRUUHLSCBDX-PXAZEXFGSA-N 1 0 330.359 4.217 20 5 EIBDRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447535491 1030138367 /nfs/dbraw/zinc/13/83/67/1030138367.db2.gz GOJPXYPDEIOURH-JLTOFOAXSA-N 1 0 340.423 4.289 20 5 EIBDRO Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447585597 1030184456 /nfs/dbraw/zinc/18/44/56/1030184456.db2.gz KTCGFUGGVHHATM-RTBURBONSA-N 1 0 338.407 4.312 20 5 EIBDRO COc1cccc(Cl)c1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447603120 1030223589 /nfs/dbraw/zinc/22/35/89/1030223589.db2.gz WSFQVPFFEKSFMQ-QGZVFWFLSA-N 1 0 346.814 4.424 20 5 EIBDRO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccc1Cl ZINC000447604675 1030225815 /nfs/dbraw/zinc/22/58/15/1030225815.db2.gz CAFTXMSDYRSANG-JKSUJKDBSA-N 1 0 348.834 4.027 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]CCCCOc2ccccc2)cc1[N+](=O)[O-] ZINC000526118942 1030287187 /nfs/dbraw/zinc/28/71/87/1030287187.db2.gz XKCFTOMNKWAJDH-MRXNPFEDSA-N 1 0 328.412 4.413 20 5 EIBDRO CCOc1cc(C[NH2+][C@H](C)c2ccc(C)c(F)c2)ccc1[N+](=O)[O-] ZINC000451162375 1030289051 /nfs/dbraw/zinc/28/90/51/1030289051.db2.gz BEMQWLGZUCEIKD-CYBMUJFWSA-N 1 0 332.375 4.292 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000530476076 1030443383 /nfs/dbraw/zinc/44/33/83/1030443383.db2.gz LWTMFWZTHRCFOJ-VXGBXAGGSA-N 1 0 334.466 4.479 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000127527107 1030459047 /nfs/dbraw/zinc/45/90/47/1030459047.db2.gz HQUHQGPPRSLPMY-FUHWJXTLSA-N 1 0 346.471 4.387 20 5 EIBDRO CCCOc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000547286408 1030472174 /nfs/dbraw/zinc/47/21/74/1030472174.db2.gz WWDKJBLPZDFNBW-UHFFFAOYSA-N 1 0 328.412 4.409 20 5 EIBDRO CC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000451552195 1030573193 /nfs/dbraw/zinc/57/31/93/1030573193.db2.gz VZDRNRIFFOMKQK-LJQANCHMSA-N 1 0 338.407 4.177 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000527489327 1030726405 /nfs/dbraw/zinc/72/64/05/1030726405.db2.gz YLHAUVMTUHGALU-PXAZEXFGSA-N 1 0 330.359 4.217 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCCN(C)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000451863602 1030746553 /nfs/dbraw/zinc/74/65/53/1030746553.db2.gz FZWVPQXKROZTCN-KBXCAEBGSA-N 1 0 325.412 4.217 20 5 EIBDRO CC1(Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC[NH2+]CC1 ZINC001168186059 1030870839 /nfs/dbraw/zinc/87/08/39/1030870839.db2.gz QTLYPFODWVDBSI-UHFFFAOYSA-N 1 0 343.452 4.300 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2nc3cc(Cl)ccc3s2)c1 ZINC000531524140 1031330793 /nfs/dbraw/zinc/33/07/93/1031330793.db2.gz APIWQZXEMRXUJP-UHFFFAOYSA-N 1 0 347.827 4.190 20 5 EIBDRO O=[N+]([O-])c1ccc(CN(Cc2ccnn2C2CCCC2)C2CC2)cc1 ZINC000449010204 1031358095 /nfs/dbraw/zinc/35/80/95/1031358095.db2.gz KZXOPLUOIUUNTM-UHFFFAOYSA-N 1 0 340.427 4.071 20 5 EIBDRO C[C@H](C[NH2+][C@@H]1CCOC2(CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897461086 1031389496 /nfs/dbraw/zinc/38/94/96/1031389496.db2.gz YOOGYEMRHJSYAM-HZPDHXFCSA-N 1 0 332.444 4.170 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)o1 ZINC000532628984 1031446266 /nfs/dbraw/zinc/44/62/66/1031446266.db2.gz XWJQTMXNLNVYBC-AWEZNQCLSA-N 1 0 342.395 4.046 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CC(c3ccccc3F)C2)c(Cl)c1 ZINC000545244409 1031459568 /nfs/dbraw/zinc/45/95/68/1031459568.db2.gz SQMFTKRVGBHOOP-UHFFFAOYSA-N 1 0 334.778 4.423 20 5 EIBDRO COc1ccc(CCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000531700381 1031484687 /nfs/dbraw/zinc/48/46/87/1031484687.db2.gz DRWMKBFZYDMYRQ-HNNXBMFYSA-N 1 0 328.412 4.195 20 5 EIBDRO Cc1cccnc1[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449156872 1031487918 /nfs/dbraw/zinc/48/79/18/1031487918.db2.gz TWIPXSQXGMNHEC-CRAIPNDOSA-N 1 0 327.428 4.216 20 5 EIBDRO CCOCCC1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000449189904 1031509785 /nfs/dbraw/zinc/50/97/85/1031509785.db2.gz VOPPZCNKCRVUFS-INIZCTEOSA-N 1 0 334.460 4.102 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000449254607 1031569101 /nfs/dbraw/zinc/56/91/01/1031569101.db2.gz ZHKIJZDDLZEEDF-XFQXTVEOSA-N 1 0 340.423 4.036 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449245518 1031582104 /nfs/dbraw/zinc/58/21/04/1031582104.db2.gz BMIVKBISBUDJRF-TYILLQQXSA-N 1 0 346.402 4.031 20 5 EIBDRO COc1ccc(C[N@H+]2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000449357994 1031679480 /nfs/dbraw/zinc/67/94/80/1031679480.db2.gz BNZAAEXLNSVRML-LOWVWBTDSA-N 1 0 346.349 4.155 20 5 EIBDRO COC[C@@]1(C)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000449397884 1031701226 /nfs/dbraw/zinc/70/12/26/1031701226.db2.gz WGRGZKBLMGIFCA-SFHVURJKSA-N 1 0 346.452 4.182 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453222233 1031741192 /nfs/dbraw/zinc/74/11/92/1031741192.db2.gz KZGMSUQFIUJAQE-CVAIRZPRSA-N 1 0 339.439 4.081 20 5 EIBDRO COc1cccc(C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C2CC2)c1 ZINC000520288434 1031763482 /nfs/dbraw/zinc/76/34/82/1031763482.db2.gz PXSVYYWWBHPUPE-LJQANCHMSA-N 1 0 340.423 4.023 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000453319323 1031846012 /nfs/dbraw/zinc/84/60/12/1031846012.db2.gz NGVJKEOGWCPPBR-WCQYABFASA-N 1 0 328.359 4.080 20 5 EIBDRO CCCc1ncc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000449610400 1031872054 /nfs/dbraw/zinc/87/20/54/1031872054.db2.gz GKYAEJKUSMSTGW-YOEHRIQHSA-N 1 0 343.427 4.036 20 5 EIBDRO COc1cccc([C@H]2C[C@H]([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])C2)c1 ZINC000449615153 1031892422 /nfs/dbraw/zinc/89/24/22/1031892422.db2.gz KKAOXHBLGBMVRX-KIYPWQMKSA-N 1 0 338.407 4.152 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCC[C@@H]2CCOC2)c2ccccc2)c1 ZINC000453385342 1031894794 /nfs/dbraw/zinc/89/47/94/1031894794.db2.gz UJLRYNYRGHDFRL-OXQOHEQNSA-N 1 0 340.423 4.091 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453375232 1031923211 /nfs/dbraw/zinc/92/32/11/1031923211.db2.gz IAILXLMZGBHHSS-DVOMOZLQSA-N 1 0 346.452 4.135 20 5 EIBDRO CC1(C)C[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000453583336 1032029664 /nfs/dbraw/zinc/02/96/64/1032029664.db2.gz PCEPHUJPFUDGIH-CQSZACIVSA-N 1 0 344.411 4.150 20 5 EIBDRO CC1(C)C[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000453583333 1032030255 /nfs/dbraw/zinc/03/02/55/1032030255.db2.gz PCEPHUJPFUDGIH-AWEZNQCLSA-N 1 0 344.411 4.150 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCSc2ccccc21 ZINC000573624755 1033410948 /nfs/dbraw/zinc/41/09/48/1033410948.db2.gz QJDULAFJGJOTFJ-HOTGVXAUSA-N 1 0 326.421 4.409 20 5 EIBDRO Cc1cnc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)s1 ZINC000433032061 1033698792 /nfs/dbraw/zinc/69/87/92/1033698792.db2.gz QJDKNIMAAIQVMB-UHFFFAOYSA-N 1 0 331.441 4.048 20 5 EIBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(F)c(F)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433171812 1033988341 /nfs/dbraw/zinc/98/83/41/1033988341.db2.gz BIBIUEYEKDAZCK-KRWDZBQOSA-N 1 0 332.350 4.385 20 5 EIBDRO COc1cccc([C@H]2C[C@H]([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000453377420 1034031463 /nfs/dbraw/zinc/03/14/63/1034031463.db2.gz QESDQVLKQWFGOR-KBRIMQKVSA-N 1 0 326.396 4.200 20 5 EIBDRO Cc1ccc(CNCc2ccccc2[N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000150971801 1034065610 /nfs/dbraw/zinc/06/56/10/1034065610.db2.gz CIZIWPLHHFRXMZ-UHFFFAOYSA-N 1 0 328.412 4.370 20 5 EIBDRO C[C@@H]1C[C@H](CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000433221832 1034072097 /nfs/dbraw/zinc/07/20/97/1034072097.db2.gz RRVNIZZUTZBVCD-LBTNJELSSA-N 1 0 332.444 4.112 20 5 EIBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000512880368 1034121253 /nfs/dbraw/zinc/12/12/53/1034121253.db2.gz SRLOTRYERTWDPN-SMDDNHRTSA-N 1 0 334.466 4.164 20 5 EIBDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000512894581 1034137159 /nfs/dbraw/zinc/13/71/59/1034137159.db2.gz KYGWSUKDGFBXEW-KGLIPLIRSA-N 1 0 346.452 4.086 20 5 EIBDRO COc1cc(C[NH2+][C@H](C)c2ccc(C3CC3)cc2)ccc1[N+](=O)[O-] ZINC000419337804 1034353822 /nfs/dbraw/zinc/35/38/22/1034353822.db2.gz LEHAPDNSQDMHII-CYBMUJFWSA-N 1 0 326.396 4.332 20 5 EIBDRO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCCCC3)cc2)c(F)c1 ZINC000513084761 1034507219 /nfs/dbraw/zinc/50/72/19/1034507219.db2.gz WVDXQUVOASKGBY-UHFFFAOYSA-N 1 0 343.402 4.332 20 5 EIBDRO CSc1ccc2c(c1)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000576399105 1034514928 /nfs/dbraw/zinc/51/49/28/1034514928.db2.gz GNBKKFFLSJVRIG-GOSISDBHSA-N 1 0 328.437 4.484 20 5 EIBDRO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Cl)cc1 ZINC000345313507 1035192058 /nfs/dbraw/zinc/19/20/58/1035192058.db2.gz JAZDNNBPFWGWLS-AWEZNQCLSA-N 1 0 344.802 4.365 20 5 EIBDRO CC[C@H](C)[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000237001622 1035326410 /nfs/dbraw/zinc/32/64/10/1035326410.db2.gz WQXGITGMPZIVLT-AWEZNQCLSA-N 1 0 344.411 4.071 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCc2c1cccc2C ZINC000595012162 1035504579 /nfs/dbraw/zinc/50/45/79/1035504579.db2.gz CCNRGAOEKHYMCQ-UGSOOPFHSA-N 1 0 326.396 4.250 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000595015481 1035505623 /nfs/dbraw/zinc/50/56/23/1035505623.db2.gz OBULAUDZTGPSLL-APPDUMDISA-N 1 0 330.359 4.081 20 5 EIBDRO CC(C)c1ccc(C[NH2+]Cc2c(C3CCC3)cnn2C)cc1[N+](=O)[O-] ZINC000594983401 1035514679 /nfs/dbraw/zinc/51/46/79/1035514679.db2.gz LUBNJGPHWMVCHP-UHFFFAOYSA-N 1 0 342.443 4.009 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000595067114 1035552175 /nfs/dbraw/zinc/55/21/75/1035552175.db2.gz KTUZOCRDWAAUTF-STQMWFEESA-N 1 0 346.452 4.135 20 5 EIBDRO COC1CC(CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000595048281 1035568974 /nfs/dbraw/zinc/56/89/74/1035568974.db2.gz JISYMZYPTFEYFP-OAAAQFAESA-N 1 0 340.423 4.089 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)c1ccccn1 ZINC000595047724 1035569014 /nfs/dbraw/zinc/56/90/14/1035569014.db2.gz GBMDYBJAVGAKLE-CABCVRRESA-N 1 0 345.468 4.254 20 5 EIBDRO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000595051929 1035571848 /nfs/dbraw/zinc/57/18/48/1035571848.db2.gz XVJQPPGCTHQAGG-GPMSIDNRSA-N 1 0 339.439 4.094 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1cccc([N+](=O)[O-])c1 ZINC000595100048 1035589494 /nfs/dbraw/zinc/58/94/94/1035589494.db2.gz TUHNXMFEVLKHJD-GOSISDBHSA-N 1 0 342.443 4.227 20 5 EIBDRO C[C@]1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000595080249 1035590960 /nfs/dbraw/zinc/59/09/60/1035590960.db2.gz PLFJUENTHHFGGX-DLBZAZTESA-N 1 0 332.350 4.319 20 5 EIBDRO C[C@]1(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000595078728 1035594071 /nfs/dbraw/zinc/59/40/71/1035594071.db2.gz ANUGGGVAGBCTRJ-QRTARXTBSA-N 1 0 338.398 4.331 20 5 EIBDRO CC(C)[C@H](O)[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000595095102 1035603648 /nfs/dbraw/zinc/60/36/48/1035603648.db2.gz FMCXFSDHCRMMGZ-JVPBZIDWSA-N 1 0 328.412 4.004 20 5 EIBDRO COc1cccc(C2([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)CCC2)c1 ZINC000595093967 1035606299 /nfs/dbraw/zinc/60/62/99/1035606299.db2.gz QNUBDHUBXKSKMS-AWEZNQCLSA-N 1 0 326.396 4.333 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000595417760 1035673620 /nfs/dbraw/zinc/67/36/20/1035673620.db2.gz CAWDXXXLWLZDEB-AWEZNQCLSA-N 1 0 343.402 4.185 20 5 EIBDRO CC(C)=CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000595564080 1035696155 /nfs/dbraw/zinc/69/61/55/1035696155.db2.gz WLPSDAKAVHEOBU-IYARVYRRSA-N 1 0 332.444 4.057 20 5 EIBDRO COc1ccccc1C(C)(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000237103860 1035710594 /nfs/dbraw/zinc/71/05/94/1035710594.db2.gz WTUSRBVNELMRIN-CSKARUKUSA-N 1 0 326.396 4.142 20 5 EIBDRO CCOc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)ccc1OC ZINC000168816691 1035742149 /nfs/dbraw/zinc/74/21/49/1035742149.db2.gz IAARYVHHMJNPOJ-CQSZACIVSA-N 1 0 344.411 4.161 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595781683 1035791541 /nfs/dbraw/zinc/79/15/41/1035791541.db2.gz FMWQROUOUFQYRJ-HNAYVOBHSA-N 1 0 332.444 4.245 20 5 EIBDRO Cc1cc([C@@H]2CN([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)ccc1F ZINC000491160607 1035818641 /nfs/dbraw/zinc/81/86/41/1035818641.db2.gz IGMYATJJKQCGEI-LIRRHRJNSA-N 1 0 344.386 4.177 20 5 EIBDRO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000596176171 1035833896 /nfs/dbraw/zinc/83/38/96/1035833896.db2.gz ZMUJEYNLWGTNJT-OAHLLOKOSA-N 1 0 333.338 4.131 20 5 EIBDRO C[NH+](C)CCc1ccc(CNc2ccc(C(F)F)cc2[N+](=O)[O-])cc1 ZINC000596204100 1035839967 /nfs/dbraw/zinc/83/99/67/1035839967.db2.gz NVPGHAVFQWLYSP-UHFFFAOYSA-N 1 0 349.381 4.249 20 5 EIBDRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000237177352 1036165654 /nfs/dbraw/zinc/16/56/54/1036165654.db2.gz PMWQNRBFOFLYLW-AWEZNQCLSA-N 1 0 346.452 4.121 20 5 EIBDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000502431508 1036197252 /nfs/dbraw/zinc/19/72/52/1036197252.db2.gz AWHGZMJGHGLSMA-DFBGVHRSSA-N 1 0 328.334 4.282 20 5 EIBDRO COC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000571775771 1036251098 /nfs/dbraw/zinc/25/10/98/1036251098.db2.gz HKFHZEKSOHCXQS-IRXDYDNUSA-N 1 0 346.814 4.213 20 5 EIBDRO COc1cc(C[N@H+](C)Cc2csc3ccccc23)ccc1[N+](=O)[O-] ZINC000485787542 1036274713 /nfs/dbraw/zinc/27/47/13/1036274713.db2.gz DEVPWDISQVTCTH-UHFFFAOYSA-N 1 0 342.420 4.450 20 5 EIBDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000760697339 1036386216 /nfs/dbraw/zinc/38/62/16/1036386216.db2.gz BYLXKAPHEGSICO-IQMFZBJNSA-N 1 0 325.477 4.240 20 5 EIBDRO CC1(C)C[C@@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000156794365 1036407341 /nfs/dbraw/zinc/40/73/41/1036407341.db2.gz NHBVJCCFJFGCMI-PKOBYXMFSA-N 1 0 340.423 4.231 20 5 EIBDRO CC[C@H](Cc1cccs1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588959236 1036622604 /nfs/dbraw/zinc/62/26/04/1036622604.db2.gz NWIKQEFDLICTJV-CQSZACIVSA-N 1 0 343.452 4.291 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c(Cl)c1 ZINC000589324884 1036732932 /nfs/dbraw/zinc/73/29/32/1036732932.db2.gz AQAWRUPLYYPEHK-AEFFLSMTSA-N 1 0 346.814 4.258 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000421855636 1036809663 /nfs/dbraw/zinc/80/96/63/1036809663.db2.gz MLXIIWLFDDGMHM-RBSFLKMASA-N 1 0 338.473 4.013 20 5 EIBDRO CC(C)([NH2+]Cc1cc2ccc(F)cc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000486719046 1036825955 /nfs/dbraw/zinc/82/59/55/1036825955.db2.gz FWBPIOUCWCMRJK-UHFFFAOYSA-N 1 0 327.359 4.240 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@H]2CCCOC2)s1 ZINC000598984849 1036842784 /nfs/dbraw/zinc/84/27/84/1036842784.db2.gz DKNBXANUPGUPJA-CQSZACIVSA-N 1 0 346.452 4.230 20 5 EIBDRO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000486779734 1036850162 /nfs/dbraw/zinc/85/01/62/1036850162.db2.gz NRMCFTWVRXIYDE-HNNXBMFYSA-N 1 0 344.415 4.045 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCCc3scnc32)cc1 ZINC000599032614 1036851073 /nfs/dbraw/zinc/85/10/73/1036851073.db2.gz USWHFRZJUOTORP-OAHLLOKOSA-N 1 0 331.441 4.041 20 5 EIBDRO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486802978 1036863778 /nfs/dbraw/zinc/86/37/78/1036863778.db2.gz PPIZWXKQUCSKNT-HNNXBMFYSA-N 1 0 344.415 4.045 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000599068866 1036869203 /nfs/dbraw/zinc/86/92/03/1036869203.db2.gz QFMADZKVGBAZJF-YWZLYKJASA-N 1 0 339.439 4.442 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC000590067876 1036971221 /nfs/dbraw/zinc/97/12/21/1036971221.db2.gz XBNQXMXKMSTELP-CTYIDZIISA-N 1 0 334.778 4.423 20 5 EIBDRO Cc1cccc([C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)C)c1 ZINC000599630096 1037099871 /nfs/dbraw/zinc/09/98/71/1037099871.db2.gz NBHRKAXPRXRYSY-LJQANCHMSA-N 1 0 338.411 4.266 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590599982 1037115043 /nfs/dbraw/zinc/11/50/43/1037115043.db2.gz INPBYQXFNFVGBK-CVEARBPZSA-N 1 0 325.412 4.239 20 5 EIBDRO COc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C2CC2)cc1 ZINC000057601467 1037135953 /nfs/dbraw/zinc/13/59/53/1037135953.db2.gz HUASFFJJQIQFQQ-HNNXBMFYSA-N 1 0 340.423 4.404 20 5 EIBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000604012604 1037148377 /nfs/dbraw/zinc/14/83/77/1037148377.db2.gz VRTIFTIBEOAUHL-INIZCTEOSA-N 1 0 332.425 4.262 20 5 EIBDRO COCCC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000151173404 1037160890 /nfs/dbraw/zinc/16/08/90/1037160890.db2.gz LGALFSTYVSTFAT-UHFFFAOYSA-N 1 0 346.452 4.230 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCC(OC(F)F)CC1)CCC2 ZINC000590780075 1037164412 /nfs/dbraw/zinc/16/44/12/1037164412.db2.gz BLAPUBQZMUDCIU-PXCJXSSVSA-N 1 0 340.370 4.112 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CC3(CC(F)C3)C2)s1 ZINC000590969287 1037218268 /nfs/dbraw/zinc/21/82/68/1037218268.db2.gz KTIUNKGNFAVNNB-UHFFFAOYSA-N 1 0 332.400 4.257 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2ccc(OC(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000604435066 1037390396 /nfs/dbraw/zinc/39/03/96/1037390396.db2.gz YOGSZAJSPHGANI-UHFFFAOYSA-N 1 0 328.412 4.370 20 5 EIBDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000604492778 1037406975 /nfs/dbraw/zinc/40/69/75/1037406975.db2.gz UNTNRYNVEQCMHO-FQEVSTJZSA-N 1 0 340.423 4.155 20 5 EIBDRO Cc1ccc([C@@H](CNc2ccsc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000604508559 1037421677 /nfs/dbraw/zinc/42/16/77/1037421677.db2.gz KJHRHHAUDOBPEV-MRXNPFEDSA-N 1 0 331.441 4.214 20 5 EIBDRO COc1ccc(C[NH2+]C2(c3cccc(C)c3)CCC2)cc1[N+](=O)[O-] ZINC000592145816 1037754393 /nfs/dbraw/zinc/75/43/93/1037754393.db2.gz CDDYVKNWNMXPFG-UHFFFAOYSA-N 1 0 326.396 4.081 20 5 EIBDRO C[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])CC(F)F ZINC000592392305 1037785228 /nfs/dbraw/zinc/78/52/28/1037785228.db2.gz KIFBDMZOEGDNCY-GUTXKFCHSA-N 1 0 326.387 4.187 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cscn1 ZINC000573982008 1037800194 /nfs/dbraw/zinc/80/01/94/1037800194.db2.gz BTVNLPWNFNVIKE-NEPJUHHUSA-N 1 0 337.470 4.273 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000489150033 1037882514 /nfs/dbraw/zinc/88/25/14/1037882514.db2.gz AJPDUKOAJQBGSI-MGPUTAFESA-N 1 0 340.423 4.210 20 5 EIBDRO Cc1csc([C@H]2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000249909135 1037892250 /nfs/dbraw/zinc/89/22/50/1037892250.db2.gz VPQOIYZFELTWJW-HIFRSBDPSA-N 1 0 331.441 4.300 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(c2ccccc2C)CCC1 ZINC000593040411 1037905477 /nfs/dbraw/zinc/90/54/77/1037905477.db2.gz RTYJAYVNHFWDLB-UHFFFAOYSA-N 1 0 326.396 4.081 20 5 EIBDRO CCC[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000503858873 1037945200 /nfs/dbraw/zinc/94/52/00/1037945200.db2.gz SIEOYSJFTTXVIN-ZWKOTPCHSA-N 1 0 332.444 4.375 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000593112733 1037970585 /nfs/dbraw/zinc/97/05/85/1037970585.db2.gz UFXBMKZQSRKFAA-UHFFFAOYSA-N 1 0 336.313 4.393 20 5 EIBDRO CCc1ccc([C@H]([NH2+][C@@H]2CCS[C@@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000592397202 1037971747 /nfs/dbraw/zinc/97/17/47/1037971747.db2.gz DOPCMZXMFMEFLW-XHBKTUGNSA-N 1 0 346.452 4.323 20 5 EIBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000592520035 1038141217 /nfs/dbraw/zinc/14/12/17/1038141217.db2.gz CFYMKWNBKHIJEF-QGZVFWFLSA-N 1 0 325.412 4.103 20 5 EIBDRO COc1cc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)ccc1[N+](=O)[O-] ZINC000489990996 1038306989 /nfs/dbraw/zinc/30/69/89/1038306989.db2.gz TWLIFCSLVSHDCT-LJQANCHMSA-N 1 0 344.386 4.374 20 5 EIBDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594490248 1038342606 /nfs/dbraw/zinc/34/26/06/1038342606.db2.gz JSFDWBJABKXYRJ-DYVFJYSZSA-N 1 0 326.396 4.250 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000594502498 1038348652 /nfs/dbraw/zinc/34/86/52/1038348652.db2.gz JGZGYNQYXDZFMO-MRXNPFEDSA-N 1 0 348.349 4.016 20 5 EIBDRO C[C@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000594710354 1038391692 /nfs/dbraw/zinc/39/16/92/1038391692.db2.gz IAGRCTZSSAQNDB-XHDPSFHLSA-N 1 0 346.349 4.136 20 5 EIBDRO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000424198580 1038733976 /nfs/dbraw/zinc/73/39/76/1038733976.db2.gz JCBHYVOEGFSTNX-UHFFFAOYSA-N 1 0 334.803 4.282 20 5 EIBDRO COc1cccc(C(C)(C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000539054101 1038803051 /nfs/dbraw/zinc/80/30/51/1038803051.db2.gz VQLGQBAIMNFQSW-AWEZNQCLSA-N 1 0 328.412 4.232 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)c1 ZINC000539065985 1038817579 /nfs/dbraw/zinc/81/75/79/1038817579.db2.gz LTLGUSZERVEEFG-IBGZPJMESA-N 1 0 340.423 4.023 20 5 EIBDRO COc1cccc(C[C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000539078176 1038824481 /nfs/dbraw/zinc/82/44/81/1038824481.db2.gz NCESWTJMNHLBBT-LSDHHAIUSA-N 1 0 328.412 4.194 20 5 EIBDRO Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539080475 1038825790 /nfs/dbraw/zinc/82/57/90/1038825790.db2.gz VRPSIYHXNCSWAG-RDTXWAMCSA-N 1 0 326.396 4.304 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000504893395 1038839381 /nfs/dbraw/zinc/83/93/81/1038839381.db2.gz FGFGTOBVBCZFAV-CFVMTHIKSA-N 1 0 338.473 4.318 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[C@@H]1CCCO1 ZINC000504894654 1038841395 /nfs/dbraw/zinc/84/13/95/1038841395.db2.gz NODKLVHXVRQDNE-ZNMIVQPWSA-N 1 0 338.473 4.013 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CCc2ccco2)cc1[N+](=O)[O-] ZINC000504911362 1038847362 /nfs/dbraw/zinc/84/73/62/1038847362.db2.gz FEWWPLOHCOIMBK-KBPBESRZSA-N 1 0 332.400 4.258 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CCOc2ccccc2C)cc1[N+](=O)[O-] ZINC000504912085 1038849552 /nfs/dbraw/zinc/84/95/52/1038849552.db2.gz PTJVWQDYUGULJK-HNNXBMFYSA-N 1 0 344.411 4.032 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccccc1O ZINC000504917194 1038852568 /nfs/dbraw/zinc/85/25/68/1038852568.db2.gz BFNWCZXKFPCQSY-OAHLLOKOSA-N 1 0 346.452 4.003 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccn1 ZINC000504925965 1038857097 /nfs/dbraw/zinc/85/70/97/1038857097.db2.gz GBYMSCRSCWDRLS-ZIAGYGMSSA-N 1 0 331.441 4.211 20 5 EIBDRO CO[C@@H](C)C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000537616285 1038897239 /nfs/dbraw/zinc/89/72/39/1038897239.db2.gz MPLLZWXZTRDDQR-AWEZNQCLSA-N 1 0 332.400 4.100 20 5 EIBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000537616863 1038910842 /nfs/dbraw/zinc/91/08/42/1038910842.db2.gz YKZJMGVJNGORJL-IBGZPJMESA-N 1 0 332.444 4.111 20 5 EIBDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000537619616 1038951387 /nfs/dbraw/zinc/95/13/87/1038951387.db2.gz HQHFWUWTEWNRTK-CHWSQXEVSA-N 1 0 331.441 4.339 20 5 EIBDRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513820472 1039297079 /nfs/dbraw/zinc/29/70/79/1039297079.db2.gz PYANHCVJKVVILY-ZMSDIMECSA-N 1 0 334.460 4.099 20 5 EIBDRO CCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000537635585 1039333786 /nfs/dbraw/zinc/33/37/86/1039333786.db2.gz DMZYTCPULDMQFK-LJKRUFLISA-N 1 0 344.455 4.134 20 5 EIBDRO COC[C@H](C)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000481425543 1039397870 /nfs/dbraw/zinc/39/78/70/1039397870.db2.gz PFWJHELEJMEBPV-CHWSQXEVSA-N 1 0 334.441 4.256 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCO[C@@H]2CCCc3ccccc32)cc1 ZINC000237980797 1039603500 /nfs/dbraw/zinc/60/35/00/1039603500.db2.gz MHECMGKALMSZRO-HXUWFJFHSA-N 1 0 340.423 4.169 20 5 EIBDRO C[C@H](C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000478383236 1039731856 /nfs/dbraw/zinc/73/18/56/1039731856.db2.gz JUAMUWWLDWJHFM-GFCCVEGCSA-N 1 0 336.794 4.323 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H]3Cc3ccccc3)co2)cc1 ZINC000534842226 1039817752 /nfs/dbraw/zinc/81/77/52/1039817752.db2.gz SGTBIDGFSCKAMX-LJQANCHMSA-N 1 0 349.390 4.067 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1F ZINC000192618506 1039824696 /nfs/dbraw/zinc/82/46/96/1039824696.db2.gz ZBBDPKYAUOBIFM-KZULUSFZSA-N 1 0 344.386 4.471 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)c(F)c1 ZINC000481813909 1039841890 /nfs/dbraw/zinc/84/18/90/1039841890.db2.gz LLOJLPPOHKIAJH-OCCSQVGLSA-N 1 0 332.350 4.299 20 5 EIBDRO Cc1c([C@H](C)[NH2+]CCc2c[nH]c3cc(F)ccc23)cccc1[N+](=O)[O-] ZINC000482123811 1040037974 /nfs/dbraw/zinc/03/79/74/1040037974.db2.gz WQXKFWBOIBBAQM-ZDUSSCGKSA-N 1 0 341.386 4.417 20 5 EIBDRO CCC[N@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000505615746 1040105955 /nfs/dbraw/zinc/10/59/55/1040105955.db2.gz UQGBSPHNEBJZPV-UHFFFAOYSA-N 1 0 344.411 4.024 20 5 EIBDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000159987391 1040296342 /nfs/dbraw/zinc/29/63/42/1040296342.db2.gz UWUIFDVOTDPXJL-ZIAGYGMSSA-N 1 0 344.411 4.332 20 5 EIBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(F)(F)F ZINC000479608244 1040507560 /nfs/dbraw/zinc/50/75/60/1040507560.db2.gz WQBFLEYOPSSLJF-SNVBAGLBSA-N 1 0 328.290 4.143 20 5 EIBDRO CSCCCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000479607025 1040507631 /nfs/dbraw/zinc/50/76/31/1040507631.db2.gz QXESGWHNCFEZRS-UHFFFAOYSA-N 1 0 334.441 4.478 20 5 EIBDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482950089 1040592239 /nfs/dbraw/zinc/59/22/39/1040592239.db2.gz SCRVDHREIXXMOC-HEHGZKQESA-N 1 0 348.468 4.381 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CCCO)c1ccccc1 ZINC000160789427 1040757293 /nfs/dbraw/zinc/75/72/93/1040757293.db2.gz IGBVJBZIRFEIID-DNVCBOLYSA-N 1 0 328.412 4.068 20 5 EIBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000539837347 1040833504 /nfs/dbraw/zinc/83/35/04/1040833504.db2.gz UEPZZLZZFVLXFT-GOSISDBHSA-N 1 0 338.407 4.141 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000483448806 1040855288 /nfs/dbraw/zinc/85/52/88/1040855288.db2.gz NNGFUFAADZSEGG-CQSZACIVSA-N 1 0 330.350 4.314 20 5 EIBDRO CC(C)c1ccc(C[NH2+]C[C@@H](C)Oc2ccccc2F)cc1[N+](=O)[O-] ZINC000462741945 1040874108 /nfs/dbraw/zinc/87/41/08/1040874108.db2.gz USQLFUIILUKDQI-CQSZACIVSA-N 1 0 346.402 4.414 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@H](C)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000462739579 1040885713 /nfs/dbraw/zinc/88/57/13/1040885713.db2.gz OHZDHOVPRVSCJI-MRXNPFEDSA-N 1 0 342.439 4.413 20 5 EIBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)Oc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000483541414 1040887449 /nfs/dbraw/zinc/88/74/49/1040887449.db2.gz GOLKYLFRGUJYHK-OCCSQVGLSA-N 1 0 332.375 4.160 20 5 EIBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C12CCC2 ZINC000462755025 1040890076 /nfs/dbraw/zinc/89/00/76/1040890076.db2.gz SKFQZKZGUCMQCV-ZWKOTPCHSA-N 1 0 332.444 4.156 20 5 EIBDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000483644755 1040926941 /nfs/dbraw/zinc/92/69/41/1040926941.db2.gz FOYLEEXQPLCIGC-LBPRGKRZSA-N 1 0 334.803 4.017 20 5 EIBDRO COc1ccc(O[C@H](C)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000483637423 1040938595 /nfs/dbraw/zinc/93/85/95/1040938595.db2.gz PAYZLBBTBZQUGW-CABCVRRESA-N 1 0 344.411 4.030 20 5 EIBDRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000537978162 1040950580 /nfs/dbraw/zinc/95/05/80/1040950580.db2.gz JAOWJSMMSXQHND-PBHICJAKSA-N 1 0 326.396 4.304 20 5 EIBDRO COC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000537985165 1040962825 /nfs/dbraw/zinc/96/28/25/1040962825.db2.gz VFZDJNJQXHSRIL-GUYCJALGSA-N 1 0 332.375 4.081 20 5 EIBDRO COc1ccc(C(C)(C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000537971905 1040976919 /nfs/dbraw/zinc/97/69/19/1040976919.db2.gz MFXBITFMQGCACB-CQSZACIVSA-N 1 0 328.412 4.232 20 5 EIBDRO CO[C@](C)(C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000462815033 1040988396 /nfs/dbraw/zinc/98/83/96/1040988396.db2.gz BIGBNGGXMMDJCL-VQTJNVASSA-N 1 0 340.423 4.089 20 5 EIBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cn1 ZINC000480160966 1041017244 /nfs/dbraw/zinc/01/72/44/1041017244.db2.gz DZVPJBFZRNWOFG-ZDUSSCGKSA-N 1 0 333.819 4.317 20 5 EIBDRO Cc1ccsc1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000538115167 1041069991 /nfs/dbraw/zinc/06/99/91/1041069991.db2.gz ZWCXLGFBKSWUAS-INIZCTEOSA-N 1 0 330.453 4.118 20 5 EIBDRO C[C@@H]([NH2+]CCOc1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000538180019 1041131238 /nfs/dbraw/zinc/13/12/38/1041131238.db2.gz QHYYINJEVIKYBU-LLVKDONJSA-N 1 0 338.766 4.117 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000538194414 1041159776 /nfs/dbraw/zinc/15/97/76/1041159776.db2.gz JNCQZUGOWWQDKF-GJZGRUSLSA-N 1 0 336.395 4.192 20 5 EIBDRO CCC[C@H]([NH2+][C@H](CO)c1ccc(CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000540147125 1041172341 /nfs/dbraw/zinc/17/23/41/1041172341.db2.gz PFHBXDQVOZKUGP-VQTJNVASSA-N 1 0 342.439 4.322 20 5 EIBDRO CC1(C)CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000484357966 1041214662 /nfs/dbraw/zinc/21/46/62/1041214662.db2.gz RDFXGTRJEMDBGI-ZDUSSCGKSA-N 1 0 334.313 4.144 20 5 EIBDRO CC1(C)CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000484357964 1041215209 /nfs/dbraw/zinc/21/52/09/1041215209.db2.gz RDFXGTRJEMDBGI-CYBMUJFWSA-N 1 0 334.313 4.144 20 5 EIBDRO COC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccc(F)cc1 ZINC000540185412 1041253859 /nfs/dbraw/zinc/25/38/59/1041253859.db2.gz MFCBZLASRDQRIG-SCLBCKFNSA-N 1 0 332.375 4.081 20 5 EIBDRO Cc1c(C[NH2+]CC2CCC(C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000480463136 1041318493 /nfs/dbraw/zinc/31/84/93/1041318493.db2.gz RTHNNXSBDZNUMA-UHFFFAOYSA-N 1 0 330.350 4.362 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ccsc3Cl)c2c1 ZINC000554730400 1041358198 /nfs/dbraw/zinc/35/81/98/1041358198.db2.gz XUIUQGZXZHPAPT-UHFFFAOYSA-N 1 0 335.816 4.123 20 5 EIBDRO CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000540316617 1041364865 /nfs/dbraw/zinc/36/48/65/1041364865.db2.gz ZFUKJPDKZMBCLR-LSDHHAIUSA-N 1 0 327.428 4.224 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000554846066 1041445770 /nfs/dbraw/zinc/44/57/70/1041445770.db2.gz JLOCUNUTMHACGC-CQSZACIVSA-N 1 0 328.334 4.149 20 5 EIBDRO C[C@H]([NH2+]CCC(C)(C)O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000480722182 1041489541 /nfs/dbraw/zinc/48/95/41/1041489541.db2.gz BCSJJLWLOGXAOT-LBPRGKRZSA-N 1 0 334.441 4.135 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516313816 1041515668 /nfs/dbraw/zinc/51/56/68/1041515668.db2.gz XBNFHWPBCWYCRL-WILYLXEWSA-N 1 0 344.386 4.087 20 5 EIBDRO CC[N@H+](CCc1nccs1)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470178737 1041569718 /nfs/dbraw/zinc/56/97/18/1041569718.db2.gz NCEQLGGPQGPCFE-KAMYIIQDSA-N 1 0 331.441 4.019 20 5 EIBDRO COc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000463451709 1041572680 /nfs/dbraw/zinc/57/26/80/1041572680.db2.gz XJQYSVQNODSXSW-OLZOCXBDSA-N 1 0 346.349 4.156 20 5 EIBDRO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595411754 1041615771 /nfs/dbraw/zinc/61/57/71/1041615771.db2.gz SSGIXNWWHFWVDU-ZDUSSCGKSA-N 1 0 332.375 4.372 20 5 EIBDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000437073356 1041635711 /nfs/dbraw/zinc/63/57/11/1041635711.db2.gz GICKCZLZEPZQMU-OCCSQVGLSA-N 1 0 332.366 4.483 20 5 EIBDRO CCC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCOCC1 ZINC000540808499 1041683407 /nfs/dbraw/zinc/68/34/07/1041683407.db2.gz HABBAEUYPUCWPN-UHFFFAOYSA-N 1 0 346.452 4.372 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000463752400 1041740253 /nfs/dbraw/zinc/74/02/53/1041740253.db2.gz YYHJZMXTSSJGOH-RUDMXATFSA-N 1 0 345.402 4.460 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2cc3c(cccc3F)[nH]2)C2CC2)cc1 ZINC000437574387 1041843197 /nfs/dbraw/zinc/84/31/97/1041843197.db2.gz FGOBFHXAZLOJGI-UHFFFAOYSA-N 1 0 339.370 4.380 20 5 EIBDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000506178217 1042060116 /nfs/dbraw/zinc/06/01/16/1042060116.db2.gz IRDPFZZAMHZLDR-KDOFPFPSSA-N 1 0 342.443 4.006 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2cccnc2)C2CCCCC2)cc1 ZINC000609134966 1042090775 /nfs/dbraw/zinc/09/07/75/1042090775.db2.gz HDHABMWQKSUDNJ-IBGZPJMESA-N 1 0 325.412 4.401 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CCCc3c(Cl)cccc32)cc1[N+](=O)[O-] ZINC000541743384 1042092371 /nfs/dbraw/zinc/09/23/71/1042092371.db2.gz NOXSGKKUTOJCKI-MRXNPFEDSA-N 1 0 346.814 4.424 20 5 EIBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCSC1 ZINC000506193670 1042099724 /nfs/dbraw/zinc/09/97/24/1042099724.db2.gz XPHWWUGVNPRENW-GFCCVEGCSA-N 1 0 334.466 4.261 20 5 EIBDRO O=[N+]([O-])c1ccc(NCCCCC[NH+]2CCCCC2)c2ccncc21 ZINC000517661222 1042127526 /nfs/dbraw/zinc/12/75/26/1042127526.db2.gz QFTULKZRHOKUQS-UHFFFAOYSA-N 1 0 342.443 4.211 20 5 EIBDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1C)CCC2 ZINC000518011858 1042311911 /nfs/dbraw/zinc/31/19/11/1042311911.db2.gz VXTQDDXGXHAEFU-MRXNPFEDSA-N 1 0 345.468 4.432 20 5 EIBDRO CC(C)OC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000271819006 1042411014 /nfs/dbraw/zinc/41/10/14/1042411014.db2.gz ZQQCOPKKNWDNNS-AWEZNQCLSA-N 1 0 342.395 4.011 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000271815512 1042412596 /nfs/dbraw/zinc/41/25/96/1042412596.db2.gz BIDKTMZRXRQIKC-LIXBPZJASA-N 1 0 348.349 4.054 20 5 EIBDRO C[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000518279426 1042450563 /nfs/dbraw/zinc/45/05/63/1042450563.db2.gz VGWPQNMAWUUAAB-BBRMVZONSA-N 1 0 346.452 4.371 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2CC(F)(F)C2)s1 ZINC000491560065 1042466392 /nfs/dbraw/zinc/46/63/92/1042466392.db2.gz NJQFDOVDMNKEKJ-UHFFFAOYSA-N 1 0 338.379 4.458 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)[C@@H]1OCCc2sccc21)c1cccc([N+](=O)[O-])c1 ZINC000426310660 1042544064 /nfs/dbraw/zinc/54/40/64/1042544064.db2.gz OTCIELBVJQNASQ-IWEFOYFVSA-N 1 0 346.452 4.400 20 5 EIBDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000426307461 1042546744 /nfs/dbraw/zinc/54/67/44/1042546744.db2.gz REAZJCOSJKKMKU-CRAIPNDOSA-N 1 0 343.402 4.054 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC=C(c3c[nH]c4ccccc34)CC2)cc1 ZINC000492464622 1042659722 /nfs/dbraw/zinc/65/97/22/1042659722.db2.gz LZUHTWQFTFBONZ-UHFFFAOYSA-N 1 0 333.391 4.365 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000518795739 1042696652 /nfs/dbraw/zinc/69/66/52/1042696652.db2.gz CLEJTWXLHCPAIR-MSOLQXFVSA-N 1 0 326.371 4.388 20 5 EIBDRO CC[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1c(C)noc1C ZINC000193052997 1042697209 /nfs/dbraw/zinc/69/72/09/1042697209.db2.gz IKHRTTFKWWXAIC-IAGOWNOFSA-N 1 0 329.400 4.318 20 5 EIBDRO CCOc1cc(C[NH2+][C@@H](C)c2cc(C)cc(C)c2)ccc1[N+](=O)[O-] ZINC000492609400 1042705289 /nfs/dbraw/zinc/70/52/89/1042705289.db2.gz TYBBIQDUILACKJ-HNNXBMFYSA-N 1 0 328.412 4.461 20 5 EIBDRO CC(C)(C)C[C@@H](O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493229421 1042851479 /nfs/dbraw/zinc/85/14/79/1042851479.db2.gz NMPCUHMTTCFQMD-RTBURBONSA-N 1 0 342.439 4.071 20 5 EIBDRO CCOc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000761511257 1042873295 /nfs/dbraw/zinc/87/32/95/1042873295.db2.gz OSMQFHGJPFYGCE-UHFFFAOYSA-N 1 0 334.803 4.279 20 5 EIBDRO Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)CCC2 ZINC000761533488 1042877566 /nfs/dbraw/zinc/87/75/66/1042877566.db2.gz QQGHVYANDJMJKP-LBPRGKRZSA-N 1 0 337.832 4.180 20 5 EIBDRO CC(C)(CCCO)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493249381 1042888947 /nfs/dbraw/zinc/88/89/47/1042888947.db2.gz PRGBKFCVANEJMD-LJQANCHMSA-N 1 0 342.439 4.073 20 5 EIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])CC3 ZINC000493276096 1042890916 /nfs/dbraw/zinc/89/09/16/1042890916.db2.gz FWDBGAMEIJNOQQ-INIZCTEOSA-N 1 0 349.434 4.074 20 5 EIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])CC3 ZINC000493276097 1042891143 /nfs/dbraw/zinc/89/11/43/1042891143.db2.gz FWDBGAMEIJNOQQ-MRXNPFEDSA-N 1 0 349.434 4.074 20 5 EIBDRO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000441638264 1042948081 /nfs/dbraw/zinc/94/80/81/1042948081.db2.gz WVOKCJFVONCTSZ-OAHLLOKOSA-N 1 0 344.415 4.045 20 5 EIBDRO CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CCOC(C)(C)C1 ZINC000579537324 1042955894 /nfs/dbraw/zinc/95/58/94/1042955894.db2.gz CYNVLOYIPGUABA-INIZCTEOSA-N 1 0 334.460 4.498 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000430745550 1043096465 /nfs/dbraw/zinc/09/64/65/1043096465.db2.gz ZUWLZHNCTAJFMN-RYUDHWBXSA-N 1 0 328.359 4.080 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000556545772 1043169419 /nfs/dbraw/zinc/16/94/19/1043169419.db2.gz VDOAJFKKYWHBHJ-OAHLLOKOSA-N 1 0 343.402 4.320 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000073693272 1043231340 /nfs/dbraw/zinc/23/13/40/1043231340.db2.gz YAPUVKMXSYFIDE-NSHDSACASA-N 1 0 340.301 4.344 20 5 EIBDRO CC(C)C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000507997537 1043232325 /nfs/dbraw/zinc/23/23/25/1043232325.db2.gz HWIHAJXFWQESCZ-UHFFFAOYSA-N 1 0 331.441 4.339 20 5 EIBDRO CC1(C)CC[C@@H](C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)O1 ZINC000427978122 1043284633 /nfs/dbraw/zinc/28/46/33/1043284633.db2.gz BHTJGOGBWQCWOB-RBUKOAKNSA-N 1 0 340.423 4.231 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3ncccc3Cl)CC2)cc1 ZINC000429214348 1043348741 /nfs/dbraw/zinc/34/87/41/1043348741.db2.gz XLUAVZHMCWVORD-UHFFFAOYSA-N 1 0 345.830 4.065 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC23CCCC3)cc(C(F)(F)F)c1 ZINC000494475803 1043507117 /nfs/dbraw/zinc/50/71/17/1043507117.db2.gz MWEAVQCXEGSREI-AWEZNQCLSA-N 1 0 328.334 4.426 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCSCC3)s2)cc1 ZINC000171767938 1043673357 /nfs/dbraw/zinc/67/33/57/1043673357.db2.gz PYRFKDVRXAMFIU-UHFFFAOYSA-N 1 0 334.466 4.309 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(C(F)(F)F)s2)cc1 ZINC000428846917 1043814285 /nfs/dbraw/zinc/81/42/85/1043814285.db2.gz DRZDGDYUPBTPAX-UHFFFAOYSA-N 1 0 330.331 4.007 20 5 EIBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000521502269 1043818033 /nfs/dbraw/zinc/81/80/33/1043818033.db2.gz ZFTJQWJWAHYMKS-OAHLLOKOSA-N 1 0 337.807 4.336 20 5 EIBDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000078991213 1043822738 /nfs/dbraw/zinc/82/27/38/1043822738.db2.gz QWOZSZKAIWGQBX-STQMWFEESA-N 1 0 330.384 4.024 20 5 EIBDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173326694 1043894626 /nfs/dbraw/zinc/89/46/26/1043894626.db2.gz OIEJSCUSKNXTMQ-AWEZNQCLSA-N 1 0 341.411 4.184 20 5 EIBDRO COc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc2n1 ZINC000173449363 1043970552 /nfs/dbraw/zinc/97/05/52/1043970552.db2.gz LAUDTAPFIKVZCC-ZDUSSCGKSA-N 1 0 337.379 4.002 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-n2cccn2)cc1 ZINC000173456643 1043976221 /nfs/dbraw/zinc/97/62/21/1043976221.db2.gz CXPPIQXTTVQUFQ-HUUCEWRRSA-N 1 0 336.395 4.192 20 5 EIBDRO CC[C@@](C)([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000173947332 1044200565 /nfs/dbraw/zinc/20/05/65/1044200565.db2.gz VKDLACUHFVNHRE-QGZVFWFLSA-N 1 0 349.456 4.044 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000466343097 1044295997 /nfs/dbraw/zinc/29/59/97/1044295997.db2.gz IJHCVSOPAIYFTM-GUDVDZBRSA-N 1 0 346.471 4.102 20 5 EIBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000042295635 1044311383 /nfs/dbraw/zinc/31/13/83/1044311383.db2.gz RBSWUZUDJIJNOW-NSHDSACASA-N 1 0 335.201 4.208 20 5 EIBDRO CCC[C@@H](NCc1nccn1CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000164808864 1044510240 /nfs/dbraw/zinc/51/02/40/1044510240.db2.gz CBIUAJTVJQTLNG-QGZVFWFLSA-N 1 0 330.432 4.078 20 5 EIBDRO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000301970629 1044529706 /nfs/dbraw/zinc/52/97/06/1044529706.db2.gz DVXYYXGKLROEEG-SJLPKXTDSA-N 1 0 347.365 4.039 20 5 EIBDRO CCC[C@@H]([NH2+][C@H](CO)c1sccc1C)c1cccc([N+](=O)[O-])c1 ZINC000358375942 1044551340 /nfs/dbraw/zinc/55/13/40/1044551340.db2.gz HWGDAHRWAQAULQ-HZPDHXFCSA-N 1 0 334.441 4.129 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2cc(Br)cs2)cc1[N+](=O)[O-] ZINC000069710439 1044566013 /nfs/dbraw/zinc/56/60/13/1044566013.db2.gz LJCMWEIDPRCFTF-UHFFFAOYSA-N 1 0 341.230 4.017 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000466478946 1044592175 /nfs/dbraw/zinc/59/21/75/1044592175.db2.gz NDGOBNYYGURCLC-UHFFFAOYSA-N 1 0 334.778 4.423 20 5 EIBDRO CC(C)c1ccc(C[NH+]2CCC(OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000092454238 1044760734 /nfs/dbraw/zinc/76/07/34/1044760734.db2.gz VMQDWVNUSFWFPD-UHFFFAOYSA-N 1 0 334.460 4.498 20 5 EIBDRO CC(C)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000428865827 1044776420 /nfs/dbraw/zinc/77/64/20/1044776420.db2.gz HJQMFAUVGFKQQT-OAHLLOKOSA-N 1 0 341.411 4.005 20 5 EIBDRO Cc1nc(C)c([C@@H](C)[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])s1 ZINC000093274874 1044827478 /nfs/dbraw/zinc/82/74/78/1044827478.db2.gz LGNGVWOBHYHUGD-BUUCAEBMSA-N 1 0 331.441 4.374 20 5 EIBDRO C[C@@H]1C[C@@H](CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@H](C)O1 ZINC000555225637 1044830440 /nfs/dbraw/zinc/83/04/40/1044830440.db2.gz MYXBUHSRGMKCAC-RCJHGTSTSA-N 1 0 346.471 4.099 20 5 EIBDRO COc1ccc(CCC[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000735491636 1044832936 /nfs/dbraw/zinc/83/29/36/1044832936.db2.gz NUBFYIKDOAYMIK-UHFFFAOYSA-N 1 0 348.830 4.321 20 5 EIBDRO CCS[C@H]1CCCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000735493295 1044832969 /nfs/dbraw/zinc/83/29/69/1044832969.db2.gz OCAORVVGLCEKPO-AWEZNQCLSA-N 1 0 328.865 4.356 20 5 EIBDRO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000154972351 1044852679 /nfs/dbraw/zinc/85/26/79/1044852679.db2.gz QDGCQOISVMWAJQ-WMLDXEAASA-N 1 0 345.468 4.144 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC000716233014 1044852991 /nfs/dbraw/zinc/85/29/91/1044852991.db2.gz TYZRNLKQBIXQFC-QFBILLFUSA-N 1 0 339.439 4.226 20 5 EIBDRO CCC[C@H]([NH2+]Cc1ccc(COC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000124422918 1044858651 /nfs/dbraw/zinc/85/86/51/1044858651.db2.gz VHOOMILUGMJPSU-IBGZPJMESA-N 1 0 328.412 4.372 20 5 EIBDRO CCC(CC)(CNc1ccc([N+](=O)[O-])cn1)[NH2+][C@H](C)c1ccccc1 ZINC000495318523 1044877141 /nfs/dbraw/zinc/87/71/41/1044877141.db2.gz BBCJIICHYBIOEA-OAHLLOKOSA-N 1 0 342.443 4.311 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1NCc1ccccc1C[NH+]1CCCC1 ZINC000302811713 1044912831 /nfs/dbraw/zinc/91/28/31/1044912831.db2.gz XMAZSUHCFZLAEC-UHFFFAOYSA-N 1 0 345.830 4.456 20 5 EIBDRO C[C@H]1C[C@H](Nc2sccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000302032185 1045155129 /nfs/dbraw/zinc/15/51/29/1045155129.db2.gz SMYYEOQBLLEENJ-DZGCQCFKSA-N 1 0 331.441 4.121 20 5 EIBDRO Cc1cc(N2C[C@@H](C)C[C@@H]2c2cccnc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302153636 1045164235 /nfs/dbraw/zinc/16/42/35/1045164235.db2.gz VDFLGJRLTNBEON-ORAYPTAESA-N 1 0 348.406 4.434 20 5 EIBDRO Cc1noc(C)c1C[C@@H](C)Nc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302208022 1045167301 /nfs/dbraw/zinc/16/73/01/1045167301.db2.gz XPEXWJJSKNATDU-SNVBAGLBSA-N 1 0 340.383 4.099 20 5 EIBDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000740007079 1045174282 /nfs/dbraw/zinc/17/42/82/1045174282.db2.gz RKYATKASPABCCU-JLTOFOAXSA-N 1 0 325.477 4.195 20 5 EIBDRO CCc1nc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)cs1 ZINC000302703012 1045192874 /nfs/dbraw/zinc/19/28/74/1045192874.db2.gz XWESBUJVYJSLKZ-UHFFFAOYSA-N 1 0 328.397 4.082 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](c3ccco3)C2)o1 ZINC000611271288 1045272273 /nfs/dbraw/zinc/27/22/73/1045272273.db2.gz LPBFIDPLVBXXEX-CQSZACIVSA-N 1 0 338.363 4.437 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cnccc2C)cc1[N+](=O)[O-] ZINC000611299980 1045277105 /nfs/dbraw/zinc/27/71/05/1045277105.db2.gz WQAQYKLSGXFCML-ZIAGYGMSSA-N 1 0 329.400 4.109 20 5 EIBDRO CCC1(O)CCC([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000611314630 1045279501 /nfs/dbraw/zinc/27/95/01/1045279501.db2.gz WBORSXYUIUBOID-UHFFFAOYSA-N 1 0 344.411 4.028 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](c1cnn(C)c1)C(C)(C)C ZINC000611409288 1045302738 /nfs/dbraw/zinc/30/27/38/1045302738.db2.gz IOLYYIQDHUPQFX-RDTXWAMCSA-N 1 0 344.459 4.026 20 5 EIBDRO CC[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCCCC1 ZINC000611433649 1045308815 /nfs/dbraw/zinc/30/88/15/1045308815.db2.gz HPTDUEMPXUJADB-INIZCTEOSA-N 1 0 347.459 4.180 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000611515616 1045320384 /nfs/dbraw/zinc/32/03/84/1045320384.db2.gz HCRBTJQTRCRNFZ-UZLBHIALSA-N 1 0 340.423 4.428 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)SC ZINC000768105057 1045715122 /nfs/dbraw/zinc/71/51/22/1045715122.db2.gz YZNHLRPCBHRYIQ-LBPRGKRZSA-N 1 0 328.503 4.197 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)SC ZINC000768105056 1045716201 /nfs/dbraw/zinc/71/62/01/1045716201.db2.gz YZNHLRPCBHRYIQ-GFCCVEGCSA-N 1 0 328.503 4.197 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000194350770 1045719861 /nfs/dbraw/zinc/71/98/61/1045719861.db2.gz PYCAXQRBVSGKTL-CHWSQXEVSA-N 1 0 330.384 4.024 20 5 EIBDRO CCC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000768541561 1045817776 /nfs/dbraw/zinc/81/77/76/1045817776.db2.gz IXWYFZKKELBCNG-AWEZNQCLSA-N 1 0 326.824 4.029 20 5 EIBDRO NC(=O)CC[C@H]1CCC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000769187985 1045890557 /nfs/dbraw/zinc/89/05/57/1045890557.db2.gz DCYQWKXZPILQOS-QGZVFWFLSA-N 1 0 346.474 4.471 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cc(Cl)ccc2C)c([N+](=O)[O-])c1 ZINC001170295779 1045980155 /nfs/dbraw/zinc/98/01/55/1045980155.db2.gz FCEZVLZYDDGNAG-ZDUSSCGKSA-N 1 0 348.830 4.286 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC001170315279 1045997119 /nfs/dbraw/zinc/99/71/19/1045997119.db2.gz WKEIFNWOCOHWPQ-SCLBCKFNSA-N 1 0 346.402 4.414 20 5 EIBDRO COc1ccc(C[C@H](C)[N@@H+]2CCc3ccccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170327243 1046000042 /nfs/dbraw/zinc/00/00/42/1046000042.db2.gz GILACEBAQFNVAX-GJZGRUSLSA-N 1 0 340.423 4.154 20 5 EIBDRO CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170353451 1046011748 /nfs/dbraw/zinc/01/17/48/1046011748.db2.gz YJIJSHSLAQIZEJ-AWEZNQCLSA-N 1 0 346.402 4.196 20 5 EIBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC001170348040 1046022965 /nfs/dbraw/zinc/02/29/65/1046022965.db2.gz VGIUJLFQDJMDKK-BEFAXECRSA-N 1 0 340.423 4.372 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000152523560 1046100207 /nfs/dbraw/zinc/10/02/07/1046100207.db2.gz QUXLADCTHPPKMO-DLBZAZTESA-N 1 0 339.439 4.080 20 5 EIBDRO COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000747100359 1046137737 /nfs/dbraw/zinc/13/77/37/1046137737.db2.gz ZATZZHCKYQLTKH-CABCVRRESA-N 1 0 328.412 4.194 20 5 EIBDRO CCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](O)c1ccccc1 ZINC000793241746 1046188097 /nfs/dbraw/zinc/18/80/97/1046188097.db2.gz XHPORMNUYCBINZ-ZWKOTPCHSA-N 1 0 348.830 4.240 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c(OC)c1 ZINC000154182788 1046358271 /nfs/dbraw/zinc/35/82/71/1046358271.db2.gz OFTFQVVNKXAPKL-KBPBESRZSA-N 1 0 344.411 4.332 20 5 EIBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC1CCC([NH+]2CCCCC2)CC1 ZINC000804538058 1046592975 /nfs/dbraw/zinc/59/29/75/1046592975.db2.gz JSDJFMWLSKOJQS-UHFFFAOYSA-N 1 0 345.443 4.006 20 5 EIBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000536669400 1046618181 /nfs/dbraw/zinc/61/81/81/1046618181.db2.gz BBCSBTCDRCCQQG-WFASDCNBSA-N 1 0 331.441 4.339 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)cs2)c1 ZINC000536667821 1046646280 /nfs/dbraw/zinc/64/62/80/1046646280.db2.gz DZNQKYCRWCSVLP-GASCZTMLSA-N 1 0 343.452 4.340 20 5 EIBDRO COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000536844963 1046817849 /nfs/dbraw/zinc/81/78/49/1046817849.db2.gz KMAQBTSVKJTTCH-LSDHHAIUSA-N 1 0 328.412 4.133 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]CCCc2cccs2)cc1[N+](=O)[O-] ZINC000536847850 1046821037 /nfs/dbraw/zinc/82/10/37/1046821037.db2.gz WXXUVDLIJYRYSL-CYBMUJFWSA-N 1 0 334.441 4.338 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000459652346 1046838279 /nfs/dbraw/zinc/83/82/79/1046838279.db2.gz QIDKHJRPBQGZTJ-CHWSQXEVSA-N 1 0 345.468 4.212 20 5 EIBDRO COC1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000459668326 1046848845 /nfs/dbraw/zinc/84/88/45/1046848845.db2.gz CARMEHQBHKLAFX-UHFFFAOYSA-N 1 0 346.452 4.371 20 5 EIBDRO CC[C@H](C)[N@@H+](Cc1ccccc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000917454459 1046895891 /nfs/dbraw/zinc/89/58/91/1046895891.db2.gz IBRSGZQYSDCDMZ-HNNXBMFYSA-N 1 0 338.411 4.203 20 5 EIBDRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000746713915 1047067020 /nfs/dbraw/zinc/06/70/20/1047067020.db2.gz YEFZBLUHBBERQE-ROUUACIJSA-N 1 0 342.443 4.024 20 5 EIBDRO COc1ccc([C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000537288181 1047094500 /nfs/dbraw/zinc/09/45/00/1047094500.db2.gz MAUILSQKOZPLKL-YJYMSZOUSA-N 1 0 326.396 4.405 20 5 EIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000917831927 1047159083 /nfs/dbraw/zinc/15/90/83/1047159083.db2.gz VGUSJMKORAUPDD-QGZVFWFLSA-N 1 0 332.350 4.080 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)cc1F ZINC000788475621 1047199473 /nfs/dbraw/zinc/19/94/73/1047199473.db2.gz HBNIFFQVNPUCMN-MRXNPFEDSA-N 1 0 332.350 4.080 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(-c2cccnc2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788610844 1047232640 /nfs/dbraw/zinc/23/26/40/1047232640.db2.gz MGNHBKXHUXJERV-AWEZNQCLSA-N 1 0 348.406 4.090 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2CCc3ccc(Cl)nc32)cc1 ZINC000788666141 1047267833 /nfs/dbraw/zinc/26/78/33/1047267833.db2.gz QIFNWRICTZBWLF-INIZCTEOSA-N 1 0 345.830 4.243 20 5 EIBDRO CSc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788814890 1047315840 /nfs/dbraw/zinc/31/58/40/1047315840.db2.gz NOUCEFHQTYLCPR-NEPJUHHUSA-N 1 0 331.441 4.311 20 5 EIBDRO CC(C)c1ccc(C[NH2+]C[C@@H](O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000918197676 1047367276 /nfs/dbraw/zinc/36/72/76/1047367276.db2.gz LGINXVXJDWKDJT-GOSISDBHSA-N 1 0 348.830 4.195 20 5 EIBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1 ZINC000327773342 1047399743 /nfs/dbraw/zinc/39/97/43/1047399743.db2.gz WKKPRSSCHDHCBP-GOSISDBHSA-N 1 0 343.427 4.098 20 5 EIBDRO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000556132942 1047485288 /nfs/dbraw/zinc/48/52/88/1047485288.db2.gz UWVFVPMGONKCTR-VPWXQRGCSA-N 1 0 339.439 4.081 20 5 EIBDRO COc1cccc(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000498671862 1047806577 /nfs/dbraw/zinc/80/65/77/1047806577.db2.gz PFMYOHCDSFMOJK-UHFFFAOYSA-N 1 0 340.423 4.026 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ccc4c(c3)COC4)C2)cc1 ZINC000824820818 1047964704 /nfs/dbraw/zinc/96/47/04/1047964704.db2.gz OBCWIZGWJAPHKD-KRWDZBQOSA-N 1 0 338.407 4.005 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cccc(F)n3)s2)cc1 ZINC000747936740 1047997433 /nfs/dbraw/zinc/99/74/33/1047997433.db2.gz ZGENZOMIGRBWIS-UHFFFAOYSA-N 1 0 343.383 4.147 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H](O)c1ccccc1 ZINC000808721193 1048068670 /nfs/dbraw/zinc/06/86/70/1048068670.db2.gz JGURAIHAAJCEOH-BKTGTZMESA-N 1 0 340.423 4.029 20 5 EIBDRO Cc1ccc(C)n1C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000499068376 1048145013 /nfs/dbraw/zinc/14/50/13/1048145013.db2.gz IPKYEKGXYUAMNK-MRXNPFEDSA-N 1 0 327.428 4.411 20 5 EIBDRO OC[C@H]1C[NH2+]C[C@H]1Nc1c2ccccc2cc2c3ccccc3ccc21 ZINC001170785629 1048467894 /nfs/dbraw/zinc/46/78/94/1048467894.db2.gz YGTNMXXUCWSQHF-VGOFRKELSA-N 1 0 342.442 4.138 20 5 EIBDRO COc1ccc([C@H](C)CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000815583350 1048521070 /nfs/dbraw/zinc/52/10/70/1048521070.db2.gz CYLFYLWBYQJHRO-KGLIPLIRSA-N 1 0 343.427 4.030 20 5 EIBDRO C[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)Sc1ccccc1 ZINC000815585117 1048523024 /nfs/dbraw/zinc/52/30/24/1048523024.db2.gz YSVHFNNSLKCPEG-CHWSQXEVSA-N 1 0 331.441 4.008 20 5 EIBDRO C[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815587300 1048525325 /nfs/dbraw/zinc/52/53/25/1048525325.db2.gz GITDADVTFNRVNR-GVXVVHGQSA-N 1 0 345.365 4.196 20 5 EIBDRO O=[N+]([O-])c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000301226738 1048727433 /nfs/dbraw/zinc/72/74/33/1048727433.db2.gz BZUDLWDKHLOVSZ-CTXDPNEZSA-N 1 0 337.423 4.202 20 5 EIBDRO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001171266617 1049003788 /nfs/dbraw/zinc/00/37/88/1049003788.db2.gz IUFTXCIKZHACQU-LJQANCHMSA-N 1 0 340.423 4.242 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000811484165 1049080176 /nfs/dbraw/zinc/08/01/76/1049080176.db2.gz RFUFZYAPQIMHIT-VIFPVBQESA-N 1 0 325.142 4.179 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCC[C@H]1CCCCO1 ZINC000811490970 1049086448 /nfs/dbraw/zinc/08/64/48/1049086448.db2.gz WWPFRIFYZKNBEZ-CYBMUJFWSA-N 1 0 347.242 4.341 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000811478941 1049097894 /nfs/dbraw/zinc/09/78/94/1049097894.db2.gz SWMLXLQQBSMNEU-NSHDSACASA-N 1 0 337.206 4.331 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC1CCSCC1 ZINC000811480283 1049098961 /nfs/dbraw/zinc/09/89/61/1049098961.db2.gz SMEQTEKYOCUGOC-UHFFFAOYSA-N 1 0 335.256 4.134 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000806146429 1049103277 /nfs/dbraw/zinc/10/32/77/1049103277.db2.gz AQAVNAKVWGKNFV-BXUZGUMPSA-N 1 0 331.803 4.290 20 5 EIBDRO Cc1ccc(C[NH2+]CCOc2ccccc2C(C)C)cc1[N+](=O)[O-] ZINC000609544875 1049146943 /nfs/dbraw/zinc/14/69/43/1049146943.db2.gz RNTHWSDXZWMGGZ-UHFFFAOYSA-N 1 0 328.412 4.195 20 5 EIBDRO CC[NH+](CC)Cc1cccc(CNc2ncc([N+](=O)[O-])cc2Cl)c1 ZINC000609894774 1049387720 /nfs/dbraw/zinc/38/77/20/1049387720.db2.gz SLPUPAVRDMZJME-UHFFFAOYSA-N 1 0 348.834 4.097 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000773010073 1049524851 /nfs/dbraw/zinc/52/48/51/1049524851.db2.gz FUJVQLFNKAIYEL-MSOLQXFVSA-N 1 0 348.830 4.413 20 5 EIBDRO CCC[C@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000773010076 1049525245 /nfs/dbraw/zinc/52/52/45/1049525245.db2.gz FUJVQLFNKAIYEL-ZWKOTPCHSA-N 1 0 348.830 4.413 20 5 EIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812882193 1049620534 /nfs/dbraw/zinc/62/05/34/1049620534.db2.gz MTNNRCZDUCGEBQ-YPMHNXCESA-N 1 0 334.313 4.287 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(c2cccc(C)c2)CCC1 ZINC001171502340 1049739831 /nfs/dbraw/zinc/73/98/31/1049739831.db2.gz WBACBLMGJPJLRN-UHFFFAOYSA-N 1 0 326.396 4.081 20 5 EIBDRO CC1=Nc2ccccc2C12CC[NH+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC001171666260 1049772305 /nfs/dbraw/zinc/77/23/05/1049772305.db2.gz LSLAXAOBIGTOOF-UHFFFAOYSA-N 1 0 349.434 4.277 20 5 EIBDRO C[C@@H](CSc1ccccc1)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001171772412 1049793497 /nfs/dbraw/zinc/79/34/97/1049793497.db2.gz MZXDBCNGXNYUTP-ZDUSSCGKSA-N 1 0 334.416 4.347 20 5 EIBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000617210279 1049967486 /nfs/dbraw/zinc/96/74/86/1049967486.db2.gz IGWWMBQHCOMKCW-QGZVFWFLSA-N 1 0 342.395 4.036 20 5 EIBDRO CC(C)C[N@@H+]1CC[C@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC001185793845 1050160948 /nfs/dbraw/zinc/16/09/48/1050160948.db2.gz VJSNKEBKVYYCBA-LLVKDONJSA-N 1 0 346.258 4.291 20 5 EIBDRO [NH3+]Cc1cc2ccccc2n1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898631 1050202782 /nfs/dbraw/zinc/20/27/82/1050202782.db2.gz IDJBBEJNQMIBPK-KRWDZBQOSA-N 1 0 335.407 4.128 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1CCC(F)(F)CC1)CC2 ZINC001172898948 1050203796 /nfs/dbraw/zinc/20/37/96/1050203796.db2.gz JXEHPRLLRKQPKJ-MRXNPFEDSA-N 1 0 338.398 4.257 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCc1ccc(Cl)cc1)CC2 ZINC001172897651 1050203926 /nfs/dbraw/zinc/20/39/26/1050203926.db2.gz BYPIXNNQCNGATQ-GOSISDBHSA-N 1 0 344.842 4.328 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCCc1ccccc1F)CC2 ZINC001172900870 1050205120 /nfs/dbraw/zinc/20/51/20/1050205120.db2.gz GZLWWKVUQJDYIT-GOSISDBHSA-N 1 0 342.414 4.204 20 5 EIBDRO CSc1ccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1 ZINC001172900648 1050205363 /nfs/dbraw/zinc/20/53/63/1050205363.db2.gz XJAQIBUIWFCCHV-QGZVFWFLSA-N 1 0 342.464 4.354 20 5 EIBDRO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900477 1050205713 /nfs/dbraw/zinc/20/57/13/1050205713.db2.gz UDJYDYBWOTWSTG-WMLDXEAASA-N 1 0 340.423 4.202 20 5 EIBDRO Cn1ccc2ccc(C[NH2+][C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)cc21 ZINC001172906238 1050206439 /nfs/dbraw/zinc/20/64/39/1050206439.db2.gz NEFQPFVJKQKUHR-LJQANCHMSA-N 1 0 349.434 4.124 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)CC2 ZINC001172908105 1050206768 /nfs/dbraw/zinc/20/67/68/1050206768.db2.gz WVRDMJDVVVYJBQ-CZUORRHYSA-N 1 0 338.398 4.257 20 5 EIBDRO Cn1cc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c2ccccc21 ZINC001172895917 1050230998 /nfs/dbraw/zinc/23/09/98/1050230998.db2.gz JHAPXOXRACBTSM-SFHVURJKSA-N 1 0 349.434 4.124 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCc3ccc(F)cc31)CC2 ZINC001172910737 1050244673 /nfs/dbraw/zinc/24/46/73/1050244673.db2.gz CFMSZXWGMPCLDZ-XLIONFOSSA-N 1 0 340.398 4.258 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001186285232 1050282686 /nfs/dbraw/zinc/28/26/86/1050282686.db2.gz OWCVXGOFGDKVLE-OAHLLOKOSA-N 1 0 337.851 4.457 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000090844837 1050287044 /nfs/dbraw/zinc/28/70/44/1050287044.db2.gz OGFMDQILCKPSLN-VBQJREDUSA-N 1 0 326.396 4.119 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCCCC2(C)C)c1F ZINC001173177481 1050335118 /nfs/dbraw/zinc/33/51/18/1050335118.db2.gz ATBISKHSPVKCQD-MLGOLLRUSA-N 1 0 338.423 4.232 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C)c2ccc(C)cc2)c1F ZINC001173176629 1050335398 /nfs/dbraw/zinc/33/53/98/1050335398.db2.gz KZKBEYBDQYWZAP-UONOGXRCSA-N 1 0 346.402 4.333 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCC2CCCCC2)c1F ZINC001173178121 1050335659 /nfs/dbraw/zinc/33/56/59/1050335659.db2.gz IXHPDXSYVQGAMG-CYBMUJFWSA-N 1 0 338.423 4.234 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CCC(C)(C)CC2)c1F ZINC001173184490 1050337596 /nfs/dbraw/zinc/33/75/96/1050337596.db2.gz QPONQDPIBVPFEV-LBPRGKRZSA-N 1 0 338.423 4.232 20 5 EIBDRO CCC[N@H+](CC(C)C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194285 1050340770 /nfs/dbraw/zinc/34/07/70/1050340770.db2.gz ZBZDBLYARUTQNH-CYBMUJFWSA-N 1 0 326.412 4.042 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2c(C)cccc2C)c1F ZINC001173193421 1050340881 /nfs/dbraw/zinc/34/08/81/1050340881.db2.gz VJXCSTDLMCDNGY-AWEZNQCLSA-N 1 0 346.402 4.080 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC001173215690 1050350431 /nfs/dbraw/zinc/35/04/31/1050350431.db2.gz YORYMHQDEYSZCS-KKSFZXQISA-N 1 0 347.418 4.300 20 5 EIBDRO COc1ccc(C2([NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)CCC2)cc1 ZINC001173220530 1050353089 /nfs/dbraw/zinc/35/30/89/1050353089.db2.gz FRWJEORKTJPYCO-OAHLLOKOSA-N 1 0 340.423 4.203 20 5 EIBDRO COc1ccccc1[C@@H]1CCC[N@@H+]1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173228386 1050356923 /nfs/dbraw/zinc/35/69/23/1050356923.db2.gz VUBKVNUUGZEYHH-KXBFYZLASA-N 1 0 340.423 4.372 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001173224951 1050357107 /nfs/dbraw/zinc/35/71/07/1050357107.db2.gz AASMJKPGVIJDIZ-OXQOHEQNSA-N 1 0 340.423 4.069 20 5 EIBDRO COc1ccccc1C[C@@H](C)[N@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231865 1050359288 /nfs/dbraw/zinc/35/92/88/1050359288.db2.gz OEOCZKLIINSKNS-HZPDHXFCSA-N 1 0 342.439 4.097 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC001173230702 1050360441 /nfs/dbraw/zinc/36/04/41/1050360441.db2.gz ZNZPZJDNXVLHDL-CYBMUJFWSA-N 1 0 330.815 4.238 20 5 EIBDRO CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230729 1050360579 /nfs/dbraw/zinc/36/05/79/1050360579.db2.gz FAAFRKUKPWGCBO-OAHLLOKOSA-N 1 0 328.412 4.057 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C(C)(C)Cc1ccccc1 ZINC001173233820 1050362031 /nfs/dbraw/zinc/36/20/31/1050362031.db2.gz ZFJIDAUKLNTIOH-INIZCTEOSA-N 1 0 326.440 4.479 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC001173235405 1050363520 /nfs/dbraw/zinc/36/35/20/1050363520.db2.gz SMZAGJWDEPNFGL-CQSZACIVSA-N 1 0 340.423 4.029 20 5 EIBDRO CCCC[N@H+](C)C[C@@H](C)Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001186612619 1050369357 /nfs/dbraw/zinc/36/93/57/1050369357.db2.gz RTEIEFFHLCGDFK-SNVBAGLBSA-N 1 0 334.247 4.434 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(CC2CCC2)c1 ZINC001178294834 1050431026 /nfs/dbraw/zinc/43/10/26/1050431026.db2.gz CHHSBKDHUHCZQC-UHFFFAOYSA-N 1 0 340.423 4.236 20 5 EIBDRO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001186906717 1050446345 /nfs/dbraw/zinc/44/63/45/1050446345.db2.gz VTAFWAZYUPOADS-IXDOHACOSA-N 1 0 339.439 4.083 20 5 EIBDRO CC1(C)CCC[C@@H]1C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001178783437 1050553644 /nfs/dbraw/zinc/55/36/44/1050553644.db2.gz PXOSPNWJRFWJCL-LLVKDONJSA-N 1 0 341.249 4.273 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000618986683 1050612031 /nfs/dbraw/zinc/61/20/31/1050612031.db2.gz LZXOUUCDMDIIPQ-KDOFPFPSSA-N 1 0 344.455 4.399 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc2occc2c1 ZINC001179106802 1050635854 /nfs/dbraw/zinc/63/58/54/1050635854.db2.gz WOEYAZRCVQWUAG-UHFFFAOYSA-N 1 0 326.352 4.030 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)cc1[N+](=O)[O-] ZINC001179385537 1050686697 /nfs/dbraw/zinc/68/66/97/1050686697.db2.gz BAMQDJPUZVWNER-UHFFFAOYSA-N 1 0 343.333 4.019 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@H]43)o2)c([N+](=O)[O-])c1 ZINC001179768871 1050765561 /nfs/dbraw/zinc/76/55/61/1050765561.db2.gz ZDQDJVRDQYTCLV-SRCQZFHVSA-N 1 0 342.395 4.142 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3C[C@@H]4CCC[C@H]34)o2)c([N+](=O)[O-])c1 ZINC001179768873 1050765657 /nfs/dbraw/zinc/76/56/57/1050765657.db2.gz ZDQDJVRDQYTCLV-YLQAJVPDSA-N 1 0 342.395 4.142 20 5 EIBDRO CC(C)(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Oc1ccccc1 ZINC001179909618 1050831660 /nfs/dbraw/zinc/83/16/60/1050831660.db2.gz PZVPYQSGUIOULN-UHFFFAOYSA-N 1 0 340.423 4.417 20 5 EIBDRO CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001180092177 1050865498 /nfs/dbraw/zinc/86/54/98/1050865498.db2.gz KJMYLPGZUYFTNZ-OXQOHEQNSA-N 1 0 344.455 4.430 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000182935431 1050908795 /nfs/dbraw/zinc/90/87/95/1050908795.db2.gz HCBHCGIUHNYNLD-QWHCGFSZSA-N 1 0 344.415 4.264 20 5 EIBDRO CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC001180348765 1050961354 /nfs/dbraw/zinc/96/13/54/1050961354.db2.gz BJNVVATUXXVGAO-DOTOQJQBSA-N 1 0 340.851 4.322 20 5 EIBDRO Cc1cccc(C[C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001180349995 1050965003 /nfs/dbraw/zinc/96/50/03/1050965003.db2.gz SBIWGXDBBXJOJG-CQSZACIVSA-N 1 0 332.831 4.320 20 5 EIBDRO CC(C)(O)c1cncc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)c1 ZINC001174593888 1051075878 /nfs/dbraw/zinc/07/58/78/1051075878.db2.gz PKZSNPWYNFGTSV-UHFFFAOYSA-N 1 0 344.418 4.336 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000183512604 1051137177 /nfs/dbraw/zinc/13/71/77/1051137177.db2.gz AJSJHWMKOOZLFH-JBBXEZCESA-N 1 0 346.814 4.429 20 5 EIBDRO Cc1ccccc1[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001190407495 1051176811 /nfs/dbraw/zinc/17/68/11/1051176811.db2.gz OSLJRJKNLRCUFA-LJQANCHMSA-N 1 0 326.396 4.119 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCc1ccccc1)C(C)C ZINC001190582513 1051226716 /nfs/dbraw/zinc/22/67/16/1051226716.db2.gz YPWXNUCNMPOMMN-UHFFFAOYSA-N 1 0 328.412 4.057 20 5 EIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](c3ccccc3)CC2)c1 ZINC001190781756 1051277387 /nfs/dbraw/zinc/27/73/87/1051277387.db2.gz XVYIXJYZNAFCDT-SFHVURJKSA-N 1 0 340.423 4.243 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000775422601 1051307685 /nfs/dbraw/zinc/30/76/85/1051307685.db2.gz XVZIMRCFMATFNU-KDOFPFPSSA-N 1 0 346.814 4.116 20 5 EIBDRO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000183724895 1051328739 /nfs/dbraw/zinc/32/87/39/1051328739.db2.gz HSYKIVKDHMKKCP-CQSZACIVSA-N 1 0 337.379 4.443 20 5 EIBDRO C[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC001191212860 1051386403 /nfs/dbraw/zinc/38/64/03/1051386403.db2.gz DAAMLNLHMNCYKF-CRAIPNDOSA-N 1 0 344.411 4.430 20 5 EIBDRO COc1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC001191542208 1051480237 /nfs/dbraw/zinc/48/02/37/1051480237.db2.gz YWFUKOMDXHUAOT-FQEVSTJZSA-N 1 0 340.423 4.359 20 5 EIBDRO COc1ccc(OCC[N@H+](C(C)C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001191871809 1051575339 /nfs/dbraw/zinc/57/53/39/1051575339.db2.gz WSEZAGGNYKEGRD-UHFFFAOYSA-N 1 0 336.432 4.025 20 5 EIBDRO CC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001182843307 1051713322 /nfs/dbraw/zinc/71/33/22/1051713322.db2.gz CIEXJAZYHYKEIA-OAHLLOKOSA-N 1 0 336.794 4.498 20 5 EIBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001192745088 1051800741 /nfs/dbraw/zinc/80/07/41/1051800741.db2.gz LNZVDKBIXBLOIU-ACJLOTCBSA-N 1 0 348.830 4.422 20 5 EIBDRO COc1ccc([C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC001192871043 1051819837 /nfs/dbraw/zinc/81/98/37/1051819837.db2.gz YBMYKKCYKRRDPX-LJQANCHMSA-N 1 0 328.412 4.133 20 5 EIBDRO Cc1csc([C@H]2CC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC001175946757 1051863903 /nfs/dbraw/zinc/86/39/03/1051863903.db2.gz LWKJQKPKVZFUAQ-KBPBESRZSA-N 1 0 331.441 4.219 20 5 EIBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001193081221 1051864829 /nfs/dbraw/zinc/86/48/29/1051864829.db2.gz NJGYBMVIDOOJNJ-RDJZCZTQSA-N 1 0 347.459 4.180 20 5 EIBDRO C[C@H]([NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C)c1ccccc1[N+](=O)[O-] ZINC001183652845 1051878362 /nfs/dbraw/zinc/87/83/62/1051878362.db2.gz WEGQTCRKEIXZMF-JVPBZIDWSA-N 1 0 340.423 4.492 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001183847045 1051905531 /nfs/dbraw/zinc/90/55/31/1051905531.db2.gz XQFBYYCTFYPHNQ-MISXGVKJSA-N 1 0 328.334 4.139 20 5 EIBDRO CC(C)(CC1CCCCCC1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001193472575 1051928740 /nfs/dbraw/zinc/92/87/40/1051928740.db2.gz IQGBHCVHVCGUSX-SFHVURJKSA-N 1 0 334.460 4.357 20 5 EIBDRO C[C@@H](C[NH2+]CC(C)(C)Oc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001184046897 1051946384 /nfs/dbraw/zinc/94/63/84/1051946384.db2.gz YFMFMNJMZCMPAZ-HNNXBMFYSA-N 1 0 328.412 4.146 20 5 EIBDRO COc1ccc(Nc2cccc(C[NH+]3CCCCC3)c2)cc1[N+](=O)[O-] ZINC001176362835 1052040803 /nfs/dbraw/zinc/04/08/03/1052040803.db2.gz JITVQIPWFVLQKB-UHFFFAOYSA-N 1 0 341.411 4.333 20 5 EIBDRO Cc1ccc([C@@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)c(C)c1 ZINC001194074097 1052071230 /nfs/dbraw/zinc/07/12/30/1052071230.db2.gz PUEHIRSEPFXVRU-QGZVFWFLSA-N 1 0 340.423 4.080 20 5 EIBDRO CC[C@@H](CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001184821969 1052112753 /nfs/dbraw/zinc/11/27/53/1052112753.db2.gz ZOMDBNBBIWLXRW-JTQLQIEISA-N 1 0 332.231 4.188 20 5 EIBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC001184874572 1052122912 /nfs/dbraw/zinc/12/29/12/1052122912.db2.gz QYWBLHHSYKYBQL-ZDUSSCGKSA-N 1 0 325.840 4.315 20 5 EIBDRO Cc1cc(NCCCCCCC[NH+]2CCCC2)c([N+](=O)[O-])s1 ZINC001185046174 1052160642 /nfs/dbraw/zinc/16/06/42/1052160642.db2.gz HQWKXZUHJYFXKY-UHFFFAOYSA-N 1 0 325.478 4.423 20 5 EIBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001185097681 1052165839 /nfs/dbraw/zinc/16/58/39/1052165839.db2.gz BBVIPTTYLKXHEC-OAHLLOKOSA-N 1 0 342.443 4.210 20 5 EIBDRO CCCC[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC1 ZINC000184888957 1052290824 /nfs/dbraw/zinc/29/08/24/1052290824.db2.gz QNBPDGJNPUJXMF-MRXNPFEDSA-N 1 0 344.415 4.093 20 5 EIBDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000131169520 1052542941 /nfs/dbraw/zinc/54/29/41/1052542941.db2.gz XMBDNSWRQIHTBZ-ZDUSSCGKSA-N 1 0 330.432 4.014 20 5 EIBDRO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000764285654 1053051814 /nfs/dbraw/zinc/05/18/14/1053051814.db2.gz YJKOQLKNTFYXJV-DNVCBOLYSA-N 1 0 328.412 4.020 20 5 EIBDRO Cc1cc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2[nH+]1 ZINC000864019137 1053150527 /nfs/dbraw/zinc/15/05/27/1053150527.db2.gz OYSWMMIHRXBFTC-LBPRGKRZSA-N 1 0 325.343 4.186 20 5 EIBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC001195022848 1053229774 /nfs/dbraw/zinc/22/97/74/1053229774.db2.gz OSSXOIYDHYKVFU-MSOLQXFVSA-N 1 0 340.423 4.242 20 5 EIBDRO CC(C)[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccccc1 ZINC000794684111 1053262739 /nfs/dbraw/zinc/26/27/39/1053262739.db2.gz LJAJMNXZKOQRFI-DNVCBOLYSA-N 1 0 328.412 4.100 20 5 EIBDRO CC(C)[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000794684115 1053264957 /nfs/dbraw/zinc/26/49/57/1053264957.db2.gz LJAJMNXZKOQRFI-KXBFYZLASA-N 1 0 328.412 4.100 20 5 EIBDRO CC(C)[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccccc1 ZINC000794684109 1053265721 /nfs/dbraw/zinc/26/57/21/1053265721.db2.gz LJAJMNXZKOQRFI-BEFAXECRSA-N 1 0 328.412 4.100 20 5 EIBDRO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001195122247 1053278356 /nfs/dbraw/zinc/27/83/56/1053278356.db2.gz FMNCTGWBTGJHTE-IBGZPJMESA-N 1 0 344.386 4.258 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]CCCOc2ccccc2F)cc1[N+](=O)[O-] ZINC000764925241 1053377782 /nfs/dbraw/zinc/37/77/82/1053377782.db2.gz HFVVIRJHDSOZNS-CQSZACIVSA-N 1 0 332.375 4.162 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000764980666 1053397644 /nfs/dbraw/zinc/39/76/44/1053397644.db2.gz MESJFVOXRCXJLL-UHFFFAOYSA-N 1 0 326.730 4.476 20 5 EIBDRO CCCCCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC001195546546 1053432263 /nfs/dbraw/zinc/43/22/63/1053432263.db2.gz GGMHEBHMUYWFFS-IYARVYRRSA-N 1 0 334.460 4.281 20 5 EIBDRO CC[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC001195622545 1053439209 /nfs/dbraw/zinc/43/92/09/1053439209.db2.gz LXZTZFCBBXTLFZ-GOSISDBHSA-N 1 0 332.375 4.244 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000794830242 1053441798 /nfs/dbraw/zinc/44/17/98/1053441798.db2.gz ITHFYGUNTKALRE-MOXGXCLJSA-N 1 0 342.439 4.456 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000794832457 1053443407 /nfs/dbraw/zinc/44/34/07/1053443407.db2.gz SIXWFSZSRBAVGQ-MDASCCDHSA-N 1 0 328.412 4.148 20 5 EIBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCc2ccc(Cl)cc21 ZINC001195765877 1053474762 /nfs/dbraw/zinc/47/47/62/1053474762.db2.gz AEDBPEFLWFHYON-CYBMUJFWSA-N 1 0 330.815 4.410 20 5 EIBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H](C)O1 ZINC000252744934 1053577093 /nfs/dbraw/zinc/57/70/93/1053577093.db2.gz OJDPZSYWVSOKJW-BTTYYORXSA-N 1 0 346.452 4.369 20 5 EIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)ccc1Cl ZINC000852595552 1053594244 /nfs/dbraw/zinc/59/42/44/1053594244.db2.gz IGDIZJNUDQEIIM-YOEHRIQHSA-N 1 0 338.835 4.029 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCO2 ZINC000852781764 1053612962 /nfs/dbraw/zinc/61/29/62/1053612962.db2.gz QJPAYRRJPMEEHH-GFCCVEGCSA-N 1 0 346.814 4.424 20 5 EIBDRO CCCCC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001196329686 1053639320 /nfs/dbraw/zinc/63/93/20/1053639320.db2.gz PFKBUYIVFNSFAZ-OAHLLOKOSA-N 1 0 335.404 4.438 20 5 EIBDRO CC(C)c1csc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866287118 1053678303 /nfs/dbraw/zinc/67/83/03/1053678303.db2.gz JGUFFSUKAUOEEL-NSHDSACASA-N 1 0 337.420 4.035 20 5 EIBDRO CC(C)c1csc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866287117 1053679371 /nfs/dbraw/zinc/67/93/71/1053679371.db2.gz JGUFFSUKAUOEEL-LLVKDONJSA-N 1 0 337.420 4.035 20 5 EIBDRO CC1(C)C[C@]1([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001196457517 1053683291 /nfs/dbraw/zinc/68/32/91/1053683291.db2.gz BGECOIBCBWFEBF-FQEVSTJZSA-N 1 0 340.423 4.279 20 5 EIBDRO [NH3+]CC[C@H]1CN(c2ccc([N+](=O)[O-])c3ccccc32)c2ccccc21 ZINC001168549060 1053815518 /nfs/dbraw/zinc/81/55/18/1053815518.db2.gz RRDYCBOKKBOSAW-AWEZNQCLSA-N 1 0 333.391 4.332 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000121901479 1053855668 /nfs/dbraw/zinc/85/56/68/1053855668.db2.gz YUBGZGJTXZEFQW-MSOLQXFVSA-N 1 0 344.411 4.056 20 5 EIBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301311897 1053859692 /nfs/dbraw/zinc/85/96/92/1053859692.db2.gz HRDBTGNISCFVJU-CQSZACIVSA-N 1 0 343.402 4.371 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC001168553791 1053894024 /nfs/dbraw/zinc/89/40/24/1053894024.db2.gz XIMPBUCAFIVCDQ-LLVKDONJSA-N 1 0 349.774 4.316 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(F)c2cccnc12)c1ccc([N+](=O)[O-])cc1 ZINC001197646657 1053959790 /nfs/dbraw/zinc/95/97/90/1053959790.db2.gz JBDGOBSRWYHAQJ-GFCCVEGCSA-N 1 0 325.343 4.133 20 5 EIBDRO CC1(C)CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC001198201620 1054092556 /nfs/dbraw/zinc/09/25/56/1054092556.db2.gz ANDSGQWVOBHPBE-GOSISDBHSA-N 1 0 340.423 4.316 20 5 EIBDRO C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173350941 1054100580 /nfs/dbraw/zinc/10/05/80/1054100580.db2.gz YIIZEUYZBVQOPO-ZAAXVRCTSA-N 1 0 340.423 4.413 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC001198271603 1054120996 /nfs/dbraw/zinc/12/09/96/1054120996.db2.gz XFYSQXINYZDZFB-QZEKMECESA-N 1 0 338.407 4.281 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)CCC2 ZINC000857080807 1054173832 /nfs/dbraw/zinc/17/38/32/1054173832.db2.gz AOPCMHYBPCLJAX-RISCZKNCSA-N 1 0 329.227 4.146 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)Cc1c(C)noc1C ZINC000872039322 1054354453 /nfs/dbraw/zinc/35/44/53/1054354453.db2.gz SKJAADGVIXMYRC-QWRGUYRKSA-N 1 0 349.456 4.203 20 5 EIBDRO CCC1(O)CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872047290 1054358783 /nfs/dbraw/zinc/35/87/83/1054358783.db2.gz RRXDSXJDXZLKDY-POZPTJLLSA-N 1 0 338.473 4.051 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1cnccc1C ZINC000872043914 1054358874 /nfs/dbraw/zinc/35/88/74/1054358874.db2.gz ODCLDUZOGVRLKG-OLZOCXBDSA-N 1 0 331.441 4.432 20 5 EIBDRO CCC1(O)CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872047291 1054360402 /nfs/dbraw/zinc/36/04/02/1054360402.db2.gz RRXDSXJDXZLKDY-SFYCDEOASA-N 1 0 338.473 4.051 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC000872051680 1054365007 /nfs/dbraw/zinc/36/50/07/1054365007.db2.gz KEUAFASARFFWDV-LBPRGKRZSA-N 1 0 344.436 4.198 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063139 1054371903 /nfs/dbraw/zinc/37/19/03/1054371903.db2.gz SZYDHNNTEAUYKX-YEWWUXTCSA-N 1 0 344.386 4.305 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000872084759 1054382248 /nfs/dbraw/zinc/38/22/48/1054382248.db2.gz HZVKQHFQUQLLKX-GTNSWQLSSA-N 1 0 344.436 4.360 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccns1 ZINC000858578857 1054527353 /nfs/dbraw/zinc/52/73/53/1054527353.db2.gz XWMOWRQZKCIMQR-RYUDHWBXSA-N 1 0 337.470 4.273 20 5 EIBDRO CC[C@H](CSc1ccccc1)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001201594691 1054858964 /nfs/dbraw/zinc/85/89/64/1054858964.db2.gz KLZMMFOELYYJAT-OAHLLOKOSA-N 1 0 346.452 4.264 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(F)c2ccccc12 ZINC001201635240 1054860485 /nfs/dbraw/zinc/86/04/85/1054860485.db2.gz ZTNIDOWKTIZSKK-UHFFFAOYSA-N 1 0 340.354 4.186 20 5 EIBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001201618887 1054866677 /nfs/dbraw/zinc/86/66/77/1054866677.db2.gz YHBKPTLAPBGKPC-ZWKOTPCHSA-N 1 0 334.460 4.402 20 5 EIBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1(C)C ZINC001201655760 1054878275 /nfs/dbraw/zinc/87/82/75/1054878275.db2.gz NZFHWMQCGCFHIW-OCBCSQNSSA-N 1 0 344.411 4.004 20 5 EIBDRO C/C(=C/c1ccccc1)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001201694780 1054891783 /nfs/dbraw/zinc/89/17/83/1054891783.db2.gz VQXWWPKPIHMJJV-KAMYIIQDSA-N 1 0 330.815 4.484 20 5 EIBDRO CC(C)[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(Cl)cc1 ZINC000876908018 1054981221 /nfs/dbraw/zinc/98/12/21/1054981221.db2.gz GKDGZQOLSIFTAW-VMBOVVBDSA-N 1 0 348.834 4.135 20 5 EIBDRO CCC(CC)[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccs1 ZINC000876978438 1054991145 /nfs/dbraw/zinc/99/11/45/1054991145.db2.gz JYDCUDSARSBILG-MQBCKMQZSA-N 1 0 348.472 4.323 20 5 EIBDRO CC(C)[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1Cl ZINC000877043286 1055007006 /nfs/dbraw/zinc/00/70/06/1055007006.db2.gz IOBIZNQNIYFJRD-QWQCLYJRSA-N 1 0 348.834 4.135 20 5 EIBDRO CC(C)OC1CCC([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000776253560 1055061162 /nfs/dbraw/zinc/06/11/62/1055061162.db2.gz SHMYMMZBYNNEEE-UHFFFAOYSA-N 1 0 326.824 4.074 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001202288311 1055124525 /nfs/dbraw/zinc/12/45/25/1055124525.db2.gz ARXCUXPUQMVQSY-ROUUACIJSA-N 1 0 340.423 4.419 20 5 EIBDRO Cc1csc([C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)n1 ZINC000877814253 1055128557 /nfs/dbraw/zinc/12/85/57/1055128557.db2.gz WPWFOJWKEPNUPR-LLVKDONJSA-N 1 0 337.832 4.003 20 5 EIBDRO Cc1ccc2sc(CN[C@H](C)c3cccc([N+](=O)[O-])c3)nc2c1 ZINC001168604614 1055205546 /nfs/dbraw/zinc/20/55/46/1055205546.db2.gz QASWEJVANBJTKI-GFCCVEGCSA-N 1 0 327.409 4.364 20 5 EIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273252912 1055566373 /nfs/dbraw/zinc/56/63/73/1055566373.db2.gz AJALDVBIYHJLNO-RTBURBONSA-N 1 0 344.386 4.086 20 5 EIBDRO CCOc1cc(NC2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301578935 1055743706 /nfs/dbraw/zinc/74/37/06/1055743706.db2.gz NAYCQCIESKFQKN-UHFFFAOYSA-N 1 0 347.459 4.203 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]C2(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000553845756 1055849158 /nfs/dbraw/zinc/84/91/58/1055849158.db2.gz BYNYCDJMCXGWFL-CQSZACIVSA-N 1 0 326.396 4.333 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000273507695 1055890280 /nfs/dbraw/zinc/89/02/80/1055890280.db2.gz ZWUPOEJFHZWSRL-IXDGSTSKSA-N 1 0 344.386 4.305 20 5 EIBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C12CCC2 ZINC000462755023 1056293511 /nfs/dbraw/zinc/29/35/11/1056293511.db2.gz SKFQZKZGUCMQCV-QZTJIDSGSA-N 1 0 332.444 4.156 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000338707812 1056419408 /nfs/dbraw/zinc/41/94/08/1056419408.db2.gz LQOFBTWILXBHSZ-SVEBXFOSSA-N 1 0 342.370 4.251 20 5 EIBDRO CNC(=O)CCC[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC000742700087 1058731516 /nfs/dbraw/zinc/73/15/16/1058731516.db2.gz XFIPJVNOIUFULC-UHFFFAOYSA-N 1 0 340.854 4.262 20 5 EIBDRO CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000743865202 1059179403 /nfs/dbraw/zinc/17/94/03/1059179403.db2.gz YOXBBDQOXMDRHV-GOSISDBHSA-N 1 0 348.830 4.112 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC001168811852 1060411118 /nfs/dbraw/zinc/41/11/18/1060411118.db2.gz DRIMFOQSTVPHTD-AWEZNQCLSA-N 1 0 328.412 4.059 20 5 EIBDRO CCOc1cc(C[NH2+][C@@H](C)c2cc(C)ccc2C)ccc1[N+](=O)[O-] ZINC001168925997 1060505609 /nfs/dbraw/zinc/50/56/09/1060505609.db2.gz WRJZSXZVZPFFPB-HNNXBMFYSA-N 1 0 328.412 4.461 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3ccc(Cl)cc3Cl)CC2)C1 ZINC001168977876 1060549442 /nfs/dbraw/zinc/54/94/42/1060549442.db2.gz NFVMSTXVDBVXAA-PWSUYJOCSA-N 1 0 329.227 4.018 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001168966853 1060557914 /nfs/dbraw/zinc/55/79/14/1060557914.db2.gz LRWAVRWOUUYVEN-KDOFPFPSSA-N 1 0 328.387 4.028 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Oc3ccccc3)cc2)C1 ZINC001168964960 1060559391 /nfs/dbraw/zinc/55/93/91/1060559391.db2.gz WTFRMEDSYLDRHW-SJORKVTESA-N 1 0 326.396 4.014 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC001168991917 1060567059 /nfs/dbraw/zinc/56/70/59/1060567059.db2.gz IFAHAWSNOIQRKJ-SWLSCSKDSA-N 1 0 342.361 4.120 20 5 EIBDRO Cc1ccc(Oc2ccc(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)cc2)cc1 ZINC001169000344 1060570247 /nfs/dbraw/zinc/57/02/47/1060570247.db2.gz XNNFBENLWCPXNJ-MSOLQXFVSA-N 1 0 340.423 4.322 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC001168997490 1060571255 /nfs/dbraw/zinc/57/12/55/1060571255.db2.gz ZXLCYVQNWHBQML-DFBGVHRSSA-N 1 0 330.350 4.192 20 5 EIBDRO CC(C)(Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168998126 1060571277 /nfs/dbraw/zinc/57/12/77/1060571277.db2.gz IOBCIOVQZSEMKP-TZMCWYRMSA-N 1 0 344.377 4.062 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(CCCc3ccccc3)CC2)C1 ZINC001169006401 1060576074 /nfs/dbraw/zinc/57/60/74/1060576074.db2.gz HRVCMJHLGJECLP-UXHICEINSA-N 1 0 330.472 4.167 20 5 EIBDRO Cc1ccc(C[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc2)cc1 ZINC001168988869 1060585460 /nfs/dbraw/zinc/58/54/60/1060585460.db2.gz UHWMAWGQLXNMQV-TYPHKJRUSA-N 1 0 338.451 4.314 20 5 EIBDRO C[N@H+](Cc1ccc(Oc2ccccc2)cc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037069 1060593291 /nfs/dbraw/zinc/59/32/91/1060593291.db2.gz IOWGFBKHAGBIPW-ROUUACIJSA-N 1 0 340.423 4.356 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001169036387 1060594069 /nfs/dbraw/zinc/59/40/69/1060594069.db2.gz OANHWEMVBLKEPF-BNOWGMLFSA-N 1 0 343.254 4.228 20 5 EIBDRO CC[NH+](CC)C1CCN(c2ccc3ccc4cccnc4c3n2)CC1 ZINC001165052622 722001463 /nfs/dbraw/zinc/00/14/63/722001463.db2.gz AEXNXIGTTFSOMH-UHFFFAOYSA-N 1 0 334.467 4.094 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccnc3ccccc23)C2CC2)cc1 ZINC000536638029 1032241765 /nfs/dbraw/zinc/24/17/65/1032241765.db2.gz NZSAZTSBCZPKNU-UHFFFAOYSA-N 1 0 333.391 4.308 20 5 EIBDRO Cc1noc(CCC[NH2+]Cc2c3ccccc3cc3ccccc32)n1 ZINC000729686095 1032247055 /nfs/dbraw/zinc/24/70/55/1032247055.db2.gz YJEVJRCVPISTOD-UHFFFAOYSA-N 1 0 331.419 4.407 20 5 EIBDRO CC[C@H](C)[C@@H](C)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000532963256 1032416281 /nfs/dbraw/zinc/41/62/81/1032416281.db2.gz BKXFERBNNMMWJQ-QWHCGFSZSA-N 1 0 344.415 4.044 20 5 EIBDRO CCCC[C@@H](CC)COCCCNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001168118699 1032453575 /nfs/dbraw/zinc/45/35/75/1032453575.db2.gz ZMOXWNHZPGKAGF-OAHLLOKOSA-N 1 0 349.475 4.233 20 5 EIBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000475742976 1032554565 /nfs/dbraw/zinc/55/45/65/1032554565.db2.gz VNJIWMRBVHCOEJ-RDBSUJKOSA-N 1 0 329.400 4.116 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cccc3[nH]ccc32)c(Cl)c1 ZINC000500555814 1032645588 /nfs/dbraw/zinc/64/55/88/1032645588.db2.gz DTJIMPYYJOMCTA-UHFFFAOYSA-N 1 0 329.787 4.062 20 5 EIBDRO CCOc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000153842433 1018744123 /nfs/dbraw/zinc/74/41/23/1018744123.db2.gz LUUAPNHYKZJJNR-AWEZNQCLSA-N 1 0 344.411 4.161 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1c1ccc(C)s1 ZINC000430206280 1019310919 /nfs/dbraw/zinc/31/09/19/1019310919.db2.gz KMAKXGGQDBRQDZ-HNNXBMFYSA-N 1 0 332.425 4.310 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1cccc(Cl)c1 ZINC000430224812 1019504949 /nfs/dbraw/zinc/50/49/49/1019504949.db2.gz LKBWBZZDPLCUSK-MRXNPFEDSA-N 1 0 334.803 4.498 20 5 EIBDRO Cc1ccccc1C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000510109460 1019540906 /nfs/dbraw/zinc/54/09/06/1019540906.db2.gz MDADUPAVVJXDLM-UHFFFAOYSA-N 1 0 339.439 4.288 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CCOCC1 ZINC000134490745 1019826533 /nfs/dbraw/zinc/82/65/33/1019826533.db2.gz WLKLDQMIPCHQSC-CYBMUJFWSA-N 1 0 346.452 4.228 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccccc2OC2CCCC2)cc1 ZINC000609222708 1019883741 /nfs/dbraw/zinc/88/37/41/1019883741.db2.gz ZTWZFNPQAQJBBZ-UHFFFAOYSA-N 1 0 340.423 4.249 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C[C@H](O)c1ccccc1 ZINC000120643690 1019954190 /nfs/dbraw/zinc/95/41/90/1019954190.db2.gz HEKOEWKDBCGSCG-VCBZYWHSSA-N 1 0 328.412 4.066 20 5 EIBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC12CCOCC2 ZINC001167186279 1020501476 /nfs/dbraw/zinc/50/14/76/1020501476.db2.gz CUXMRTLRVZORBI-GOSISDBHSA-N 1 0 346.471 4.402 20 5 EIBDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083174495 1021015406 /nfs/dbraw/zinc/01/54/06/1021015406.db2.gz ZOKXURXRZPMCKJ-ZFWWWQNUSA-N 1 0 337.379 4.114 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCCOc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000179964051 1021185305 /nfs/dbraw/zinc/18/53/05/1021185305.db2.gz XTWWGVOJLCNNBZ-PXAZEXFGSA-N 1 0 330.359 4.298 20 5 EIBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(N(C)C)c1 ZINC000610368019 1021538158 /nfs/dbraw/zinc/53/81/58/1021538158.db2.gz FEZOLGFPRULGLA-UHFFFAOYSA-N 1 0 327.428 4.071 20 5 EIBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000610091399 1021833682 /nfs/dbraw/zinc/83/36/82/1021833682.db2.gz QJKSUWDVIURUTR-CJNGLKHVSA-N 1 0 344.415 4.045 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-n2ccnc2)cc1 ZINC000172855211 1021858972 /nfs/dbraw/zinc/85/89/72/1021858972.db2.gz FXDZFCBBFVHZQY-GJZGRUSLSA-N 1 0 336.395 4.192 20 5 EIBDRO Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC001167387213 1021927660 /nfs/dbraw/zinc/92/76/60/1021927660.db2.gz QLDSBYVVBJYRQG-QGZVFWFLSA-N 1 0 328.387 4.249 20 5 EIBDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC001167387212 1021929690 /nfs/dbraw/zinc/92/96/90/1021929690.db2.gz QLDSBYVVBJYRQG-KRWDZBQOSA-N 1 0 328.387 4.249 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000468627355 1022068629 /nfs/dbraw/zinc/06/86/29/1022068629.db2.gz MNTXQTITEPGSGE-XNTDXEJSSA-N 1 0 349.390 4.443 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC[C@H]2CCCCO2)c2ccccc2)c1 ZINC000180263301 1022402696 /nfs/dbraw/zinc/40/26/96/1022402696.db2.gz XUQCBABKTUNHTF-UXHICEINSA-N 1 0 340.423 4.233 20 5 EIBDRO CC(C)Cc1ccc([C@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C(C)C)cc1 ZINC001167728526 1022422684 /nfs/dbraw/zinc/42/26/84/1022422684.db2.gz PAHDKCQYPNYXQO-GOSISDBHSA-N 1 0 344.459 4.014 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCc2ccccc2O)c2ccccc2)c1 ZINC000180391172 1022603820 /nfs/dbraw/zinc/60/38/20/1022603820.db2.gz YTJMSFKPYAVWLK-OAQYLSRUSA-N 1 0 348.402 4.222 20 5 EIBDRO CC(C)c1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180407542 1022633262 /nfs/dbraw/zinc/63/32/62/1022633262.db2.gz MIMHXSQEKZCJGO-AWEZNQCLSA-N 1 0 341.411 4.008 20 5 EIBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CC=CCC1 ZINC000541315498 1022699010 /nfs/dbraw/zinc/69/90/10/1022699010.db2.gz CKUROJLUXSSQOS-HNNXBMFYSA-N 1 0 341.411 4.080 20 5 EIBDRO CC[C@@H]([NH2+]CCc1csc(C(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000157002046 1022947883 /nfs/dbraw/zinc/94/78/83/1022947883.db2.gz BXVXFUWJMKZXQZ-MRXNPFEDSA-N 1 0 333.457 4.458 20 5 EIBDRO CCOCCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000236846209 1023019808 /nfs/dbraw/zinc/01/98/08/1023019808.db2.gz VFBOCIUASXMAND-UHFFFAOYSA-N 1 0 334.441 4.230 20 5 EIBDRO CCOC1CC(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000189252103 1023048887 /nfs/dbraw/zinc/04/88/87/1023048887.db2.gz NIJXNVSGENTIPX-KXWSQRDISA-N 1 0 346.471 4.101 20 5 EIBDRO Cc1ccc2cc(C[NH2+]C(C)(C)c3ccc([N+](=O)[O-])cc3)ccc2n1 ZINC000189375057 1023054835 /nfs/dbraw/zinc/05/48/35/1023054835.db2.gz JCZICKNOTCZFTM-UHFFFAOYSA-N 1 0 335.407 4.476 20 5 EIBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000417310997 1023258260 /nfs/dbraw/zinc/25/82/60/1023258260.db2.gz LHDZXSQXRMTSKJ-MNEFBYGVSA-N 1 0 332.444 4.156 20 5 EIBDRO CCc1nc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cs1 ZINC000417314327 1023259353 /nfs/dbraw/zinc/25/93/53/1023259353.db2.gz QWTHYMMUIBXKNX-INIZCTEOSA-N 1 0 331.441 4.171 20 5 EIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cnc2ccsc2c1 ZINC000126543093 1023355343 /nfs/dbraw/zinc/35/53/43/1023355343.db2.gz ATUYRMKVVONRLA-GFCCVEGCSA-N 1 0 327.409 4.098 20 5 EIBDRO Cc1csc(C2(NCc3ccc([N+](=O)[O-])c(F)c3)CCCC2)n1 ZINC000276362272 1023373418 /nfs/dbraw/zinc/37/34/18/1023373418.db2.gz ZAVHPKLRZFLFSQ-UHFFFAOYSA-N 1 0 335.404 4.058 20 5 EIBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccncc1 ZINC000610517699 1023458627 /nfs/dbraw/zinc/45/86/27/1023458627.db2.gz HMHVPKOIPQWJNL-CQSZACIVSA-N 1 0 337.379 4.143 20 5 EIBDRO C[C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccncc1 ZINC000610517707 1023460423 /nfs/dbraw/zinc/46/04/23/1023460423.db2.gz HYHOZPBCUIMJPR-CQSZACIVSA-N 1 0 337.379 4.143 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3ccc(F)cc31)CCC2 ZINC000584523295 1023482887 /nfs/dbraw/zinc/48/28/87/1023482887.db2.gz BENITHBFVDLOKZ-RTBURBONSA-N 1 0 326.371 4.388 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(OC2CCC2)CC1 ZINC000418090591 1023525239 /nfs/dbraw/zinc/52/52/39/1023525239.db2.gz LNSBXHWZZSQKMW-QINSGFPZSA-N 1 0 330.428 4.032 20 5 EIBDRO COc1ccc(C[NH2+][C@H](C)c2csc(Cl)c2)cc1[N+](=O)[O-] ZINC000276442055 1023539156 /nfs/dbraw/zinc/53/91/56/1023539156.db2.gz YEWSINGKDJOPPS-SECBINFHSA-N 1 0 326.805 4.169 20 5 EIBDRO COCCCC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000418131687 1023557817 /nfs/dbraw/zinc/55/78/17/1023557817.db2.gz ICGIYFWYXVSQPE-UHFFFAOYSA-N 1 0 334.441 4.182 20 5 EIBDRO CCC[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccnc1 ZINC000581690141 1023608314 /nfs/dbraw/zinc/60/83/14/1023608314.db2.gz XLSIQDAFEKHAIG-GOSISDBHSA-N 1 0 338.411 4.145 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)c(Cl)c1 ZINC000500427362 1023821303 /nfs/dbraw/zinc/82/13/03/1023821303.db2.gz HVOXXIRSBMFFAO-CJNGLKHVSA-N 1 0 345.830 4.459 20 5 EIBDRO CC(C)CC[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000135310638 1023822436 /nfs/dbraw/zinc/82/24/36/1023822436.db2.gz ADHSAXMCJSDEON-OAHLLOKOSA-N 1 0 344.415 4.045 20 5 EIBDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000566820623 1023827503 /nfs/dbraw/zinc/82/75/03/1023827503.db2.gz ROQSSRGAFPGBGX-LRDDRELGSA-N 1 0 339.395 4.125 20 5 EIBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072776089 1023845247 /nfs/dbraw/zinc/84/52/47/1023845247.db2.gz JZISCOJRGMEVCL-CZUORRHYSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000178281871 1023886531 /nfs/dbraw/zinc/88/65/31/1023886531.db2.gz VRWWTKWYFBMKSG-LBPRGKRZSA-N 1 0 336.338 4.355 20 5 EIBDRO CCC[C@H]([NH2+]Cc1cc(F)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000187597157 1023887077 /nfs/dbraw/zinc/88/70/77/1023887077.db2.gz WJJCVACVQYVCOQ-KRWDZBQOSA-N 1 0 332.375 4.374 20 5 EIBDRO CC1CCC([N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C2CC2)CC1 ZINC000610581305 1024116741 /nfs/dbraw/zinc/11/67/41/1024116741.db2.gz VVJJJGUEKIMLSR-UHFFFAOYSA-N 1 0 329.400 4.279 20 5 EIBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000049128874 1024802967 /nfs/dbraw/zinc/80/29/67/1024802967.db2.gz SUTBXQQUUIKFNO-SNVBAGLBSA-N 1 0 326.805 4.039 20 5 EIBDRO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000610741095 1024805096 /nfs/dbraw/zinc/80/50/96/1024805096.db2.gz DQFZZCJVCWRFBN-UONOGXRCSA-N 1 0 346.452 4.228 20 5 EIBDRO O=[N+]([O-])c1c(F)cccc1NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065201985 1025150082 /nfs/dbraw/zinc/15/00/82/1025150082.db2.gz ZHNJFJXSRKYTGX-INIZCTEOSA-N 1 0 343.402 4.058 20 5 EIBDRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000611561493 1025387175 /nfs/dbraw/zinc/38/71/75/1025387175.db2.gz RMIUHHFUJDGHHO-LJXYTEIVSA-N 1 0 328.334 4.271 20 5 EIBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1(CC)CC ZINC001167819390 1025417154 /nfs/dbraw/zinc/41/71/54/1025417154.db2.gz MZABZHZAMNRLQR-IAGOWNOFSA-N 1 0 338.423 4.150 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000538460103 1025430165 /nfs/dbraw/zinc/43/01/65/1025430165.db2.gz SWEIXGIQYIVURR-BBRMVZONSA-N 1 0 345.830 4.178 20 5 EIBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1cccc([N+](=O)[O-])c1 ZINC000343968781 1025683795 /nfs/dbraw/zinc/68/37/95/1025683795.db2.gz BIPBWNZGXIUWHS-LBPRGKRZSA-N 1 0 327.359 4.109 20 5 EIBDRO CCCCCn1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c(C)n1 ZINC000539041680 1025752740 /nfs/dbraw/zinc/75/27/40/1025752740.db2.gz OSLHGAKRUKZQKB-INIZCTEOSA-N 1 0 344.459 4.449 20 5 EIBDRO CCCc1ccc([C@@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C(C)C)cc1 ZINC000611568032 1025811359 /nfs/dbraw/zinc/81/13/59/1025811359.db2.gz IANCNPKWHUSFDW-IBGZPJMESA-N 1 0 344.459 4.039 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CCCc3ccc(C)cc32)cc1[N+](=O)[O-] ZINC000342326194 1025857280 /nfs/dbraw/zinc/85/72/80/1025857280.db2.gz SPKGPTGFFLPFIZ-QGZVFWFLSA-N 1 0 326.396 4.079 20 5 EIBDRO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC001167517884 1025899661 /nfs/dbraw/zinc/89/96/61/1025899661.db2.gz SKVSTZQXNXJRSJ-OXJNMPFZSA-N 1 0 342.439 4.328 20 5 EIBDRO CC[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000279120769 1026106927 /nfs/dbraw/zinc/10/69/27/1026106927.db2.gz QBUSMPJXCGMSNY-MSOLQXFVSA-N 1 0 325.412 4.453 20 5 EIBDRO CC(C)Oc1ccccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071262 1026120540 /nfs/dbraw/zinc/12/05/40/1026120540.db2.gz BTQCBEQPIAVXFE-UHFFFAOYSA-N 1 0 328.412 4.057 20 5 EIBDRO CN(CCc1ccccc1[N+](=O)[O-])Cc1nc(C(C)(C)C)cs1 ZINC000511072966 1026126517 /nfs/dbraw/zinc/12/65/17/1026126517.db2.gz HPUMYBXNSFXSLV-UHFFFAOYSA-N 1 0 333.457 4.023 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000551705584 1026244610 /nfs/dbraw/zinc/24/46/10/1026244610.db2.gz CSECAZJZKBKUSE-UHFFFAOYSA-N 1 0 336.313 4.393 20 5 EIBDRO CC(C)C[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CCCC1 ZINC000728899210 1026282367 /nfs/dbraw/zinc/28/23/67/1026282367.db2.gz DAJCARJPRQULCF-UHFFFAOYSA-N 1 0 342.443 4.316 20 5 EIBDRO CCc1nc2c(s1)[C@@H]([N@H+](C)CCc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000478051893 1026340321 /nfs/dbraw/zinc/34/03/21/1026340321.db2.gz FCFDRABIKUMSAT-INIZCTEOSA-N 1 0 345.468 4.166 20 5 EIBDRO C[C@H]1CCCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000512204280 1026460467 /nfs/dbraw/zinc/46/04/67/1026460467.db2.gz UTQRVIAHMYDMHI-AWEZNQCLSA-N 1 0 329.400 4.057 20 5 EIBDRO CC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000512221222 1026502144 /nfs/dbraw/zinc/50/21/44/1026502144.db2.gz WZWYFNCNMFMCQG-LLVKDONJSA-N 1 0 346.374 4.071 20 5 EIBDRO Cc1csc(C2([NH2+]C/C=C\c3ccccc3[N+](=O)[O-])CCC2)n1 ZINC000338710146 1026587445 /nfs/dbraw/zinc/58/74/45/1026587445.db2.gz PICMDLGWRYPDHV-DAXSKMNVSA-N 1 0 329.425 4.042 20 5 EIBDRO CC(C)(COCc1ccccc1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000500463165 1026772848 /nfs/dbraw/zinc/77/28/48/1026772848.db2.gz OPDAYVPRGSHWBR-XYOKQWHBSA-N 1 0 340.423 4.193 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000507424957 1026789158 /nfs/dbraw/zinc/78/91/58/1026789158.db2.gz FNUHRYFWKZPXDU-LLVKDONJSA-N 1 0 338.329 4.214 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCCCO1 ZINC000507611491 1026854042 /nfs/dbraw/zinc/85/40/42/1026854042.db2.gz PXLLZDFNKWYMGA-LSDHHAIUSA-N 1 0 338.473 4.014 20 5 EIBDRO C[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178642295 1026971567 /nfs/dbraw/zinc/97/15/67/1026971567.db2.gz FBVWDCRFHBAJAG-JXFKEZNVSA-N 1 0 339.439 4.083 20 5 EIBDRO C[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178642335 1026976880 /nfs/dbraw/zinc/97/68/80/1026976880.db2.gz FBVWDCRFHBAJAG-OXJNMPFZSA-N 1 0 339.439 4.083 20 5 EIBDRO CC(C)[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1F ZINC000519908748 1027039088 /nfs/dbraw/zinc/03/90/88/1027039088.db2.gz NKAOWJRXXVPIEA-UHFFFAOYSA-N 1 0 332.375 4.023 20 5 EIBDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237369720 1027271868 /nfs/dbraw/zinc/27/18/68/1027271868.db2.gz AIOMQYLOOLOWLQ-WBMJQRKESA-N 1 0 331.441 4.387 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)c(F)c1 ZINC000475552344 1027600985 /nfs/dbraw/zinc/60/09/85/1027600985.db2.gz LLVDEIDVOVGFQS-BBRMVZONSA-N 1 0 332.350 4.299 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCSCc1ccccc1)CC2 ZINC001167647250 1027839620 /nfs/dbraw/zinc/83/96/20/1027839620.db2.gz LDJXFGYPXSXFET-UHFFFAOYSA-N 1 0 342.464 4.276 20 5 EIBDRO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCCC[C@H]1C ZINC000444674943 1027955540 /nfs/dbraw/zinc/95/55/40/1027955540.db2.gz KZNCXFNLAAKULX-CJNGLKHVSA-N 1 0 344.415 4.045 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000268801773 1028274709 /nfs/dbraw/zinc/27/47/09/1028274709.db2.gz KLKRBLBLOZNLDW-CXAGYDPISA-N 1 0 344.411 4.414 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+]CCCC3CC3)o2)c([N+](=O)[O-])c1 ZINC000522963125 1029131677 /nfs/dbraw/zinc/13/16/77/1029131677.db2.gz DMSXBNFXEQQSRX-UHFFFAOYSA-N 1 0 330.384 4.143 20 5 EIBDRO Cc1c(C[NH+]2CCC(OCC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000524756458 1029205529 /nfs/dbraw/zinc/20/55/29/1029205529.db2.gz MPJHXMPJENYVSK-UHFFFAOYSA-N 1 0 346.471 4.465 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000525126684 1029466994 /nfs/dbraw/zinc/46/69/94/1029466994.db2.gz JMFCNNVBMFPOMT-OAHLLOKOSA-N 1 0 330.815 4.313 20 5 EIBDRO CCO[C@@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000446857515 1029611878 /nfs/dbraw/zinc/61/18/78/1029611878.db2.gz VTUZDCNDYWBCRU-JXFKEZNVSA-N 1 0 342.439 4.283 20 5 EIBDRO CCO[C@@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000446857518 1029611983 /nfs/dbraw/zinc/61/19/83/1029611983.db2.gz VTUZDCNDYWBCRU-UZLBHIALSA-N 1 0 342.439 4.283 20 5 EIBDRO CC(C)CC[C@](C)(O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000525401491 1029618998 /nfs/dbraw/zinc/61/89/98/1029618998.db2.gz XIEXKGWXKOOTEM-IBGZPJMESA-N 1 0 346.427 4.132 20 5 EIBDRO Cc1ncc([C@@H](C)[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000601299133 1029783887 /nfs/dbraw/zinc/78/38/87/1029783887.db2.gz IORBHNRZCIIEQH-MEBBXXQBSA-N 1 0 331.441 4.433 20 5 EIBDRO CSCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237503350 1030024427 /nfs/dbraw/zinc/02/44/27/1030024427.db2.gz GQVWILGNAIBZFD-UHFFFAOYSA-N 1 0 340.832 4.351 20 5 EIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCC3)CC2)c(C(F)(F)F)c1 ZINC000450878013 1030080046 /nfs/dbraw/zinc/08/00/46/1030080046.db2.gz LJFPCESZDLLIIG-UHFFFAOYSA-N 1 0 343.349 4.042 20 5 EIBDRO CC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447527908 1030121973 /nfs/dbraw/zinc/12/19/73/1030121973.db2.gz HJCVVLHIHMBXDF-NXHRZFHOSA-N 1 0 342.443 4.058 20 5 EIBDRO CCOc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447544788 1030148165 /nfs/dbraw/zinc/14/81/65/1030148165.db2.gz WGMXBPWSRLDXEI-LJQANCHMSA-N 1 0 326.396 4.161 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1COc2ccccc21 ZINC000447576105 1030204013 /nfs/dbraw/zinc/20/40/13/1030204013.db2.gz WKXKPMWBERMMKZ-BKTGTZMESA-N 1 0 338.407 4.127 20 5 EIBDRO CC(C)[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccnc1 ZINC000447578719 1030207406 /nfs/dbraw/zinc/20/74/06/1030207406.db2.gz GUBTUDKLOBNUJN-WOJBJXKFSA-N 1 0 339.439 4.397 20 5 EIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCCc3sccc32)n1 ZINC000447602494 1030224369 /nfs/dbraw/zinc/22/43/69/1030224369.db2.gz USOSLCGNGJITJF-QLFBSQMISA-N 1 0 346.456 4.004 20 5 EIBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451301721 1030386536 /nfs/dbraw/zinc/38/65/36/1030386536.db2.gz JKIKTJDNPDWDQR-STQMWFEESA-N 1 0 346.349 4.074 20 5 EIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(OC(F)F)c1 ZINC000324678135 1030389917 /nfs/dbraw/zinc/38/99/17/1030389917.db2.gz NTXYVQDXVPOZIE-GFCCVEGCSA-N 1 0 336.338 4.090 20 5 EIBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000611983753 1030678896 /nfs/dbraw/zinc/67/88/96/1030678896.db2.gz GFKOEBJITGRZDY-SFHVURJKSA-N 1 0 339.439 4.178 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000102419563 1030759331 /nfs/dbraw/zinc/75/93/31/1030759331.db2.gz VVZDPOSWACSZMH-UHFFFAOYSA-N 1 0 338.363 4.153 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000530973852 1030821618 /nfs/dbraw/zinc/82/16/18/1030821618.db2.gz FBKNKEZIEHWIQL-WZFJYNIESA-N 1 0 326.396 4.199 20 5 EIBDRO CC(C)OCc1ccccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000532476197 1031187696 /nfs/dbraw/zinc/18/76/96/1031187696.db2.gz LDFCNWVRIPQGLQ-OAHLLOKOSA-N 1 0 328.412 4.371 20 5 EIBDRO CC1(c2ccccc2)CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC001168215379 1031303803 /nfs/dbraw/zinc/30/38/03/1031303803.db2.gz RGTQTXSXXSAXDH-UHFFFAOYSA-N 1 0 328.387 4.288 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1[N+](=O)[O-] ZINC000278789248 1031350268 /nfs/dbraw/zinc/35/02/68/1031350268.db2.gz QFQCSOSADDEPHB-PXAZEXFGSA-N 1 0 341.367 4.231 20 5 EIBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000897466100 1031404498 /nfs/dbraw/zinc/40/44/98/1031404498.db2.gz NWDOWUSFTISALU-ZIAGYGMSSA-N 1 0 341.411 4.008 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000449128807 1031465875 /nfs/dbraw/zinc/46/58/75/1031465875.db2.gz AVVATJAXWMYBNU-GFCCVEGCSA-N 1 0 333.457 4.070 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@@H](OC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000531702102 1031488263 /nfs/dbraw/zinc/48/82/63/1031488263.db2.gz ZCEUGATYTCARMI-RTBURBONSA-N 1 0 328.412 4.413 20 5 EIBDRO COc1ccc2c(c1)CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C2 ZINC000612419825 1031500708 /nfs/dbraw/zinc/50/07/08/1031500708.db2.gz VLKVHPAOOAWLHN-WMLDXEAASA-N 1 0 340.423 4.120 20 5 EIBDRO COc1ccc2c(c1)CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C2 ZINC000612419758 1031501489 /nfs/dbraw/zinc/50/14/89/1031501489.db2.gz NPOGYMWTFCWISO-PBHICJAKSA-N 1 0 340.423 4.120 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc3c2OC(C)(C)C3)cc1[N+](=O)[O-] ZINC000237496386 1031540268 /nfs/dbraw/zinc/54/02/68/1031540268.db2.gz ZZINFHACWHTLMB-AWEZNQCLSA-N 1 0 340.423 4.468 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C)c3ccsc32)cc1[N+](=O)[O-] ZINC000453073683 1031556506 /nfs/dbraw/zinc/55/65/06/1031556506.db2.gz BXSRUCSEOQCZDK-FZMZJTMJSA-N 1 0 332.425 4.393 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000449368717 1031661462 /nfs/dbraw/zinc/66/14/62/1031661462.db2.gz MXJSMQWFQZPCIE-DTQAZKPQSA-N 1 0 344.455 4.015 20 5 EIBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000449470301 1031768886 /nfs/dbraw/zinc/76/88/86/1031768886.db2.gz AMAHKGKAEDLBRM-MRXNPFEDSA-N 1 0 332.444 4.157 20 5 EIBDRO CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H]1C ZINC000449493559 1031788577 /nfs/dbraw/zinc/78/85/77/1031788577.db2.gz FCEZFZBTXWDNNO-SUMWQHHRSA-N 1 0 346.452 4.180 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000449489687 1031799025 /nfs/dbraw/zinc/79/90/25/1031799025.db2.gz AQUZANAASFRYBV-PCHGQMOYSA-N 1 0 332.444 4.039 20 5 EIBDRO CCO[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000449495020 1031804287 /nfs/dbraw/zinc/80/42/87/1031804287.db2.gz NTKLNKXAQTXCNX-KDOFPFPSSA-N 1 0 344.411 4.102 20 5 EIBDRO C[C@H]([NH2+]CC1=CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453289727 1031808117 /nfs/dbraw/zinc/80/81/17/1031808117.db2.gz MNDQBAFQIWQTHZ-ZDUSSCGKSA-N 1 0 344.436 4.321 20 5 EIBDRO CCO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000449504077 1031812008 /nfs/dbraw/zinc/81/20/08/1031812008.db2.gz YHONJTLLMREVCT-KDOFPFPSSA-N 1 0 344.411 4.102 20 5 EIBDRO CCO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000449504076 1031813070 /nfs/dbraw/zinc/81/30/70/1031813070.db2.gz YHONJTLLMREVCT-KBXCAEBGSA-N 1 0 344.411 4.102 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000453271777 1031820606 /nfs/dbraw/zinc/82/06/06/1031820606.db2.gz RPJRAXAJPZXDPI-CKEIUWERSA-N 1 0 326.396 4.466 20 5 EIBDRO COC[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000449778387 1032003784 /nfs/dbraw/zinc/00/37/84/1032003784.db2.gz RZXPYVKGGGCJLQ-OAHLLOKOSA-N 1 0 344.411 4.103 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C ZINC000532099229 1032041533 /nfs/dbraw/zinc/04/15/33/1032041533.db2.gz KHIYIZYXNQDYEG-HDMKZQKVSA-N 1 0 334.460 4.395 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532127304 1032054559 /nfs/dbraw/zinc/05/45/59/1032054559.db2.gz RYFAFPJRDBJDHZ-CABCVRRESA-N 1 0 348.443 4.100 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532124862 1032055353 /nfs/dbraw/zinc/05/53/53/1032055353.db2.gz KEFIRLAXHQPQCY-HUUCEWRRSA-N 1 0 348.443 4.100 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532124861 1032055837 /nfs/dbraw/zinc/05/58/37/1032055837.db2.gz KEFIRLAXHQPQCY-GJZGRUSLSA-N 1 0 348.443 4.100 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H](C3CC3)C3CCC3)cs2)c1 ZINC000453628545 1032056920 /nfs/dbraw/zinc/05/69/20/1032056920.db2.gz XPESCXPPZSQARZ-KRWDZBQOSA-N 1 0 343.452 4.387 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)cc1[N+](=O)[O-] ZINC000573640639 1033414757 /nfs/dbraw/zinc/41/47/57/1033414757.db2.gz GBRSWFXGKRLQCN-DJJJIMSYSA-N 1 0 326.396 4.330 20 5 EIBDRO Cc1cc(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000432947225 1033479044 /nfs/dbraw/zinc/47/90/44/1033479044.db2.gz ZHFJIKUWGWRELL-KRWDZBQOSA-N 1 0 327.384 4.032 20 5 EIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000120458940 1033711018 /nfs/dbraw/zinc/71/10/18/1033711018.db2.gz WOISASOBKWNIAX-CQSZACIVSA-N 1 0 349.390 4.037 20 5 EIBDRO Cc1nc(C)c(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000433127981 1033899004 /nfs/dbraw/zinc/89/90/04/1033899004.db2.gz VEDFTQAWXLRVDO-MRXNPFEDSA-N 1 0 345.468 4.223 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1F ZINC000433146013 1033930489 /nfs/dbraw/zinc/93/04/89/1033930489.db2.gz JSUJJPZTMPRDDL-KRWDZBQOSA-N 1 0 344.386 4.255 20 5 EIBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(F)cc2F)c2cc([N+](=O)[O-])ccc21 ZINC000433171085 1033975677 /nfs/dbraw/zinc/97/56/77/1033975677.db2.gz CEIJNXFROYNXOE-KRWDZBQOSA-N 1 0 332.350 4.385 20 5 EIBDRO CSC1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000433178332 1034010717 /nfs/dbraw/zinc/01/07/17/1034010717.db2.gz FZMQCJMSGJBGEL-UHFFFAOYSA-N 1 0 332.425 4.230 20 5 EIBDRO COC[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000433220419 1034069025 /nfs/dbraw/zinc/06/90/25/1034069025.db2.gz LDUDXFZRCHGQTE-MOPGFXCFSA-N 1 0 340.423 4.295 20 5 EIBDRO COc1cc(C)ccc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433280266 1034145285 /nfs/dbraw/zinc/14/52/85/1034145285.db2.gz BIWITPOMWHXAOW-SFHVURJKSA-N 1 0 340.423 4.424 20 5 EIBDRO COC1CCC(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433281139 1034150593 /nfs/dbraw/zinc/15/05/93/1034150593.db2.gz ASWOQOYBKMSRRL-RWKZGTHUSA-N 1 0 332.444 4.112 20 5 EIBDRO COc1cc(C)cc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433302192 1034194316 /nfs/dbraw/zinc/19/43/16/1034194316.db2.gz HRJDFEOIICNCBQ-IBGZPJMESA-N 1 0 340.423 4.424 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(c2ccccn2)CCC1 ZINC000513001942 1034319800 /nfs/dbraw/zinc/31/98/00/1034319800.db2.gz PXBRRBACZOVVQI-VBKFSLOCSA-N 1 0 337.423 4.105 20 5 EIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000344088150 1034546138 /nfs/dbraw/zinc/54/61/38/1034546138.db2.gz JTSWBYQGGMGRSS-OAHLLOKOSA-N 1 0 332.400 4.103 20 5 EIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000344088148 1034547460 /nfs/dbraw/zinc/54/74/60/1034547460.db2.gz JTSWBYQGGMGRSS-HNNXBMFYSA-N 1 0 332.400 4.103 20 5 EIBDRO CC[NH+](CC)Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1F ZINC000513114155 1034587706 /nfs/dbraw/zinc/58/77/06/1034587706.db2.gz XQVOHNGASKIMSR-UHFFFAOYSA-N 1 0 331.391 4.188 20 5 EIBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000513193442 1034827861 /nfs/dbraw/zinc/82/78/61/1034827861.db2.gz CYAOIGBXHBFSJY-MRXNPFEDSA-N 1 0 337.420 4.290 20 5 EIBDRO COc1ccccc1C[C@@H](C)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000513479526 1034980467 /nfs/dbraw/zinc/98/04/67/1034980467.db2.gz NGHQYBGJZHLMKB-JXMNSVBMSA-N 1 0 340.423 4.180 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000595020227 1035507007 /nfs/dbraw/zinc/50/70/07/1035507007.db2.gz WKMXYEBBDDMTSW-ACJLOTCBSA-N 1 0 326.396 4.250 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000594995490 1035520693 /nfs/dbraw/zinc/52/06/93/1035520693.db2.gz MHJPLZFXCWAHNA-JILLTSJRSA-N 1 0 338.382 4.065 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccc(OC)cc1 ZINC000595004872 1035532188 /nfs/dbraw/zinc/53/21/88/1035532188.db2.gz VBPBHOMMTLCUME-SCLBCKFNSA-N 1 0 344.411 4.414 20 5 EIBDRO CC[C@@H]([NH2+][C@H](COC)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000595071024 1035554839 /nfs/dbraw/zinc/55/48/39/1035554839.db2.gz XIBKKRIRZOGZJX-RTBURBONSA-N 1 0 344.411 4.032 20 5 EIBDRO C[C@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595071740 1035556008 /nfs/dbraw/zinc/55/60/08/1035556008.db2.gz DECCVYQXJHZVBA-NHYWBVRUSA-N 1 0 346.349 4.136 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cccc(CSC)c1 ZINC000595042678 1035564445 /nfs/dbraw/zinc/56/44/45/1035564445.db2.gz UVYOYZIXAIOONL-ZDUSSCGKSA-N 1 0 346.452 4.317 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000595046353 1035567460 /nfs/dbraw/zinc/56/74/60/1035567460.db2.gz PRTPSFRGTSXFLA-DDTOSNHZSA-N 1 0 346.349 4.375 20 5 EIBDRO COC1CC(CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000595048282 1035568370 /nfs/dbraw/zinc/56/83/70/1035568370.db2.gz JISYMZYPTFEYFP-RGKRWLCDSA-N 1 0 340.423 4.089 20 5 EIBDRO C[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000595051930 1035571974 /nfs/dbraw/zinc/57/19/74/1035571974.db2.gz XVJQPPGCTHQAGG-JTDSTZFVSA-N 1 0 339.439 4.094 20 5 EIBDRO C[C@H](O)[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000595105801 1035587916 /nfs/dbraw/zinc/58/79/16/1035587916.db2.gz YTCZTVHHLXTIOQ-FASAQXTFSA-N 1 0 340.423 4.029 20 5 EIBDRO CC1(C)OCC[C@H]1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000595105398 1035588683 /nfs/dbraw/zinc/58/86/83/1035588683.db2.gz GCRBASWGPIQVCK-HKUYNNGSSA-N 1 0 340.423 4.089 20 5 EIBDRO CC1(C)OCC[C@H]1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000595105401 1035589320 /nfs/dbraw/zinc/58/93/20/1035589320.db2.gz GCRBASWGPIQVCK-PKOBYXMFSA-N 1 0 340.423 4.089 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@H]2CCc3ccc(O)cc32)c2cc([N+](=O)[O-])ccc21 ZINC000595087817 1035593976 /nfs/dbraw/zinc/59/39/76/1035593976.db2.gz DYZQTUGMANWDDR-OALUTQOASA-N 1 0 338.407 4.300 20 5 EIBDRO Cc1noc(C[N@@H+](C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000595334486 1035631000 /nfs/dbraw/zinc/63/10/00/1035631000.db2.gz QYBHFRFVRBCKES-JQWIXIFHSA-N 1 0 337.807 4.169 20 5 EIBDRO COc1ccc(C[NH2+][C@H](C)c2nccc3ccccc32)cc1[N+](=O)[O-] ZINC000574965304 1035644442 /nfs/dbraw/zinc/64/44/42/1035644442.db2.gz KZUNDRAQIOLFQI-CYBMUJFWSA-N 1 0 337.379 4.002 20 5 EIBDRO Cc1noc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000595450222 1035681999 /nfs/dbraw/zinc/68/19/99/1035681999.db2.gz SFKNCUZVQMTHAE-ZACQAIPSSA-N 1 0 341.411 4.049 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593126958 1035806358 /nfs/dbraw/zinc/80/63/58/1035806358.db2.gz ZILWSZYXROZQNG-UFYCRDLUSA-N 1 0 338.407 4.089 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)o1 ZINC000430044177 1035852672 /nfs/dbraw/zinc/85/26/72/1035852672.db2.gz VIEJMQMAXHPCII-GFCCVEGCSA-N 1 0 336.338 4.380 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000485793458 1036265871 /nfs/dbraw/zinc/26/58/71/1036265871.db2.gz OYMSYEYHJUSOBA-KUHUBIRLSA-N 1 0 344.386 4.177 20 5 EIBDRO CC[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000588232541 1036305863 /nfs/dbraw/zinc/30/58/63/1036305863.db2.gz MOYCKKCSJCFPFJ-CRAIPNDOSA-N 1 0 348.830 4.065 20 5 EIBDRO COc1ccccc1C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000237204135 1036319753 /nfs/dbraw/zinc/31/97/53/1036319753.db2.gz VPYDLZNNOBTYNJ-CABCVRRESA-N 1 0 328.412 4.194 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421374886 1036327148 /nfs/dbraw/zinc/32/71/48/1036327148.db2.gz HYRGBYYRGFVEMS-ZBFHGGJFSA-N 1 0 334.485 4.039 20 5 EIBDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000421388228 1036348290 /nfs/dbraw/zinc/34/82/90/1036348290.db2.gz PUTUPKYUCIHHCY-HOCLYGCPSA-N 1 0 346.452 4.371 20 5 EIBDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000421392882 1036359258 /nfs/dbraw/zinc/35/92/58/1036359258.db2.gz VSPRMWLYHCCXEV-ZIAGYGMSSA-N 1 0 346.452 4.371 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000502597593 1036392119 /nfs/dbraw/zinc/39/21/19/1036392119.db2.gz WBWXYHGTYIMWBG-CHWSQXEVSA-N 1 0 342.386 4.470 20 5 EIBDRO CCOCC(C)(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000572039043 1036398294 /nfs/dbraw/zinc/39/82/94/1036398294.db2.gz VRORNMGQMJGDKM-UHFFFAOYSA-N 1 0 332.400 4.007 20 5 EIBDRO CC(C)c1cc(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])on1 ZINC000602544629 1036488350 /nfs/dbraw/zinc/48/83/50/1036488350.db2.gz ILDGKYWSRQZPJP-UHFFFAOYSA-N 1 0 343.305 4.015 20 5 EIBDRO C[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602576503 1036507899 /nfs/dbraw/zinc/50/78/99/1036507899.db2.gz CNYHUTZCEWUPBJ-BUXKBTBVSA-N 1 0 337.379 4.149 20 5 EIBDRO C[C@]1(CC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(F)F ZINC000602707831 1036580839 /nfs/dbraw/zinc/58/08/39/1036580839.db2.gz AZYFWFCIRDHMMU-LBPRGKRZSA-N 1 0 338.276 4.139 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3sccc3Cl)c2c1 ZINC000588933947 1036609685 /nfs/dbraw/zinc/60/96/85/1036609685.db2.gz ZICRMIRLSVFFMQ-UHFFFAOYSA-N 1 0 335.816 4.123 20 5 EIBDRO Cc1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cc(C)c1O ZINC000589170077 1036682531 /nfs/dbraw/zinc/68/25/31/1036682531.db2.gz IAIOKRWETMOOFL-UHFFFAOYSA-N 1 0 328.412 4.030 20 5 EIBDRO Cc1ncc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)s1 ZINC000602956242 1036686719 /nfs/dbraw/zinc/68/67/19/1036686719.db2.gz NCWVYBVRDVGYNG-MRVPVSSYSA-N 1 0 345.346 4.229 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(c2cccnc2)CC1 ZINC000589196672 1036705767 /nfs/dbraw/zinc/70/57/67/1036705767.db2.gz RLOJNBVIDXVEBP-FOWTUZBSSA-N 1 0 337.423 4.273 20 5 EIBDRO C[C@@H](C[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000603057006 1036714583 /nfs/dbraw/zinc/71/45/83/1036714583.db2.gz YBAOMPHPVZFQBZ-STQMWFEESA-N 1 0 346.431 4.320 20 5 EIBDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000421854259 1036808908 /nfs/dbraw/zinc/80/89/08/1036808908.db2.gz KHUZAPWTVLZMDG-SXLOBPIMSA-N 1 0 340.423 4.231 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000421855627 1036810545 /nfs/dbraw/zinc/81/05/45/1036810545.db2.gz MLXIIWLFDDGMHM-ILXRZTDVSA-N 1 0 338.473 4.013 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CC12CCSCC2)C1CC1 ZINC000421895558 1036845170 /nfs/dbraw/zinc/84/51/70/1036845170.db2.gz YRGOILVLGCZOTO-IRXDYDNUSA-N 1 0 346.496 4.039 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000061116668 1036853792 /nfs/dbraw/zinc/85/37/92/1036853792.db2.gz YFXAWNCIAWOOJE-UHFFFAOYSA-N 1 0 348.402 4.464 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000599086094 1036875010 /nfs/dbraw/zinc/87/50/10/1036875010.db2.gz IKCVYXVZYPKEQI-CYBMUJFWSA-N 1 0 328.334 4.294 20 5 EIBDRO CC[C@H]([NH2+][C@@H](c1ccc(OC)nc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000599096643 1036876524 /nfs/dbraw/zinc/87/65/24/1036876524.db2.gz USFYKYCQYRWAKM-PKOBYXMFSA-N 1 0 341.411 4.190 20 5 EIBDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000593676456 1036878740 /nfs/dbraw/zinc/87/87/40/1036878740.db2.gz JOXRBPWAQIBOEF-MRXNPFEDSA-N 1 0 348.349 4.282 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000545908381 1036963351 /nfs/dbraw/zinc/96/33/51/1036963351.db2.gz PQKDMGBSGUMINA-KNBMTAEXSA-N 1 0 340.423 4.474 20 5 EIBDRO CSc1ccc([C@H](CNc2ccc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000590150790 1036993177 /nfs/dbraw/zinc/99/31/77/1036993177.db2.gz GNRBPZBRYTUPEJ-ZDUSSCGKSA-N 1 0 337.470 4.093 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(F)cc2)cc(C(F)(F)F)c1 ZINC000487160270 1037016412 /nfs/dbraw/zinc/01/64/12/1037016412.db2.gz RWHNYSPEXYASOB-UHFFFAOYSA-N 1 0 328.265 4.043 20 5 EIBDRO COc1ccc(C[N@H+](C)[C@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000603856760 1037049350 /nfs/dbraw/zinc/04/93/50/1037049350.db2.gz WAOMLFPAABPTLP-GFCCVEGCSA-N 1 0 334.803 4.450 20 5 EIBDRO C[C@H](c1ccccc1Cl)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000603856673 1037049641 /nfs/dbraw/zinc/04/96/41/1037049641.db2.gz RLJLMGSFTIQSCN-CYBMUJFWSA-N 1 0 334.803 4.320 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1OCC1CC1 ZINC000572985159 1037089180 /nfs/dbraw/zinc/08/91/80/1037089180.db2.gz YLYCSWOVMNHCCE-GOSISDBHSA-N 1 0 338.407 4.161 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(OC(F)F)CC1 ZINC000590662503 1037135881 /nfs/dbraw/zinc/13/58/81/1037135881.db2.gz YBRNTQLBTCLHQH-LRVUVFPRSA-N 1 0 342.386 4.056 20 5 EIBDRO COc1ccc([C@H](C)[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000604012472 1037146684 /nfs/dbraw/zinc/14/66/84/1037146684.db2.gz GSAKFUQQESTIBX-HNNXBMFYSA-N 1 0 344.411 4.065 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000573057666 1037246720 /nfs/dbraw/zinc/24/67/20/1037246720.db2.gz MCXUSAOMAKMWOZ-AWEZNQCLSA-N 1 0 325.412 4.028 20 5 EIBDRO O=[N+]([O-])c1ccc(CNCc2ccc(Cl)c(F)c2)c(Cl)c1 ZINC000183807057 1037272777 /nfs/dbraw/zinc/27/27/77/1037272777.db2.gz AXXADNXXUAOZIK-UHFFFAOYSA-N 1 0 329.158 4.331 20 5 EIBDRO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000604408751 1037365414 /nfs/dbraw/zinc/36/54/14/1037365414.db2.gz HGZXCGAYYQJYLK-UHFFFAOYSA-N 1 0 331.441 4.254 20 5 EIBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521434 1037398219 /nfs/dbraw/zinc/39/82/19/1037398219.db2.gz JVDCBKYWVGOWGK-AEFFLSMTSA-N 1 0 346.452 4.256 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]CCOc2ccccc2-c2ccccc2)c1 ZINC000604533013 1037427689 /nfs/dbraw/zinc/42/76/89/1037427689.db2.gz QECAHQZWAFMWHF-UHFFFAOYSA-N 1 0 348.402 4.430 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3CCC(F)CC3)cs2)c1 ZINC000592376709 1037777176 /nfs/dbraw/zinc/77/71/76/1037777176.db2.gz FMCTUSKXHNMISD-UHFFFAOYSA-N 1 0 349.431 4.336 20 5 EIBDRO COc1cc(C[NH2+]C2(c3ccc(C)cc3)CCC2)ccc1[N+](=O)[O-] ZINC000592188373 1037780544 /nfs/dbraw/zinc/78/05/44/1037780544.db2.gz OCDYRVAYNQFSNH-UHFFFAOYSA-N 1 0 326.396 4.081 20 5 EIBDRO COc1ccc(C[NH2+]C2(c3ccccc3C)CCC2)cc1[N+](=O)[O-] ZINC000593038326 1037903721 /nfs/dbraw/zinc/90/37/21/1037903721.db2.gz CDYOJWGIPLABTQ-UHFFFAOYSA-N 1 0 326.396 4.081 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000593055631 1037914154 /nfs/dbraw/zinc/91/41/54/1037914154.db2.gz XORMNBFDYLQKMN-JTQLQIEISA-N 1 0 332.297 4.022 20 5 EIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593077230 1037975833 /nfs/dbraw/zinc/97/58/33/1037975833.db2.gz PGBBCWJAJHZZMJ-UHFFFAOYSA-N 1 0 340.370 4.003 20 5 EIBDRO CCC[C@@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000503936784 1038023875 /nfs/dbraw/zinc/02/38/75/1038023875.db2.gz IZTFTKLYDYGZDC-RBSFLKMASA-N 1 0 328.359 4.186 20 5 EIBDRO CC[C@@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000423352581 1038164772 /nfs/dbraw/zinc/16/47/72/1038164772.db2.gz KTPIGXULHKHJLC-MOPGFXCFSA-N 1 0 325.412 4.295 20 5 EIBDRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423356086 1038169450 /nfs/dbraw/zinc/16/94/50/1038169450.db2.gz PXAKJCQUGSZPFL-VQTJNVASSA-N 1 0 337.423 4.222 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CSCc2ccccc21 ZINC000594493462 1038342764 /nfs/dbraw/zinc/34/27/64/1038342764.db2.gz PLRAHQMMEDWZKE-IRXDYDNUSA-N 1 0 326.421 4.160 20 5 EIBDRO CCCCCn1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000504393729 1038350675 /nfs/dbraw/zinc/35/06/75/1038350675.db2.gz JLASHQCGWUBGRT-CQSZACIVSA-N 1 0 330.432 4.141 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000594519884 1038360915 /nfs/dbraw/zinc/36/09/15/1038360915.db2.gz MKXQIPFTNPACIV-ZBFHGGJFSA-N 1 0 348.443 4.136 20 5 EIBDRO COc1ccc(CC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000504477264 1038379511 /nfs/dbraw/zinc/37/95/11/1038379511.db2.gz MZGXQJZWVOWOEV-UHFFFAOYSA-N 1 0 340.423 4.058 20 5 EIBDRO C[C@@]1(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1(F)F ZINC000594978816 1038494456 /nfs/dbraw/zinc/49/44/56/1038494456.db2.gz WMIHDCBHZJKHSS-MRXNPFEDSA-N 1 0 336.338 4.380 20 5 EIBDRO COc1ccc(CCC[N@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000490312298 1038499428 /nfs/dbraw/zinc/49/94/28/1038499428.db2.gz BDXQQCLWUMRHEL-OAHLLOKOSA-N 1 0 328.412 4.229 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)Oc2ccccc2)cc1[N+](=O)[O-] ZINC000539082696 1038828406 /nfs/dbraw/zinc/82/84/06/1038828406.db2.gz CQTTUSCPFWTFAF-HUUCEWRRSA-N 1 0 344.411 4.112 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1scnc1C ZINC000504899272 1038833952 /nfs/dbraw/zinc/83/39/52/1038833952.db2.gz CZBKOUVZKODVBU-LBPRGKRZSA-N 1 0 337.470 4.020 20 5 EIBDRO Cc1cc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461935717 1038837939 /nfs/dbraw/zinc/83/79/39/1038837939.db2.gz KQBJPGONPVGCEV-KGLIPLIRSA-N 1 0 335.423 4.107 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000504920347 1038843053 /nfs/dbraw/zinc/84/30/53/1038843053.db2.gz NTNNSFCENOVJMI-GUYCJALGSA-N 1 0 326.396 4.250 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000504918463 1038843525 /nfs/dbraw/zinc/84/35/25/1038843525.db2.gz HNZPRTSJAXWYAZ-CXAGYDPISA-N 1 0 326.396 4.332 20 5 EIBDRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000192807723 1038870436 /nfs/dbraw/zinc/87/04/36/1038870436.db2.gz RCTLDHARQPURSU-CHWSQXEVSA-N 1 0 332.375 4.463 20 5 EIBDRO CC(C)COCCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000608835580 1038924351 /nfs/dbraw/zinc/92/43/51/1038924351.db2.gz AMMWGVWQURUUDU-UHFFFAOYSA-N 1 0 348.468 4.476 20 5 EIBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000477926251 1039214982 /nfs/dbraw/zinc/21/49/82/1039214982.db2.gz KVNIBHKDERNXIZ-XAUMDUMWSA-N 1 0 340.423 4.332 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000513822891 1039302032 /nfs/dbraw/zinc/30/20/32/1039302032.db2.gz KRNUNKSVYPMXRA-GXTWGEPZSA-N 1 0 330.350 4.238 20 5 EIBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000927035175 1039352901 /nfs/dbraw/zinc/35/29/01/1039352901.db2.gz GCDRUFRZAYDBHI-WFASDCNBSA-N 1 0 338.448 4.073 20 5 EIBDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000481375621 1039362120 /nfs/dbraw/zinc/36/21/20/1039362120.db2.gz IOXLGOLXDYOZPO-SJKOYZFVSA-N 1 0 334.803 4.114 20 5 EIBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000481415988 1039402858 /nfs/dbraw/zinc/40/28/58/1039402858.db2.gz YNCRMPFDWBKEJE-ACJLOTCBSA-N 1 0 348.830 4.422 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594490661 1039432084 /nfs/dbraw/zinc/43/20/84/1039432084.db2.gz OPRCQNYTWVWCNR-UGSOOPFHSA-N 1 0 326.396 4.332 20 5 EIBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000481476460 1039487060 /nfs/dbraw/zinc/48/70/60/1039487060.db2.gz ACQYNTBESXTGAL-SJCJKPOMSA-N 1 0 334.803 4.114 20 5 EIBDRO COc1ccccc1CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000505456441 1039775253 /nfs/dbraw/zinc/77/52/53/1039775253.db2.gz AJSHYBVBOYAUEM-OAHLLOKOSA-N 1 0 328.412 4.195 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000481720301 1039799185 /nfs/dbraw/zinc/79/91/85/1039799185.db2.gz VHMZNGAEYZUEOD-HNNXBMFYSA-N 1 0 335.407 4.345 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCO[C@@H]2CCCc3ccccc32)c1 ZINC000237991064 1039831895 /nfs/dbraw/zinc/83/18/95/1039831895.db2.gz TZJRKVZBGSVABS-HXUWFJFHSA-N 1 0 340.423 4.169 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@H](c3ccccc3F)C2)c(F)c1 ZINC000481813908 1039842650 /nfs/dbraw/zinc/84/26/50/1039842650.db2.gz LLOJLPPOHKIAJH-JSGCOSHPSA-N 1 0 332.350 4.299 20 5 EIBDRO COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000481958552 1039914384 /nfs/dbraw/zinc/91/43/84/1039914384.db2.gz SOJBKODKPHEUST-CABCVRRESA-N 1 0 328.412 4.275 20 5 EIBDRO Cc1ccc(C[NH+]2CCC(OCC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000535083728 1039925799 /nfs/dbraw/zinc/92/57/99/1039925799.db2.gz RRKUHAGXSDQBDR-UHFFFAOYSA-N 1 0 346.471 4.465 20 5 EIBDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000159413601 1039972565 /nfs/dbraw/zinc/97/25/65/1039972565.db2.gz AKTJWFMVRUUKIB-UHFFFAOYSA-N 1 0 327.222 4.122 20 5 EIBDRO CCC[C@@H]([NH2+][C@H](C)Cc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000482514000 1040311826 /nfs/dbraw/zinc/31/18/26/1040311826.db2.gz SBYWMPLRKXIDMS-AUUYWEPGSA-N 1 0 328.412 4.362 20 5 EIBDRO CC[C@@H]([NH2+]CCc1ccc(OC)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000482524504 1040323588 /nfs/dbraw/zinc/32/35/88/1040323588.db2.gz AVMGFVUQMFYYHI-QGZVFWFLSA-N 1 0 332.375 4.026 20 5 EIBDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000479480009 1040386003 /nfs/dbraw/zinc/38/60/03/1040386003.db2.gz MUCIJLJMGLGOGB-APWZRJJASA-N 1 0 342.439 4.283 20 5 EIBDRO CC(F)(F)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000514949096 1040388510 /nfs/dbraw/zinc/38/85/10/1040388510.db2.gz BAUGMWDGXVXHSZ-MRXNPFEDSA-N 1 0 332.350 4.484 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(F)cc2C(F)(F)F)cc1 ZINC000325425378 1040417253 /nfs/dbraw/zinc/41/72/53/1040417253.db2.gz XWUUULUQKOIJGN-UHFFFAOYSA-N 1 0 342.292 4.085 20 5 EIBDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000152795940 1040445741 /nfs/dbraw/zinc/44/57/41/1040445741.db2.gz SMCWZSXRLUEILN-STQMWFEESA-N 1 0 330.384 4.024 20 5 EIBDRO CC[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)(C)C ZINC000539492894 1040478486 /nfs/dbraw/zinc/47/84/86/1040478486.db2.gz KHJMCCUIORXBKZ-MRXNPFEDSA-N 1 0 331.416 4.207 20 5 EIBDRO CC[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)(C)C ZINC000539492893 1040478782 /nfs/dbraw/zinc/47/87/82/1040478782.db2.gz KHJMCCUIORXBKZ-INIZCTEOSA-N 1 0 331.416 4.207 20 5 EIBDRO CO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@H](C)C1 ZINC000443065985 1040514206 /nfs/dbraw/zinc/51/42/06/1040514206.db2.gz BRIURUOONOGOSR-KGLIPLIRSA-N 1 0 346.452 4.323 20 5 EIBDRO C[C@@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000435671351 1040535306 /nfs/dbraw/zinc/53/53/06/1040535306.db2.gz CJKKMNUSHSGRHV-JDSLSITLSA-N 1 0 332.350 4.470 20 5 EIBDRO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000539633919 1040624039 /nfs/dbraw/zinc/62/40/39/1040624039.db2.gz AQBRBBFWOFGJOR-DLBZAZTESA-N 1 0 334.460 4.402 20 5 EIBDRO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000539633920 1040624555 /nfs/dbraw/zinc/62/45/55/1040624555.db2.gz AQBRBBFWOFGJOR-IAGOWNOFSA-N 1 0 334.460 4.402 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000152862692 1040649500 /nfs/dbraw/zinc/64/95/00/1040649500.db2.gz DGCCNTQOTNEKCN-DOMZBBRYSA-N 1 0 330.384 4.315 20 5 EIBDRO C[C@@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(C)(C)C1 ZINC000539829045 1040824728 /nfs/dbraw/zinc/82/47/28/1040824728.db2.gz UMLUFCMVHUFPLX-LBPRGKRZSA-N 1 0 331.441 4.339 20 5 EIBDRO Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000483434566 1040857232 /nfs/dbraw/zinc/85/72/32/1040857232.db2.gz DRSGAPUCVSIPGH-AWEZNQCLSA-N 1 0 330.350 4.314 20 5 EIBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)Oc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000483541413 1040887846 /nfs/dbraw/zinc/88/78/46/1040887846.db2.gz GOLKYLFRGUJYHK-JSGCOSHPSA-N 1 0 332.375 4.160 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000537940828 1040906753 /nfs/dbraw/zinc/90/67/53/1040906753.db2.gz XZNOMLWDAOWMIC-ZBFHGGJFSA-N 1 0 343.402 4.054 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000537951877 1040920416 /nfs/dbraw/zinc/92/04/16/1040920416.db2.gz GWHVTUJCOGAHAB-LLVKDONJSA-N 1 0 328.359 4.222 20 5 EIBDRO COc1ccc(O[C@@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000483649965 1040930057 /nfs/dbraw/zinc/93/00/57/1040930057.db2.gz FADLPNPQCOXPNY-ZFWWWQNUSA-N 1 0 344.411 4.030 20 5 EIBDRO COc1ccc(O[C@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000483649964 1040931456 /nfs/dbraw/zinc/93/14/56/1040931456.db2.gz FADLPNPQCOXPNY-UKRRQHHQSA-N 1 0 344.411 4.030 20 5 EIBDRO C[C@@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000436286758 1041039024 /nfs/dbraw/zinc/03/90/24/1041039024.db2.gz BBWJVWFBDSZYNO-BEFAXECRSA-N 1 0 331.460 4.043 20 5 EIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000505802383 1041142895 /nfs/dbraw/zinc/14/28/95/1041142895.db2.gz NFQUVAYAELDWPB-OAHLLOKOSA-N 1 0 332.350 4.080 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540164859 1041226001 /nfs/dbraw/zinc/22/60/01/1041226001.db2.gz OIZHLYJMEOMAFC-TYILLQQXSA-N 1 0 346.402 4.469 20 5 EIBDRO COC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1 ZINC000540185650 1041253374 /nfs/dbraw/zinc/25/33/74/1041253374.db2.gz WHJJIZYRWMKDJR-SUMWQHHRSA-N 1 0 332.375 4.081 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000538406203 1041302082 /nfs/dbraw/zinc/30/20/82/1041302082.db2.gz SQAVKPBECWYAJK-JCGVRSQUSA-N 1 0 332.375 4.161 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000484548013 1041320890 /nfs/dbraw/zinc/32/08/90/1041320890.db2.gz ZUZWFHQMVSXQRH-SFHVURJKSA-N 1 0 326.396 4.249 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000538429357 1041334500 /nfs/dbraw/zinc/33/45/00/1041334500.db2.gz BSEVHWLTANBYKB-ZXYDQQDNSA-N 1 0 340.448 4.228 20 5 EIBDRO CCC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000538587885 1041439264 /nfs/dbraw/zinc/43/92/64/1041439264.db2.gz KZHAAOLAOFQRFN-FCGDIQPGSA-N 1 0 344.455 4.373 20 5 EIBDRO Cc1c(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000554845545 1041443458 /nfs/dbraw/zinc/44/34/58/1041443458.db2.gz BISHBVHRYHADKO-OAHLLOKOSA-N 1 0 342.361 4.458 20 5 EIBDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)OC ZINC000516217104 1041466460 /nfs/dbraw/zinc/46/64/60/1041466460.db2.gz CODWUYXQGPAZPN-QWHCGFSZSA-N 1 0 334.441 4.399 20 5 EIBDRO COc1cc(CN(C)[C@@H](C)c2ccc(C)cc2)c([N+](=O)[O-])cc1F ZINC000463493780 1041589211 /nfs/dbraw/zinc/58/92/11/1041589211.db2.gz YSBQCLZSFPJSAC-ZDUSSCGKSA-N 1 0 332.375 4.244 20 5 EIBDRO COc1cc(C[N@H+](C)[C@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000540902171 1041725986 /nfs/dbraw/zinc/72/59/86/1041725986.db2.gz YHAZTHLSSQZVOA-KRWDZBQOSA-N 1 0 326.396 4.113 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]CCCNc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000541557999 1042013178 /nfs/dbraw/zinc/01/31/78/1042013178.db2.gz FTBRYAFDNZDGNO-AWEZNQCLSA-N 1 0 331.391 4.195 20 5 EIBDRO CCCC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCC1 ZINC000541592927 1042026346 /nfs/dbraw/zinc/02/63/46/1042026346.db2.gz IMDLVWLWKGDGBA-KRWDZBQOSA-N 1 0 347.459 4.180 20 5 EIBDRO C[C@H]([NH2+]C1(CNc2ncccc2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000517577530 1042079806 /nfs/dbraw/zinc/07/98/06/1042079806.db2.gz AOMATYZKCMRZAO-HNNXBMFYSA-N 1 0 340.427 4.065 20 5 EIBDRO COC1CCC(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000541738392 1042089590 /nfs/dbraw/zinc/08/95/90/1042089590.db2.gz KYSDWMMBUBTXEP-PPSBMQLTSA-N 1 0 346.471 4.101 20 5 EIBDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000464731337 1042135557 /nfs/dbraw/zinc/13/55/57/1042135557.db2.gz FDWZAXAMDAQFBP-CJNGLKHVSA-N 1 0 344.415 4.045 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414929688 1042176975 /nfs/dbraw/zinc/17/69/75/1042176975.db2.gz OIESBBZFALPZTL-LIRRHRJNSA-N 1 0 339.439 4.165 20 5 EIBDRO CCC[C@]1(C)CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000464843251 1042193372 /nfs/dbraw/zinc/19/33/72/1042193372.db2.gz RULSDUGUFJVZRX-GOSISDBHSA-N 1 0 344.415 4.047 20 5 EIBDRO COCc1cc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])ccc1OC ZINC000271777230 1042358444 /nfs/dbraw/zinc/35/84/44/1042358444.db2.gz KZNCOUZGOGOSEE-ZIAGYGMSSA-N 1 0 344.411 4.162 20 5 EIBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000509554946 1042363789 /nfs/dbraw/zinc/36/37/89/1042363789.db2.gz HYRFGWYQTAKLEN-YYRKOSNBSA-N 1 0 326.396 4.397 20 5 EIBDRO COCC(C)(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000491472045 1042454765 /nfs/dbraw/zinc/45/47/65/1042454765.db2.gz QNKKBIUAYCTBFP-UHFFFAOYSA-N 1 0 334.441 4.086 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CC=CCC3)o2)c([N+](=O)[O-])c1 ZINC000518276715 1042455269 /nfs/dbraw/zinc/45/52/69/1042455269.db2.gz LFEJPGFMXDKPKE-CQSZACIVSA-N 1 0 342.395 4.309 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000271855630 1042462867 /nfs/dbraw/zinc/46/28/67/1042462867.db2.gz YGWUXOSTAJCBID-QWHCGFSZSA-N 1 0 329.356 4.223 20 5 EIBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000518472988 1042539626 /nfs/dbraw/zinc/53/96/26/1042539626.db2.gz DNPUMXFNTZBCOY-CQSZACIVSA-N 1 0 332.375 4.196 20 5 EIBDRO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130189408 1042546237 /nfs/dbraw/zinc/54/62/37/1042546237.db2.gz USXBTOOPDSUSFT-MJEQTWJJSA-N 1 0 343.427 4.262 20 5 EIBDRO CC(C)([NH2+]C/C=C\c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000492150753 1042566294 /nfs/dbraw/zinc/56/62/94/1042566294.db2.gz KBLMVKYHQRZZOZ-WAYWQWQTSA-N 1 0 332.350 4.411 20 5 EIBDRO CC(C)Cc1ncc(CNC(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000492192412 1042574980 /nfs/dbraw/zinc/57/49/80/1042574980.db2.gz GFHQBESQRUIJJQ-UHFFFAOYSA-N 1 0 333.457 4.275 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1CN(Cc1cccc(F)c1)C(C)C ZINC000518597181 1042582412 /nfs/dbraw/zinc/58/24/12/1042582412.db2.gz NBYOMNWHQFJKAP-UHFFFAOYSA-N 1 0 332.375 4.153 20 5 EIBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000492223227 1042584011 /nfs/dbraw/zinc/58/40/11/1042584011.db2.gz KGZHTAYINVXCFH-RYGJVYDSSA-N 1 0 342.439 4.071 20 5 EIBDRO CC(C)CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000506585403 1042639448 /nfs/dbraw/zinc/63/94/48/1042639448.db2.gz YBURDBQDMHRBBS-UHFFFAOYSA-N 1 0 342.443 4.006 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCCOCc1ccccc1 ZINC000439474083 1042646232 /nfs/dbraw/zinc/64/62/32/1042646232.db2.gz MYBKBXCWDQKEQU-INIZCTEOSA-N 1 0 328.412 4.195 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2cccnc2)C2CCCCC2)cc1 ZINC000609157692 1042661934 /nfs/dbraw/zinc/66/19/34/1042661934.db2.gz PEHJSMMEKIGCPA-HXUWFJFHSA-N 1 0 339.439 4.444 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2ccco2)s1 ZINC000518771261 1042679416 /nfs/dbraw/zinc/67/94/16/1042679416.db2.gz QAFBDRNPSOLSFE-UHFFFAOYSA-N 1 0 328.393 4.249 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCOC3CCCCC3)o2)c1 ZINC000518772769 1042680592 /nfs/dbraw/zinc/68/05/92/1042680592.db2.gz AXFWFWCUXQDRNE-UHFFFAOYSA-N 1 0 344.411 4.294 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000518795740 1042697214 /nfs/dbraw/zinc/69/72/14/1042697214.db2.gz CLEJTWXLHCPAIR-QZTJIDSGSA-N 1 0 326.371 4.388 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000518795742 1042697282 /nfs/dbraw/zinc/69/72/82/1042697282.db2.gz CLEJTWXLHCPAIR-ZWKOTPCHSA-N 1 0 326.371 4.388 20 5 EIBDRO CCOc1cc(CN(C)[C@H](C)c2sc(C)nc2C)ccc1[N+](=O)[O-] ZINC000492626972 1042713324 /nfs/dbraw/zinc/71/33/24/1042713324.db2.gz BXBXNEOFJDAWDH-GFCCVEGCSA-N 1 0 349.456 4.260 20 5 EIBDRO CCOc1cc(C[NH2+][C@H](C)c2cccc(C)c2C)ccc1[N+](=O)[O-] ZINC000492772181 1042746148 /nfs/dbraw/zinc/74/61/48/1042746148.db2.gz NOWMMYLOAXDAFR-OAHLLOKOSA-N 1 0 328.412 4.461 20 5 EIBDRO COc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)C(C)C)cc1 ZINC000493012559 1042791298 /nfs/dbraw/zinc/79/12/98/1042791298.db2.gz ZEHQEGDEKRNRDH-LJQANCHMSA-N 1 0 344.411 4.099 20 5 EIBDRO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1(C)CCCC1 ZINC000426532949 1042808303 /nfs/dbraw/zinc/80/83/03/1042808303.db2.gz NBSQNAZTSFQZHT-UHFFFAOYSA-N 1 0 331.441 4.483 20 5 EIBDRO COc1ccc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)cc1 ZINC000761507838 1042872131 /nfs/dbraw/zinc/87/21/31/1042872131.db2.gz YRWDVUZWPCCZOO-OAHLLOKOSA-N 1 0 346.814 4.246 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(c3ccc(F)cc3)CC2)cc1Cl ZINC000761523906 1042874521 /nfs/dbraw/zinc/87/45/21/1042874521.db2.gz ZAUUFYGYWGMWND-UHFFFAOYSA-N 1 0 334.778 4.209 20 5 EIBDRO Cc1ccc2c(CC[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)c[nH]c2c1 ZINC000761520552 1042875235 /nfs/dbraw/zinc/87/52/35/1042875235.db2.gz BIZJEDREIRWKMF-UHFFFAOYSA-N 1 0 343.814 4.370 20 5 EIBDRO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761521149 1042875243 /nfs/dbraw/zinc/87/52/43/1042875243.db2.gz JVDJOTBDGIGKAY-LBPRGKRZSA-N 1 0 334.803 4.416 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cc3ccccc3o2)cc1Cl ZINC000761527287 1042875845 /nfs/dbraw/zinc/87/58/45/1042875845.db2.gz RPZCITQSVIBEGU-UHFFFAOYSA-N 1 0 330.771 4.327 20 5 EIBDRO COc1ccc([C@H]2CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)cc1 ZINC000493505590 1042921367 /nfs/dbraw/zinc/92/13/67/1042921367.db2.gz XSHJGGPLOVCICI-AWEZNQCLSA-N 1 0 346.814 4.246 20 5 EIBDRO CC[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000493995345 1042999189 /nfs/dbraw/zinc/99/91/89/1042999189.db2.gz DBRSWFKNVXEOTM-QGZVFWFLSA-N 1 0 331.391 4.193 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000766038859 1043140882 /nfs/dbraw/zinc/14/08/82/1043140882.db2.gz RCQFWYUGCDGQCN-KUHUBIRLSA-N 1 0 342.439 4.277 20 5 EIBDRO NC(=O)C1CCC([NH2+]Cc2c3ccccc3cc3ccccc32)CC1 ZINC000727645690 1043254609 /nfs/dbraw/zinc/25/46/09/1043254609.db2.gz ZXBJDFJTTMQRLE-UHFFFAOYSA-N 1 0 332.447 4.127 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](CC)c1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000133792111 1043303732 /nfs/dbraw/zinc/30/37/32/1043303732.db2.gz PQQJTGFXTHVCKP-SJORKVTESA-N 1 0 330.432 4.137 20 5 EIBDRO C[C@H](Cc1cccc(Br)c1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000520948013 1043452642 /nfs/dbraw/zinc/45/26/42/1043452642.db2.gz MLVLAXIJDDAHAK-GFCCVEGCSA-N 1 0 349.228 4.078 20 5 EIBDRO CC[C@@H]([NH2+][C@H]1CCCc2nc(C)sc21)c1cccc([N+](=O)[O-])c1 ZINC000161624856 1043833699 /nfs/dbraw/zinc/83/36/99/1043833699.db2.gz FWNGUKBRJPVZJS-ZBFHGGJFSA-N 1 0 331.441 4.478 20 5 EIBDRO C[NH+](C)Cc1ccc(CNc2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000301877108 1043874610 /nfs/dbraw/zinc/87/46/10/1043874610.db2.gz KRYLFVNRIXULMH-UHFFFAOYSA-N 1 0 337.782 4.061 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-n2cccn2)cc1 ZINC000173456602 1043974980 /nfs/dbraw/zinc/97/49/80/1043974980.db2.gz CXPPIQXTTVQUFQ-GJZGRUSLSA-N 1 0 336.395 4.192 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc(Cl)c2Cl)cc1 ZINC000040675913 1043998312 /nfs/dbraw/zinc/99/83/12/1043998312.db2.gz NBJHCDITLYXMJJ-UHFFFAOYSA-N 1 0 325.195 4.234 20 5 EIBDRO Cc1cccc2oc(CC[NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3C)nc21 ZINC000521848557 1044023211 /nfs/dbraw/zinc/02/32/11/1044023211.db2.gz KLNLVVIHTXCTKY-AWEZNQCLSA-N 1 0 339.395 4.246 20 5 EIBDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000521837062 1044028393 /nfs/dbraw/zinc/02/83/93/1044028393.db2.gz YDVMRXXLCTUAKC-KGLIPLIRSA-N 1 0 348.390 4.377 20 5 EIBDRO C[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC(C)(C)C1 ZINC000543171530 1044034803 /nfs/dbraw/zinc/03/48/03/1044034803.db2.gz GDZMEDIFOZDTGL-CYBMUJFWSA-N 1 0 329.400 4.118 20 5 EIBDRO Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000443218875 1044108861 /nfs/dbraw/zinc/10/88/61/1044108861.db2.gz UOECOSKSRIFQRM-QINHECLXSA-N 1 0 341.455 4.245 20 5 EIBDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116279343 1044157520 /nfs/dbraw/zinc/15/75/20/1044157520.db2.gz AAOVCSYJJVIHOO-OAHLLOKOSA-N 1 0 326.824 4.029 20 5 EIBDRO CC[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000766127157 1044287593 /nfs/dbraw/zinc/28/75/93/1044287593.db2.gz ALUZQLGENFCALY-DOTOQJQBSA-N 1 0 331.460 4.122 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc1 ZINC000474048123 1044298745 /nfs/dbraw/zinc/29/87/45/1044298745.db2.gz WFHRKQQLCHCERL-YSIASYRMSA-N 1 0 346.471 4.102 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000116922697 1044323445 /nfs/dbraw/zinc/32/34/45/1044323445.db2.gz JFTXAAFFTXVHRK-HWKANZROSA-N 1 0 339.370 4.061 20 5 EIBDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccsc2S1 ZINC000316931812 1044376200 /nfs/dbraw/zinc/37/62/00/1044376200.db2.gz DXYLORQDRRJXMF-XHDPSFHLSA-N 1 0 334.466 4.414 20 5 EIBDRO CCC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000766191378 1044391815 /nfs/dbraw/zinc/39/18/15/1044391815.db2.gz DSUXDPBVJKYYJH-QGZVFWFLSA-N 1 0 343.383 4.177 20 5 EIBDRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000466420411 1044443762 /nfs/dbraw/zinc/44/37/62/1044443762.db2.gz AMFKUIGAAKFHCF-TZMCWYRMSA-N 1 0 331.441 4.244 20 5 EIBDRO CC(C)c1ccc(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000466465618 1044553562 /nfs/dbraw/zinc/55/35/62/1044553562.db2.gz NNLWXPAOXMYRDH-MOPGFXCFSA-N 1 0 332.444 4.013 20 5 EIBDRO c1ccc2c(c1)cc1ccccc1c2C[NH2+]CCOC[C@@H]1CCCO1 ZINC000734509895 1044591171 /nfs/dbraw/zinc/59/11/71/1044591171.db2.gz SESMCSICXPJJAR-IBGZPJMESA-N 1 0 335.447 4.278 20 5 EIBDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000326185080 1044681849 /nfs/dbraw/zinc/68/18/49/1044681849.db2.gz KNZCDXYOIFVRCS-CQSZACIVSA-N 1 0 328.412 4.023 20 5 EIBDRO O=C1NC2(CO1)CC[NH+](Cc1c3ccccc3cc3ccccc31)CC2 ZINC000495174256 1044755922 /nfs/dbraw/zinc/75/59/22/1044755922.db2.gz NUGGNUJQMOYXRB-UHFFFAOYSA-N 1 0 346.430 4.067 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCc3ccccc3C2)c1 ZINC000735323575 1044791306 /nfs/dbraw/zinc/79/13/06/1044791306.db2.gz FAVHRRLBJNQPNT-CYBMUJFWSA-N 1 0 330.815 4.143 20 5 EIBDRO COc1ccc(C[NH2+]C(C)(C)Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000237315187 1044835472 /nfs/dbraw/zinc/83/54/72/1044835472.db2.gz DSTQYSWYNAKVDW-UHFFFAOYSA-N 1 0 328.412 4.023 20 5 EIBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc(OC)c(OC)c1 ZINC000276933771 1044839804 /nfs/dbraw/zinc/83/98/04/1044839804.db2.gz SPHPGADJAQWYDD-INIZCTEOSA-N 1 0 344.411 4.161 20 5 EIBDRO COc1ccc2ccccc2c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000237329759 1044849433 /nfs/dbraw/zinc/84/94/33/1044849433.db2.gz SIZOSLFTHQUYLA-UHFFFAOYSA-N 1 0 336.391 4.355 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000330734338 1044914085 /nfs/dbraw/zinc/91/40/85/1044914085.db2.gz UUDLRRBRDGEJFQ-CQSZACIVSA-N 1 0 348.443 4.018 20 5 EIBDRO O=[N+]([O-])c1cnc(NCCCCCCC[NH+]2CCCC2)c(Cl)c1 ZINC000736285062 1044921404 /nfs/dbraw/zinc/92/14/04/1044921404.db2.gz CYMLSNBTGLKNNI-UHFFFAOYSA-N 1 0 340.855 4.101 20 5 EIBDRO COc1cccc(C2([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000272261218 1044993187 /nfs/dbraw/zinc/99/31/87/1044993187.db2.gz LTJOIJURLCOCOX-AWEZNQCLSA-N 1 0 326.396 4.252 20 5 EIBDRO COc1ccccc1[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000495421785 1045090195 /nfs/dbraw/zinc/09/01/95/1045090195.db2.gz VKFDRASGJUBTNP-LBPRGKRZSA-N 1 0 334.803 4.150 20 5 EIBDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000186698475 1045139749 /nfs/dbraw/zinc/13/97/49/1045139749.db2.gz QFYQFVSIBOBEFV-UGSOOPFHSA-N 1 0 342.395 4.168 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000740002908 1045174063 /nfs/dbraw/zinc/17/40/63/1045174063.db2.gz RXSBSDQFWZAAGG-UHFFFAOYSA-N 1 0 329.787 4.062 20 5 EIBDRO Cc1c(C[NH2+]Cc2csc(Br)c2)cccc1[N+](=O)[O-] ZINC000225786780 1045178591 /nfs/dbraw/zinc/17/85/91/1045178591.db2.gz MKBGUZDMLNBPIU-UHFFFAOYSA-N 1 0 341.230 4.017 20 5 EIBDRO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000611081109 1045250592 /nfs/dbraw/zinc/25/05/92/1045250592.db2.gz USXBTOOPDSUSFT-NUTKFTJISA-N 1 0 343.427 4.262 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](c4ccco4)C3)o2)cc1 ZINC000611271269 1045270552 /nfs/dbraw/zinc/27/05/52/1045270552.db2.gz GBQKKWVBQJCFAW-OAHLLOKOSA-N 1 0 338.363 4.437 20 5 EIBDRO Cc1nc([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000611335956 1045281358 /nfs/dbraw/zinc/28/13/58/1045281358.db2.gz PKDASOKWLXRRPN-GFCCVEGCSA-N 1 0 333.457 4.342 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]CCCCC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000611367513 1045289282 /nfs/dbraw/zinc/28/92/82/1045289282.db2.gz IFBDRORFJGOYIJ-CQSZACIVSA-N 1 0 336.432 4.066 20 5 EIBDRO Cc1ccccc1[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000611433894 1045305693 /nfs/dbraw/zinc/30/56/93/1045305693.db2.gz URLZCFJAHGGHRV-IBGZPJMESA-N 1 0 337.379 4.285 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(c2ccccn2)CC1 ZINC000611516759 1045320488 /nfs/dbraw/zinc/32/04/88/1045320488.db2.gz SIWZCCADJVGTEJ-HNNXBMFYSA-N 1 0 325.412 4.239 20 5 EIBDRO COc1ccc(C[N@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000611515137 1045320933 /nfs/dbraw/zinc/32/09/33/1045320933.db2.gz PRVKODXBHADGQL-AWEZNQCLSA-N 1 0 344.411 4.113 20 5 EIBDRO COc1cccc(C2([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000272335476 1045416929 /nfs/dbraw/zinc/41/69/29/1045416929.db2.gz YTZYXOPNPWKCMA-CQSZACIVSA-N 1 0 326.396 4.252 20 5 EIBDRO CSC1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000193816137 1045509280 /nfs/dbraw/zinc/50/92/80/1045509280.db2.gz SYJWRJYYJCUCSI-KRWDZBQOSA-N 1 0 328.437 4.169 20 5 EIBDRO Cc1ccc(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000533579696 1045604773 /nfs/dbraw/zinc/60/47/73/1045604773.db2.gz DCTPSPYTEIOLPV-YJBOKZPZSA-N 1 0 328.412 4.040 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609233600 1045699411 /nfs/dbraw/zinc/69/94/11/1045699411.db2.gz GSPJKJVQTHZASV-HNAYVOBHSA-N 1 0 326.396 4.119 20 5 EIBDRO COCC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000272637866 1045706357 /nfs/dbraw/zinc/70/63/57/1045706357.db2.gz NZMIQYYVSIZGJU-HOCLYGCPSA-N 1 0 332.400 4.233 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](SC)C1 ZINC000768100913 1045712837 /nfs/dbraw/zinc/71/28/37/1045712837.db2.gz AEAIDBWXAXWXEF-HZSPNIEDSA-N 1 0 340.514 4.339 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)COc2ccccc2)cc1[N+](=O)[O-] ZINC000768100821 1045713138 /nfs/dbraw/zinc/71/31/38/1045713138.db2.gz ZATYMPIWTAVVOV-CABCVRRESA-N 1 0 344.411 4.112 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]CC(C)(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170295774 1045980404 /nfs/dbraw/zinc/98/04/04/1045980404.db2.gz FABJUZFFPUWKLS-HNNXBMFYSA-N 1 0 342.439 4.102 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+][C@H](c2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC001170298956 1045981806 /nfs/dbraw/zinc/98/18/06/1045981806.db2.gz OPLLNJNYLOQQOY-VBKZILBWSA-N 1 0 340.423 4.275 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]CCCc2ccc(C)s2)c([N+](=O)[O-])c1 ZINC001170298140 1045982505 /nfs/dbraw/zinc/98/25/05/1045982505.db2.gz GHNDFYDSKSMZNG-ZDUSSCGKSA-N 1 0 348.468 4.127 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1ccncc1 ZINC001170317254 1045996148 /nfs/dbraw/zinc/99/61/48/1045996148.db2.gz DGSAIXQHVMPADA-KSSFIOAISA-N 1 0 343.427 4.060 20 5 EIBDRO C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H](c1ccccc1)[NH+](C)C ZINC000769930534 1046113741 /nfs/dbraw/zinc/11/37/41/1046113741.db2.gz LDXZCTXEBQBGAP-ACJLOTCBSA-N 1 0 347.846 4.029 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](O)c1ccccc1 ZINC000793242134 1046187989 /nfs/dbraw/zinc/18/79/89/1046187989.db2.gz PDMBIQDZGQATEP-AEFFLSMTSA-N 1 0 348.830 4.240 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000536708559 1046717940 /nfs/dbraw/zinc/71/79/40/1046717940.db2.gz YWZJUZNBIIMAEV-OAHLLOKOSA-N 1 0 325.412 4.006 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CCC3(CCCCC3)CC2)cc1 ZINC000786147111 1046811877 /nfs/dbraw/zinc/81/18/77/1046811877.db2.gz CKFYVJHYXWHFPT-SFHVURJKSA-N 1 0 332.444 4.111 20 5 EIBDRO CSc1ccc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1F ZINC000536838783 1046813902 /nfs/dbraw/zinc/81/39/02/1046813902.db2.gz KFZMGDWMEVMHBA-GFCCVEGCSA-N 1 0 334.416 4.349 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000536849395 1046820458 /nfs/dbraw/zinc/82/04/58/1046820458.db2.gz BZJNVDCFQFUCBK-TYILLQQXSA-N 1 0 346.402 4.469 20 5 EIBDRO COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000536856268 1046825297 /nfs/dbraw/zinc/82/52/97/1046825297.db2.gz DWQRZZALCGDWIW-AWEZNQCLSA-N 1 0 328.412 4.232 20 5 EIBDRO CCC[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000536877838 1046839982 /nfs/dbraw/zinc/83/99/82/1046839982.db2.gz UPZDPLVPXJLHDY-GOSISDBHSA-N 1 0 327.428 4.444 20 5 EIBDRO CC(C)Oc1cccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000537024622 1046899762 /nfs/dbraw/zinc/89/97/62/1046899762.db2.gz RLQOIYQNRODSQA-HNNXBMFYSA-N 1 0 328.412 4.275 20 5 EIBDRO COc1ccc(C[N@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)cc1F ZINC000787405869 1047006875 /nfs/dbraw/zinc/00/68/75/1047006875.db2.gz FVJKTSKHSCXBPA-ZROIWOOFSA-N 1 0 344.386 4.278 20 5 EIBDRO CSC[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537319182 1047106074 /nfs/dbraw/zinc/10/60/74/1047106074.db2.gz VVYYFFYKIMAMQT-JTQLQIEISA-N 1 0 340.832 4.349 20 5 EIBDRO Cc1csc(C2([NH2+][C@H](C)CCc3ccccc3[N+](=O)[O-])CCC2)n1 ZINC000537430057 1047219206 /nfs/dbraw/zinc/21/92/06/1047219206.db2.gz CVODOKBGECSEMF-CYBMUJFWSA-N 1 0 345.468 4.350 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C(C)C)[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000788622035 1047251425 /nfs/dbraw/zinc/25/14/25/1047251425.db2.gz PCRLCTWOSOFHMX-BEVDRBHNSA-N 1 0 342.439 4.312 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000788619671 1047251537 /nfs/dbraw/zinc/25/15/37/1047251537.db2.gz FGUVCLTZWWVAGE-YSSFQJQWSA-N 1 0 342.439 4.312 20 5 EIBDRO Cc1cc([C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C2CC2)ccc1F ZINC000788685952 1047262443 /nfs/dbraw/zinc/26/24/43/1047262443.db2.gz KZYMFEJMHIAMCA-BLVKFPJESA-N 1 0 343.402 4.426 20 5 EIBDRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788736374 1047296321 /nfs/dbraw/zinc/29/63/21/1047296321.db2.gz USTPVYKDAIMEKR-WTOJCKNJSA-N 1 0 325.412 4.151 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788801717 1047309341 /nfs/dbraw/zinc/30/93/41/1047309341.db2.gz BRPYFTUEPWBMAO-PIGZYNQJSA-N 1 0 329.375 4.044 20 5 EIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000609280605 1047485984 /nfs/dbraw/zinc/48/59/84/1047485984.db2.gz FWYBFWISSGIWEU-INIZCTEOSA-N 1 0 328.387 4.189 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000037487207 1047559342 /nfs/dbraw/zinc/55/93/42/1047559342.db2.gz YTCWQDVAQUBLBF-LLVKDONJSA-N 1 0 335.201 4.208 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H](c3ccncc3)C3CC3)o2)c1 ZINC000898326009 1047618890 /nfs/dbraw/zinc/61/88/90/1047618890.db2.gz TWYVSUUJEPWHEL-FQEVSTJZSA-N 1 0 349.390 4.491 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000556895711 1048121929 /nfs/dbraw/zinc/12/19/29/1048121929.db2.gz YNSDOPXZJKPKGC-CZIWCDLHSA-N 1 0 344.386 4.168 20 5 EIBDRO CC[NH+](CC)[C@H](CNc1cccc(F)c1[N+](=O)[O-])c1ccsc1 ZINC000919963780 1048344003 /nfs/dbraw/zinc/34/40/03/1048344003.db2.gz DRRHKGCCTPRYGL-OAHLLOKOSA-N 1 0 337.420 4.290 20 5 EIBDRO COc1cccc2cc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])oc21 ZINC000809688874 1048478809 /nfs/dbraw/zinc/47/88/09/1048478809.db2.gz QLOFJZXYOTVSOK-UHFFFAOYSA-N 1 0 340.379 4.024 20 5 EIBDRO C[C@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627519 1048552026 /nfs/dbraw/zinc/55/20/26/1048552026.db2.gz CJCJGSWRTOUAMX-NWDGAFQWSA-N 1 0 327.375 4.043 20 5 EIBDRO CCSc1cccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815628728 1048553325 /nfs/dbraw/zinc/55/33/25/1048553325.db2.gz IHIJPEAFDLCZEQ-LBPRGKRZSA-N 1 0 331.441 4.140 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](c1ccccc1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815630654 1048553734 /nfs/dbraw/zinc/55/37/34/1048553734.db2.gz RBLQATMVYOYWME-CXAGYDPISA-N 1 0 325.412 4.021 20 5 EIBDRO C[C@@H]([NH2+][C@H](CC1CC1)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815605952 1048558011 /nfs/dbraw/zinc/55/80/11/1048558011.db2.gz JTADIIYWIITTQO-FZKQIMNGSA-N 1 0 325.412 4.369 20 5 EIBDRO Cc1c(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC001170593411 1048593571 /nfs/dbraw/zinc/59/35/71/1048593571.db2.gz LHPBSAZCFYCEBH-QGZVFWFLSA-N 1 0 346.814 4.210 20 5 EIBDRO Cc1nnc(CC[NH2+]Cc2c3ccccc3cc3ccccc32)s1 ZINC000810159427 1048664547 /nfs/dbraw/zinc/66/45/47/1048664547.db2.gz SYGXMUHJNSZOOG-UHFFFAOYSA-N 1 0 333.460 4.485 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000846030893 1048796650 /nfs/dbraw/zinc/79/66/50/1048796650.db2.gz FHAKLURZNAWRAG-KCXAZCMYSA-N 1 0 328.815 4.210 20 5 EIBDRO COCCC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCC1 ZINC000811483232 1049078968 /nfs/dbraw/zinc/07/89/68/1049078968.db2.gz FDPXZENNNFQHEA-UHFFFAOYSA-N 1 0 347.242 4.198 20 5 EIBDRO CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811485302 1049080212 /nfs/dbraw/zinc/08/02/12/1049080212.db2.gz DGNPTYFNYYQPIH-CQSZACIVSA-N 1 0 349.258 4.034 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCC[C@@H]1CCCCO1 ZINC000811490971 1049087162 /nfs/dbraw/zinc/08/71/62/1049087162.db2.gz WWPFRIFYZKNBEZ-ZDUSSCGKSA-N 1 0 347.242 4.341 20 5 EIBDRO [NH3+]CCc1cc2ccccc2n1-c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001171305111 1049150211 /nfs/dbraw/zinc/15/02/11/1049150211.db2.gz QRTQPHYXRDUKHP-UHFFFAOYSA-N 1 0 349.312 4.059 20 5 EIBDRO Cc1c(C[N@@H+]2CCS[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000609800594 1049327675 /nfs/dbraw/zinc/32/76/75/1049327675.db2.gz PGBBGMSCEXHMAH-SFHVURJKSA-N 1 0 328.437 4.193 20 5 EIBDRO Cc1ccc(C[NH2+]C[C@@H](Nc2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000609826011 1049347266 /nfs/dbraw/zinc/34/72/66/1049347266.db2.gz JHUVEEAQMGVPSL-GOSISDBHSA-N 1 0 327.428 4.130 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@@H](O)c1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000773062183 1049556240 /nfs/dbraw/zinc/55/62/40/1049556240.db2.gz AUQZEMAQZOMISV-RTBURBONSA-N 1 0 328.412 4.068 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)cc1 ZINC000237832571 1049778050 /nfs/dbraw/zinc/77/80/50/1049778050.db2.gz AAZLDQCSPQTPSX-UHFFFAOYSA-N 1 0 329.787 4.062 20 5 EIBDRO COc1ccc2oc(CNCc3cc([N+](=O)[O-])ccc3Cl)cc2c1 ZINC000763487891 1050023971 /nfs/dbraw/zinc/02/39/71/1050023971.db2.gz XTASEJKVSWXHOB-UHFFFAOYSA-N 1 0 346.770 4.293 20 5 EIBDRO Cc1c(C[NH2+]CCOc2cccc3ccccc32)cccc1[N+](=O)[O-] ZINC001177334698 1050195056 /nfs/dbraw/zinc/19/50/56/1050195056.db2.gz XDWYZNHZVVLFOZ-UHFFFAOYSA-N 1 0 336.391 4.225 20 5 EIBDRO [NH3+]CCc1cn([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c2ccccc12 ZINC001172896851 1050200230 /nfs/dbraw/zinc/20/02/30/1050200230.db2.gz SRRVIWHPTJPQEO-GOSISDBHSA-N 1 0 349.434 4.171 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1F ZINC001172898738 1050203344 /nfs/dbraw/zinc/20/33/44/1050203344.db2.gz IVQMMCNUZJICQE-BBRMVZONSA-N 1 0 328.387 4.332 20 5 EIBDRO Cc1ccc(F)c(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1F ZINC001172899248 1050203520 /nfs/dbraw/zinc/20/35/20/1050203520.db2.gz NFBXRVIJDYIPMM-HNNXBMFYSA-N 1 0 346.377 4.219 20 5 EIBDRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900558 1050205170 /nfs/dbraw/zinc/20/51/70/1050205170.db2.gz VSXNOHFNGFHGGN-IFXJQAMLSA-N 1 0 342.414 4.202 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1c(F)cccc1F ZINC001172904292 1050205379 /nfs/dbraw/zinc/20/53/79/1050205379.db2.gz WOXDZSVEBKVHEZ-WFASDCNBSA-N 1 0 346.377 4.471 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)CC2 ZINC001172908102 1050206181 /nfs/dbraw/zinc/20/61/81/1050206181.db2.gz WVRDMJDVVVYJBQ-BBRMVZONSA-N 1 0 338.398 4.257 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)CC2 ZINC001172908104 1050207305 /nfs/dbraw/zinc/20/73/05/1050207305.db2.gz WVRDMJDVVVYJBQ-CJNGLKHVSA-N 1 0 338.398 4.257 20 5 EIBDRO C[N@H+](CCc1ccccc1F)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913704 1050231871 /nfs/dbraw/zinc/23/18/71/1050231871.db2.gz UKEDVAYUXDVAHY-GOSISDBHSA-N 1 0 342.414 4.156 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@@H](c3ccccc3)C1)CC2 ZINC001172909590 1050245384 /nfs/dbraw/zinc/24/53/84/1050245384.db2.gz TYMRMBWNTLAFGW-UXHICEINSA-N 1 0 336.435 4.332 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)c1F ZINC001173176628 1050335841 /nfs/dbraw/zinc/33/58/41/1050335841.db2.gz KZKBEYBDQYWZAP-KGLIPLIRSA-N 1 0 346.402 4.333 20 5 EIBDRO CCc1ccc(C[NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])cc1 ZINC001173176286 1050336127 /nfs/dbraw/zinc/33/61/27/1050336127.db2.gz HIPVQSMVJQVGJS-ZDUSSCGKSA-N 1 0 346.402 4.026 20 5 EIBDRO CCC[N@@H+]([C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])[C@@H](C)CC ZINC001173184198 1050338017 /nfs/dbraw/zinc/33/80/17/1050338017.db2.gz LWMPVTJAJRFYLD-QWHCGFSZSA-N 1 0 326.412 4.184 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1OC ZINC001173217928 1050351245 /nfs/dbraw/zinc/35/12/45/1050351245.db2.gz HUNITURAMGFCDA-KDOFPFPSSA-N 1 0 328.412 4.275 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC001173218666 1050352553 /nfs/dbraw/zinc/35/25/53/1050352553.db2.gz RNUINNXHCPJKJP-KZULUSFZSA-N 1 0 330.815 4.456 20 5 EIBDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220342 1050352645 /nfs/dbraw/zinc/35/26/45/1050352645.db2.gz YMSUNOQPMHGWQJ-KGLIPLIRSA-N 1 0 332.831 4.400 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001173218342 1050352797 /nfs/dbraw/zinc/35/27/97/1050352797.db2.gz AJEMGPZSPHFPPC-APPDUMDISA-N 1 0 332.350 4.081 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC001173219559 1050352806 /nfs/dbraw/zinc/35/28/06/1050352806.db2.gz DDBRNFJIMBNCGR-OAHLLOKOSA-N 1 0 342.439 4.493 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCCCCCCCCO ZINC001173218634 1050352839 /nfs/dbraw/zinc/35/28/39/1050352839.db2.gz LIQVZAYOMXBLJV-QGZVFWFLSA-N 1 0 336.476 4.229 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC001173219908 1050353772 /nfs/dbraw/zinc/35/37/72/1050353772.db2.gz QWPYIIWHIRMYCQ-OLZOCXBDSA-N 1 0 332.375 4.024 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1cncc(Cl)c1)C1CC1 ZINC001173223462 1050354610 /nfs/dbraw/zinc/35/46/10/1050354610.db2.gz IREIIORAQUNKRJ-SGTLLEGYSA-N 1 0 345.830 4.315 20 5 EIBDRO Cc1ccccc1CC(C)(C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173224107 1050354888 /nfs/dbraw/zinc/35/48/88/1050354888.db2.gz LZJZDVULMXQOFA-INIZCTEOSA-N 1 0 326.440 4.445 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2cccc(F)c2)CCC1 ZINC001173221815 1050355746 /nfs/dbraw/zinc/35/57/46/1050355746.db2.gz QAYIVVVPACBFJD-AWEZNQCLSA-N 1 0 328.387 4.334 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001173227222 1050356466 /nfs/dbraw/zinc/35/64/66/1050356466.db2.gz ONRWLOUFZFGPOI-HOCLYGCPSA-N 1 0 328.387 4.154 20 5 EIBDRO COc1ccccc1[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001173228755 1050356977 /nfs/dbraw/zinc/35/69/77/1050356977.db2.gz KHFCYBCUUWOBQB-XOBRGWDASA-N 1 0 340.423 4.275 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(CC2CCC2)CCOCC1 ZINC001173228304 1050357757 /nfs/dbraw/zinc/35/77/57/1050357757.db2.gz IVNKQTZCZRPRMX-MRXNPFEDSA-N 1 0 346.471 4.102 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2c1cccc2Cl ZINC001173232062 1050358979 /nfs/dbraw/zinc/35/89/79/1050358979.db2.gz CNXPDEJSNINGEW-XIKOKIGWSA-N 1 0 330.815 4.456 20 5 EIBDRO COc1cccc([C@H]2CC[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001173231934 1050359258 /nfs/dbraw/zinc/35/92/58/1050359258.db2.gz OZKWTDOOHDYGQX-YJBOKZPZSA-N 1 0 340.423 4.024 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001173231746 1050359590 /nfs/dbraw/zinc/35/95/90/1050359590.db2.gz CWUNUTPISLMGRX-PBHICJAKSA-N 1 0 328.387 4.154 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001173232841 1050360103 /nfs/dbraw/zinc/36/01/03/1050360103.db2.gz GFKGYXWXROFCQO-QKYXUNIQSA-N 1 0 340.423 4.036 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001173231775 1050360634 /nfs/dbraw/zinc/36/06/34/1050360634.db2.gz CZQSFLRGAXKIFT-WMLDXEAASA-N 1 0 328.387 4.154 20 5 EIBDRO COc1cccc(CCC[N@H+](C)[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173235350 1050361534 /nfs/dbraw/zinc/36/15/34/1050361534.db2.gz WHYOOWGKGZYODU-INIZCTEOSA-N 1 0 342.439 4.099 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC001173234233 1050361588 /nfs/dbraw/zinc/36/15/88/1050361588.db2.gz QGPTUCLOBZDTOO-ZDUSSCGKSA-N 1 0 330.815 4.238 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(-c2ccccn2)cc1 ZINC001173234483 1050362649 /nfs/dbraw/zinc/36/26/49/1050362649.db2.gz PAKXOIVZHVJKIH-MRXNPFEDSA-N 1 0 347.418 4.378 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(F)c(F)cc1Cl ZINC001173214378 1050374256 /nfs/dbraw/zinc/37/42/56/1050374256.db2.gz BFDYQEPWXAQLPO-SNVBAGLBSA-N 1 0 340.757 4.247 20 5 EIBDRO COc1ccc([C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C(C)C)cc1 ZINC000182050720 1050436419 /nfs/dbraw/zinc/43/64/19/1050436419.db2.gz VCJLUOJOPGUZFA-GOSISDBHSA-N 1 0 332.375 4.229 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC001178595679 1050505198 /nfs/dbraw/zinc/50/51/98/1050505198.db2.gz RDCHNRGJNCDQHC-SHTZXODSSA-N 1 0 328.387 4.387 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC3(C)C)o2)c([N+](=O)[O-])c1 ZINC001178694855 1050534516 /nfs/dbraw/zinc/53/45/16/1050534516.db2.gz TXLRKDNXMLYPNC-QGZVFWFLSA-N 1 0 330.384 4.142 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2cc3ccccc3[nH]2)cc(C(F)(F)F)c1 ZINC000618967210 1050603859 /nfs/dbraw/zinc/60/38/59/1050603859.db2.gz ONNAQADEVPZZHH-UHFFFAOYSA-N 1 0 349.312 4.385 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@H]2CCOC3(CCCC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000618986684 1050612043 /nfs/dbraw/zinc/61/20/43/1050612043.db2.gz LZXOUUCDMDIIPQ-KSSFIOAISA-N 1 0 344.455 4.399 20 5 EIBDRO CC(C)CC1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC001179217132 1050652255 /nfs/dbraw/zinc/65/22/55/1050652255.db2.gz WCXSJPUHWMLPMY-UHFFFAOYSA-N 1 0 331.441 4.387 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCOC1 ZINC001179433012 1050691876 /nfs/dbraw/zinc/69/18/76/1050691876.db2.gz LJXLAFWBOWWDAW-QAPCUYQASA-N 1 0 344.411 4.150 20 5 EIBDRO COc1ccc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC001179686545 1050747097 /nfs/dbraw/zinc/74/70/97/1050747097.db2.gz ZEFZQNYOOIAJFT-GFCCVEGCSA-N 1 0 334.803 4.150 20 5 EIBDRO C[C@H]([N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1)C1(C)CC1 ZINC001179973671 1050838934 /nfs/dbraw/zinc/83/89/34/1050838934.db2.gz FCQWUWZNPYSIJB-QMMMGPOBSA-N 1 0 333.251 4.039 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001179958152 1050846404 /nfs/dbraw/zinc/84/64/04/1050846404.db2.gz VYOJXMDNLHBOPL-QGZVFWFLSA-N 1 0 342.414 4.415 20 5 EIBDRO COc1cc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)ccc1O ZINC001174544989 1051076963 /nfs/dbraw/zinc/07/69/63/1051076963.db2.gz ZWDKQGOOZPNZPK-UHFFFAOYSA-N 1 0 331.375 4.428 20 5 EIBDRO CC[NH+](CC)Cc1ccc(NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001180926178 1051108547 /nfs/dbraw/zinc/10/85/47/1051108547.db2.gz DUAOGJMROSRFJC-UHFFFAOYSA-N 1 0 327.428 4.091 20 5 EIBDRO COCCC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCCCC1 ZINC000775375424 1051156440 /nfs/dbraw/zinc/15/64/40/1051156440.db2.gz UHCIWYQVTSGVMO-UHFFFAOYSA-N 1 0 340.851 4.325 20 5 EIBDRO C[N@H+](CCCOc1ccc(Cl)cc1)CCc1ccc([N+](=O)[O-])cc1 ZINC001190426366 1051181124 /nfs/dbraw/zinc/18/11/24/1051181124.db2.gz FBMRDZHADKMNPS-UHFFFAOYSA-N 1 0 348.830 4.192 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001181418922 1051220296 /nfs/dbraw/zinc/22/02/96/1051220296.db2.gz RKLIXAJYGIDWEW-KGYLQXTDSA-N 1 0 328.334 4.139 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC001181688122 1051268531 /nfs/dbraw/zinc/26/85/31/1051268531.db2.gz PHCBJNQBVDICGH-UHFFFAOYSA-N 1 0 330.350 4.376 20 5 EIBDRO CCOc1cc(C[NH2+]C(C)(C)CCc2ccccc2)ccc1[N+](=O)[O-] ZINC001190840341 1051290551 /nfs/dbraw/zinc/29/05/51/1051290551.db2.gz ZVVUUPUVAXEUAC-UHFFFAOYSA-N 1 0 342.439 4.495 20 5 EIBDRO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000183707224 1051309626 /nfs/dbraw/zinc/30/96/26/1051309626.db2.gz LEAVNZGCAPBSIH-AWEZNQCLSA-N 1 0 337.379 4.443 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC001182181853 1051413350 /nfs/dbraw/zinc/41/33/50/1051413350.db2.gz BFDWVKHJQKUNQS-GFCCVEGCSA-N 1 0 328.334 4.236 20 5 EIBDRO COc1ccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC001191475994 1051462766 /nfs/dbraw/zinc/46/27/66/1051462766.db2.gz QQDOYBCCPOXBEH-YJBOKZPZSA-N 1 0 340.423 4.057 20 5 EIBDRO Cc1ccccc1[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000775462783 1051471906 /nfs/dbraw/zinc/47/19/06/1051471906.db2.gz FJPZRSLPQYWPPB-RBUKOAKNSA-N 1 0 342.439 4.314 20 5 EIBDRO Cc1ccccc1[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000775462781 1051472531 /nfs/dbraw/zinc/47/25/31/1051472531.db2.gz FJPZRSLPQYWPPB-MOPGFXCFSA-N 1 0 342.439 4.314 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](c2ccccc2)C2CCCC2)cc1 ZINC000774407576 1051583492 /nfs/dbraw/zinc/58/34/92/1051583492.db2.gz BBFOFQVNPYNBLG-WOJBJXKFSA-N 1 0 340.423 4.149 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc2ccccc2c1 ZINC000072074851 1051652306 /nfs/dbraw/zinc/65/23/06/1051652306.db2.gz BYQJVPUYCWZIGJ-UHFFFAOYSA-N 1 0 336.391 4.437 20 5 EIBDRO COCCC(C)(C)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000183943584 1051674512 /nfs/dbraw/zinc/67/45/12/1051674512.db2.gz JCZUSNSWJCXNCZ-IBGZPJMESA-N 1 0 342.439 4.337 20 5 EIBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1F ZINC001192575181 1051767822 /nfs/dbraw/zinc/76/78/22/1051767822.db2.gz QMWSTBDEGPIOMY-LLVKDONJSA-N 1 0 338.766 4.117 20 5 EIBDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001192756966 1051810426 /nfs/dbraw/zinc/81/04/26/1051810426.db2.gz KALOZNBVFODGDO-HNNXBMFYSA-N 1 0 344.411 4.112 20 5 EIBDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001192757158 1051810952 /nfs/dbraw/zinc/81/09/52/1051810952.db2.gz MODHXQDXQZSTKS-OAHLLOKOSA-N 1 0 344.411 4.112 20 5 EIBDRO CC(C)Oc1cccc([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)c1 ZINC001192759254 1051811094 /nfs/dbraw/zinc/81/10/94/1051811094.db2.gz WCEVVTFEEUERQQ-OAHLLOKOSA-N 1 0 344.411 4.112 20 5 EIBDRO C[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CC[S@@](=O)C1 ZINC000763651431 1051813160 /nfs/dbraw/zinc/81/31/60/1051813160.db2.gz ICGHBXJWXPOZNN-UPCLLVRISA-N 1 0 337.488 4.193 20 5 EIBDRO CC1(C)CCC[C@@](O)(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001183301503 1051823832 /nfs/dbraw/zinc/82/38/32/1051823832.db2.gz WVKBLLZUHIWNMZ-KRWDZBQOSA-N 1 0 340.851 4.059 20 5 EIBDRO COCC(C)(C)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001183671362 1051882117 /nfs/dbraw/zinc/88/21/17/1051882117.db2.gz HGQLZAIQTYAEQI-UHFFFAOYSA-N 1 0 335.231 4.054 20 5 EIBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000184483525 1052008909 /nfs/dbraw/zinc/00/89/09/1052008909.db2.gz KRYVAPSUIRNQIL-GFCCVEGCSA-N 1 0 349.456 4.078 20 5 EIBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1OC ZINC001176304566 1052009261 /nfs/dbraw/zinc/00/92/61/1052009261.db2.gz FWRBVBOEJSBELX-KRWDZBQOSA-N 1 0 332.375 4.026 20 5 EIBDRO C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001176356845 1052035055 /nfs/dbraw/zinc/03/50/55/1052035055.db2.gz VZAVBHJNEUGKGI-OXJNMPFZSA-N 1 0 340.423 4.242 20 5 EIBDRO CCCCO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001194194371 1052101971 /nfs/dbraw/zinc/10/19/71/1052101971.db2.gz ZQGYFMPEOIXDPX-CVEARBPZSA-N 1 0 340.851 4.322 20 5 EIBDRO CC[NH+](CC)Cc1cccc(CNc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC001184893577 1052118955 /nfs/dbraw/zinc/11/89/55/1052118955.db2.gz UHXMEGBJMFHMKD-UHFFFAOYSA-N 1 0 349.381 4.327 20 5 EIBDRO CC(C)Cc1ccccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001194263420 1052121096 /nfs/dbraw/zinc/12/10/96/1052121096.db2.gz ZYOLSXJLIANJIS-UHFFFAOYSA-N 1 0 326.440 4.468 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001194598737 1052174244 /nfs/dbraw/zinc/17/42/44/1052174244.db2.gz DXFKXCZSWVHMBJ-GFCCVEGCSA-N 1 0 334.778 4.377 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC001194598690 1052175146 /nfs/dbraw/zinc/17/51/46/1052175146.db2.gz DEGVWBOEIVEMOF-GFCCVEGCSA-N 1 0 334.778 4.377 20 5 EIBDRO CCC[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC001176892019 1052201151 /nfs/dbraw/zinc/20/11/51/1052201151.db2.gz PJTJKXVUQRLLTP-LJQANCHMSA-N 1 0 328.412 4.409 20 5 EIBDRO Cc1ccc(NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC001185582066 1052271835 /nfs/dbraw/zinc/27/18/35/1052271835.db2.gz BBCZGTHGZGTSSE-KRWDZBQOSA-N 1 0 333.819 4.271 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000090918587 1052783235 /nfs/dbraw/zinc/78/32/35/1052783235.db2.gz WUTQBLLHGPGVDG-GUYCJALGSA-N 1 0 342.395 4.168 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21 ZINC000112515491 1053027027 /nfs/dbraw/zinc/02/70/27/1053027027.db2.gz XTGTYKQJJCUGMA-JLTOFOAXSA-N 1 0 336.391 4.132 20 5 EIBDRO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000764285656 1053052204 /nfs/dbraw/zinc/05/22/04/1053052204.db2.gz YJKOQLKNTFYXJV-HNAYVOBHSA-N 1 0 328.412 4.020 20 5 EIBDRO CO[C@H](C[NH2+]Cc1c2ccccc2cc2ccccc21)[C@@H]1CCOC1 ZINC000850344544 1053125625 /nfs/dbraw/zinc/12/56/25/1053125625.db2.gz MDQJMMJQZKTBNH-XMSQKQJNSA-N 1 0 335.447 4.134 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC001194905783 1053156315 /nfs/dbraw/zinc/15/63/15/1053156315.db2.gz LMFZVMJKNUAVPP-AUUYWEPGSA-N 1 0 348.443 4.018 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000850457595 1053233741 /nfs/dbraw/zinc/23/37/41/1053233741.db2.gz KNWHEGSELZDGDW-HZMBPMFUSA-N 1 0 347.440 4.097 20 5 EIBDRO C[C@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000120150972 1053326070 /nfs/dbraw/zinc/32/60/70/1053326070.db2.gz OXWMQCTUNUZJIA-LRDDRELGSA-N 1 0 342.420 4.194 20 5 EIBDRO COc1cc(C[N@H+](C)[C@@H]2CCC[C@H]2C(C)(C)C)c([N+](=O)[O-])cc1F ZINC001195279896 1053358656 /nfs/dbraw/zinc/35/86/56/1053358656.db2.gz PNCQHIXZSQNDTQ-UKRRQHHQSA-N 1 0 338.423 4.389 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000794830243 1053442125 /nfs/dbraw/zinc/44/21/25/1053442125.db2.gz ITHFYGUNTKALRE-QSFXBCCZSA-N 1 0 342.439 4.456 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000120506504 1053478268 /nfs/dbraw/zinc/47/82/68/1053478268.db2.gz MEGKYLSTWWMZJU-LBPRGKRZSA-N 1 0 336.338 4.355 20 5 EIBDRO CC(C)[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865454589 1053512594 /nfs/dbraw/zinc/51/25/94/1053512594.db2.gz DADBBZDOGADFEP-UHFFFAOYSA-N 1 0 341.402 4.089 20 5 EIBDRO Cc1ccc([C@@H]2CCCC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776585318 1053560417 /nfs/dbraw/zinc/56/04/17/1053560417.db2.gz VFXFPIHOYBUHLF-VQTJNVASSA-N 1 0 340.423 4.164 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)C[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000120655795 1053561609 /nfs/dbraw/zinc/56/16/09/1053561609.db2.gz YBMUAMRDMJXHFZ-CCKFTAQKSA-N 1 0 328.412 4.148 20 5 EIBDRO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000776589565 1053575473 /nfs/dbraw/zinc/57/54/73/1053575473.db2.gz TVGRDIUJXZRUHC-DOPJRALCSA-N 1 0 344.411 4.003 20 5 EIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](C3CCCCC3)C2)c1 ZINC001196410138 1053665873 /nfs/dbraw/zinc/66/58/73/1053665873.db2.gz NKSGZBYLMFPRBV-KRWDZBQOSA-N 1 0 332.444 4.266 20 5 EIBDRO CCc1nc([C@H](C)[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cs1 ZINC000866264437 1053668556 /nfs/dbraw/zinc/66/85/56/1053668556.db2.gz OGGYDUATRNIMJQ-QWRGUYRKSA-N 1 0 337.420 4.035 20 5 EIBDRO Cc1csc(C2([NH2+][C@H](C)Cc3ccc(F)cc3[N+](=O)[O-])CCC2)n1 ZINC000866319801 1053689778 /nfs/dbraw/zinc/68/97/78/1053689778.db2.gz KOKOALWMMPRLBO-LLVKDONJSA-N 1 0 349.431 4.099 20 5 EIBDRO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000131354570 1053766071 /nfs/dbraw/zinc/76/60/71/1053766071.db2.gz VHBNMQGSEMXACB-CQSZACIVSA-N 1 0 344.411 4.080 20 5 EIBDRO COc1cc([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)ccc1SC ZINC000866538498 1053774688 /nfs/dbraw/zinc/77/46/88/1053774688.db2.gz APSZGLGGBGJCAO-ZDUSSCGKSA-N 1 0 346.452 4.485 20 5 EIBDRO CC(C)c1cc([C@H]2CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC001197542352 1053932374 /nfs/dbraw/zinc/93/23/74/1053932374.db2.gz KQKADVBJKJEQIZ-CABCVRRESA-N 1 0 342.443 4.382 20 5 EIBDRO CC(C)(C)OC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001197639730 1053969408 /nfs/dbraw/zinc/96/94/08/1053969408.db2.gz TUEVHPIQZAKLRF-ZDUSSCGKSA-N 1 0 326.824 4.028 20 5 EIBDRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000173322183 1054022494 /nfs/dbraw/zinc/02/24/94/1054022494.db2.gz ZYIOWKYYVSYCKD-UONOGXRCSA-N 1 0 344.411 4.332 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(CNc2cc[nH+]c3c(O)cccc23)c1 ZINC000795109840 1054077181 /nfs/dbraw/zinc/07/71/81/1054077181.db2.gz BBMGVSKUKMIRTC-UHFFFAOYSA-N 1 0 329.743 4.114 20 5 EIBDRO COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC001198289433 1054116467 /nfs/dbraw/zinc/11/64/67/1054116467.db2.gz OKDKGINNPJQYAI-KRWDZBQOSA-N 1 0 340.423 4.372 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)CCC2 ZINC000857080809 1054174636 /nfs/dbraw/zinc/17/46/36/1054174636.db2.gz AOPCMHYBPCLJAX-SMDDNHRTSA-N 1 0 329.227 4.146 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)CCC2 ZINC000857080805 1054175656 /nfs/dbraw/zinc/17/56/56/1054175656.db2.gz AOPCMHYBPCLJAX-FZMZJTMJSA-N 1 0 329.227 4.146 20 5 EIBDRO CC[C@H](C[N@H+](CC)C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000775895887 1054278318 /nfs/dbraw/zinc/27/83/18/1054278318.db2.gz OYWFMUPHHUHFPD-UZLBHIALSA-N 1 0 342.439 4.144 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000871936857 1054324756 /nfs/dbraw/zinc/32/47/56/1054324756.db2.gz ONPVHWCTCVTZAL-MNOVXSKESA-N 1 0 339.317 4.420 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000872033494 1054350363 /nfs/dbraw/zinc/35/03/63/1054350363.db2.gz IDELSOLRKKTLGR-BZNIZROVSA-N 1 0 344.436 4.360 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)Cc1c(C)noc1C ZINC000872039321 1054353804 /nfs/dbraw/zinc/35/38/04/1054353804.db2.gz SKJAADGVIXMYRC-MNOVXSKESA-N 1 0 349.456 4.203 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(C(F)(F)F)CC1 ZINC000872071306 1054376179 /nfs/dbraw/zinc/37/61/79/1054376179.db2.gz NEFFWCDBPVHIPQ-VIFPVBQESA-N 1 0 334.363 4.310 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cc(C)nc(C)c1 ZINC000872080053 1054380558 /nfs/dbraw/zinc/38/05/58/1054380558.db2.gz NDYHOABTODUBQX-CYBMUJFWSA-N 1 0 331.441 4.179 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](c1ccccc1)[C@@H](C)O ZINC000872088257 1054384427 /nfs/dbraw/zinc/38/44/27/1054384427.db2.gz NBWGHMAPJPTBIZ-VEVIJQCQSA-N 1 0 346.452 4.089 20 5 EIBDRO C[C@H]([NH2+]CCSCCC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872090449 1054384610 /nfs/dbraw/zinc/38/46/10/1054384610.db2.gz BPWXVHCLPWSXJW-VIFPVBQESA-N 1 0 340.342 4.070 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC1SCCS1 ZINC000872087436 1054385426 /nfs/dbraw/zinc/38/54/26/1054385426.db2.gz DRRLPHYNYFKBKP-JTQLQIEISA-N 1 0 344.527 4.164 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000872094092 1054387925 /nfs/dbraw/zinc/38/79/25/1054387925.db2.gz YVMCYGRMQIWOOA-UWVGGRQHSA-N 1 0 337.470 4.493 20 5 EIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)ccc1Cl ZINC000872260620 1054428237 /nfs/dbraw/zinc/42/82/37/1054428237.db2.gz QDLZWAFNMLUZGD-OAHLLOKOSA-N 1 0 338.835 4.172 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3c2cccc3Br)cc1 ZINC000105491904 1054528938 /nfs/dbraw/zinc/52/89/38/1054528938.db2.gz IBWPQCLYZFQRHT-MRXNPFEDSA-N 1 0 347.212 4.134 20 5 EIBDRO CC(C)(C)C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776155217 1054741859 /nfs/dbraw/zinc/74/18/59/1054741859.db2.gz DMIYOFPTJNQSCE-RTBURBONSA-N 1 0 342.439 4.395 20 5 EIBDRO CCOc1cc(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)ccc1OC ZINC001201481320 1054832756 /nfs/dbraw/zinc/83/27/56/1054832756.db2.gz PNFLMOKKFNJKNY-QGZVFWFLSA-N 1 0 344.411 4.243 20 5 EIBDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC001201618884 1054866434 /nfs/dbraw/zinc/86/64/34/1054866434.db2.gz YHBKPTLAPBGKPC-MSOLQXFVSA-N 1 0 334.460 4.402 20 5 EIBDRO Cc1csc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)n1 ZINC000877813658 1055125174 /nfs/dbraw/zinc/12/51/74/1055125174.db2.gz IVOYHTBMEVCSQB-LBPRGKRZSA-N 1 0 337.832 4.003 20 5 EIBDRO CCc1ccc([C@H](O)C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC001202356892 1055148993 /nfs/dbraw/zinc/14/89/93/1055148993.db2.gz MNJCPLNXNQXHER-HXUWFJFHSA-N 1 0 342.439 4.104 20 5 EIBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878199478 1055204394 /nfs/dbraw/zinc/20/43/94/1055204394.db2.gz AZFIDPDXQGZACE-ZFWWWQNUSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765847978 1055875149 /nfs/dbraw/zinc/87/51/49/1055875149.db2.gz DFUGFTMDLJNWEI-UXHICEINSA-N 1 0 342.439 4.314 20 5 EIBDRO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987464 1060583425 /nfs/dbraw/zinc/58/34/25/1060583425.db2.gz IVYJWITXOOZINL-GLQYFDAESA-N 1 0 345.270 4.350 20 5 EIBDRO C[N@H+](Cc1ccccc1Oc1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035196 1060588872 /nfs/dbraw/zinc/58/88/72/1060588872.db2.gz BJRPIAYNGIEQEL-WMZOPIPTSA-N 1 0 340.423 4.356 20 5 EIBDRO C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047471 1060601940 /nfs/dbraw/zinc/60/19/40/1060601940.db2.gz RFGBGFIEVOMLJA-HKHXBQBMSA-N 1 0 348.446 4.308 20 5 EIBDRO Cc1ccc([C@H]2CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001169198449 1060683124 /nfs/dbraw/zinc/68/31/24/1060683124.db2.gz XSWIHUORGAHDMZ-SFHVURJKSA-N 1 0 340.423 4.162 20 5 EIBDRO CC(C)[C@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001169381762 1060795407 /nfs/dbraw/zinc/79/54/07/1060795407.db2.gz CDUSRIGXALVHIA-LBPRGKRZSA-N 1 0 341.249 4.225 20 5 EIBDRO O=[N+]([O-])c1cc(Br)ccc1C[N@H+](CC1CC1)C1CCC1 ZINC001169734129 1060936299 /nfs/dbraw/zinc/93/62/99/1060936299.db2.gz RKYAWKQENNWNFC-UHFFFAOYSA-N 1 0 339.233 4.122 20 5 EIBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000071954810 203153967 /nfs/dbraw/zinc/15/39/67/203153967.db2.gz UCPSXNODCWPJAF-INIZCTEOSA-N 1 0 339.439 4.439 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000532227355 1032105517 /nfs/dbraw/zinc/10/55/17/1032105517.db2.gz JBOJINDBQYDIQD-CABCVRRESA-N 1 0 326.396 4.120 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)Oc1ccccc1F ZINC000532238564 1032119343 /nfs/dbraw/zinc/11/93/43/1032119343.db2.gz IMKXBUJQJAVCOC-ZIAGYGMSSA-N 1 0 332.375 4.160 20 5 EIBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001307494063 1032223121 /nfs/dbraw/zinc/22/31/21/1032223121.db2.gz CUGFEVHLMVLCHA-TZMCWYRMSA-N 1 0 328.865 4.354 20 5 EIBDRO CC(=O)c1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000450282831 1032399247 /nfs/dbraw/zinc/39/92/47/1032399247.db2.gz IHJRDEDTTMATFB-UHFFFAOYSA-N 1 0 326.396 4.208 20 5 EIBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1cccc(O)c1 ZINC000533255550 1032568552 /nfs/dbraw/zinc/56/85/52/1032568552.db2.gz RPLFQMKOJCZSOI-UHFFFAOYSA-N 1 0 338.363 4.192 20 5 EIBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2cc3ccccc3c3cccnc23)n1 ZINC000339366629 1018820723 /nfs/dbraw/zinc/82/07/23/1018820723.db2.gz LMESBMVMQNKZRW-QGZVFWFLSA-N 1 0 332.407 4.484 20 5 EIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(F)c1F ZINC000577612854 1018864052 /nfs/dbraw/zinc/86/40/52/1018864052.db2.gz UORSQFTYGGLGAA-LLVKDONJSA-N 1 0 345.349 4.248 20 5 EIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H](C)c1cccc(OC)c1 ZINC000430202418 1019262066 /nfs/dbraw/zinc/26/20/66/1019262066.db2.gz COZUQOWUCCLBOZ-CQSZACIVSA-N 1 0 344.411 4.195 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1c1ccc(C)s1 ZINC000430206282 1019309162 /nfs/dbraw/zinc/30/91/62/1019309162.db2.gz KMAKXGGQDBRQDZ-OAHLLOKOSA-N 1 0 332.425 4.310 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2ccsc2)CC1 ZINC000430208452 1019349278 /nfs/dbraw/zinc/34/92/78/1019349278.db2.gz BKADZENGTZDSFY-UHFFFAOYSA-N 1 0 332.425 4.045 20 5 EIBDRO C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000610216207 1019397605 /nfs/dbraw/zinc/39/76/05/1019397605.db2.gz ZRXWBPYKOMLOTE-GOEBONIOSA-N 1 0 328.387 4.360 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000430222808 1019476305 /nfs/dbraw/zinc/47/63/05/1019476305.db2.gz TVZOJNZUNOVZJY-SFHVURJKSA-N 1 0 346.814 4.498 20 5 EIBDRO CCC[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000164990769 1019840675 /nfs/dbraw/zinc/84/06/75/1019840675.db2.gz OSAAMJWAFYLKOJ-SFHVURJKSA-N 1 0 341.411 4.054 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2Cc3ccccc32)o1 ZINC000609222599 1019877367 /nfs/dbraw/zinc/87/73/67/1019877367.db2.gz SVUZIOGDUHEHKQ-HNNXBMFYSA-N 1 0 334.375 4.284 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CC[C@@H](F)C3)o2)c(Cl)c1 ZINC000579883875 1020163603 /nfs/dbraw/zinc/16/36/03/1020163603.db2.gz BOEINQSLVOEACF-MNOVXSKESA-N 1 0 338.766 4.488 20 5 EIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H](C)c1ccc(F)cc1 ZINC001167132124 1020308388 /nfs/dbraw/zinc/30/83/88/1020308388.db2.gz XNAGHOYQGBCAOE-CYBMUJFWSA-N 1 0 332.375 4.326 20 5 EIBDRO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000610271466 1020834249 /nfs/dbraw/zinc/83/42/49/1020834249.db2.gz LHTMNYLLZKJMAO-ZDUSSCGKSA-N 1 0 332.400 4.148 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCC[C@@H]3c3ccccc3)nc2c1 ZINC000133916041 1020860083 /nfs/dbraw/zinc/86/00/83/1020860083.db2.gz DEEJAKNQVAPORB-CVEARBPZSA-N 1 0 337.379 4.162 20 5 EIBDRO CC(C)OCc1ccccc1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892506220 1021187018 /nfs/dbraw/zinc/18/70/18/1021187018.db2.gz YGGNMTWYYJEDSB-UHFFFAOYSA-N 1 0 348.830 4.463 20 5 EIBDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000610345650 1021350339 /nfs/dbraw/zinc/35/03/39/1021350339.db2.gz UHHQSJPVAVEXHI-ZFWWWQNUSA-N 1 0 348.468 4.210 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C[C@H](O)c1cccs1 ZINC000121159152 1021552570 /nfs/dbraw/zinc/55/25/70/1021552570.db2.gz AUGUWRLNIUROCV-WWGRRREGSA-N 1 0 334.441 4.128 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000581230419 1021838344 /nfs/dbraw/zinc/83/83/44/1021838344.db2.gz DUKCIEYNNVEWNI-WEKMIXOTSA-N 1 0 328.334 4.272 20 5 EIBDRO CCC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000581392289 1021849146 /nfs/dbraw/zinc/84/91/46/1021849146.db2.gz QEZHNNBFVTUVGP-OAHLLOKOSA-N 1 0 326.824 4.029 20 5 EIBDRO COc1c(O)ccc(C[NH2+][C@@H](c2ccccc2)C(C)(C)C)c1[N+](=O)[O-] ZINC000892562142 1022181699 /nfs/dbraw/zinc/18/16/99/1022181699.db2.gz XROGBIQGVDBQBN-SFHVURJKSA-N 1 0 344.411 4.186 20 5 EIBDRO CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000414236005 1022249781 /nfs/dbraw/zinc/24/97/81/1022249781.db2.gz VCWKFGLBVNRFBA-LJQANCHMSA-N 1 0 339.439 4.455 20 5 EIBDRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000120439109 1033039521 /nfs/dbraw/zinc/03/95/21/1033039521.db2.gz XLWGWCWREQPKGA-QGZVFWFLSA-N 1 0 341.411 4.116 20 5 EIBDRO C[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1cccc([N+](=O)[O-])c1 ZINC000471604326 1022337792 /nfs/dbraw/zinc/33/77/92/1022337792.db2.gz XIPCESIZUIZFJV-ZDUSSCGKSA-N 1 0 341.386 4.119 20 5 EIBDRO CC(C)COc1ccccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000481053922 1022407077 /nfs/dbraw/zinc/40/70/77/1022407077.db2.gz QNZSXYUWHBNLPI-OAHLLOKOSA-N 1 0 328.412 4.480 20 5 EIBDRO C[C@@H]1CCC[C@@H]([N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000170909074 1022418285 /nfs/dbraw/zinc/41/82/85/1022418285.db2.gz XVUNWWJJTOHDPM-GDBMZVCRSA-N 1 0 343.427 4.303 20 5 EIBDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000110243908 1022459797 /nfs/dbraw/zinc/45/97/97/1022459797.db2.gz PNGKHJYTNXNCFT-DLBZAZTESA-N 1 0 348.443 4.156 20 5 EIBDRO COCC1CCC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000414319723 1022530836 /nfs/dbraw/zinc/53/08/36/1022530836.db2.gz ZUQZJTSXDLNPHM-JRSKDTKFSA-N 1 0 332.444 4.112 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414343350 1022653836 /nfs/dbraw/zinc/65/38/36/1022653836.db2.gz JQUDXWXUWUPGSS-MWQQHZPXSA-N 1 0 326.396 4.045 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414343358 1022655701 /nfs/dbraw/zinc/65/57/01/1022655701.db2.gz JQUDXWXUWUPGSS-RKTXRCNFSA-N 1 0 326.396 4.045 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000090657022 1022708033 /nfs/dbraw/zinc/70/80/33/1022708033.db2.gz QFJVTNRZRMYHLS-DNVCBOLYSA-N 1 0 342.439 4.048 20 5 EIBDRO CCOc1cccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000180686480 1022786819 /nfs/dbraw/zinc/78/68/19/1022786819.db2.gz AETJISCPVDWCJP-GFCCVEGCSA-N 1 0 334.803 4.498 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000581161359 1022860571 /nfs/dbraw/zinc/86/05/71/1022860571.db2.gz WGNAEIKAHJNXKB-HNNXBMFYSA-N 1 0 338.329 4.106 20 5 EIBDRO COCc1ccc([C@H]2CCC[N@@H+]2C/C=C\c2ccccc2[N+](=O)[O-])o1 ZINC000468693229 1023107591 /nfs/dbraw/zinc/10/75/91/1023107591.db2.gz IGMCNRLXJWSASR-NCRRVARUSA-N 1 0 342.395 4.185 20 5 EIBDRO COCC[C@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414477652 1023184074 /nfs/dbraw/zinc/18/40/74/1023184074.db2.gz DIRQQDADEIBKHU-ZDUSSCGKSA-N 1 0 334.441 4.086 20 5 EIBDRO CCc1nc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cs1 ZINC000417314330 1023259910 /nfs/dbraw/zinc/25/99/10/1023259910.db2.gz QWTHYMMUIBXKNX-MRXNPFEDSA-N 1 0 331.441 4.171 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000566476347 1023304199 /nfs/dbraw/zinc/30/41/99/1023304199.db2.gz WRLANAQXYQVGFL-DLBZAZTESA-N 1 0 342.370 4.225 20 5 EIBDRO CCCCCn1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000566519226 1023445029 /nfs/dbraw/zinc/44/50/29/1023445029.db2.gz HUJUKBKZUKXVJM-CQSZACIVSA-N 1 0 330.432 4.141 20 5 EIBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132339 1023469242 /nfs/dbraw/zinc/46/92/42/1023469242.db2.gz AIUASQZZGBFPHP-AZUAARDMSA-N 1 0 340.423 4.195 20 5 EIBDRO CSc1ccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000500230688 1023608687 /nfs/dbraw/zinc/60/86/87/1023608687.db2.gz LDSQVYHFIISBFM-ZDUSSCGKSA-N 1 0 332.425 4.046 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000178121229 1023655719 /nfs/dbraw/zinc/65/57/19/1023655719.db2.gz NDHRDXPZZLIWPY-YSSFQJQWSA-N 1 0 340.423 4.474 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000127306159 1023731799 /nfs/dbraw/zinc/73/17/99/1023731799.db2.gz RFDJDSWUMQHHSP-OLZOCXBDSA-N 1 0 328.368 4.044 20 5 EIBDRO CC(C)([NH2+]Cc1cnc(-c2ccccc2)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000176002144 1023907236 /nfs/dbraw/zinc/90/72/36/1023907236.db2.gz ZKTFFDMZEIESEU-UHFFFAOYSA-N 1 0 336.395 4.010 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)[C@@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000181723162 1024023235 /nfs/dbraw/zinc/02/32/35/1024023235.db2.gz NMGFWYOBLZKKLQ-JEBQAFNWSA-N 1 0 326.396 4.200 20 5 EIBDRO c1ccc2c(c1)cc1ccccc1c2C[NH2+]CCCO[C@@H]1CCOC1 ZINC000236719230 1024035550 /nfs/dbraw/zinc/03/55/50/1024035550.db2.gz PAAMNOFIPCZQRC-LJQANCHMSA-N 1 0 335.447 4.278 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(C[N@H+](CC3CCCCC3)C3CC3)nc2c1 ZINC000610581267 1024115357 /nfs/dbraw/zinc/11/53/57/1024115357.db2.gz SCTRRWQCRBQTGZ-UHFFFAOYSA-N 1 0 329.400 4.281 20 5 EIBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582762 1024164598 /nfs/dbraw/zinc/16/45/98/1024164598.db2.gz WWYWLJZGHJFNRE-HNNXBMFYSA-N 1 0 339.395 4.189 20 5 EIBDRO C[C@@H](CCc1c(F)cccc1F)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000510665364 1024199850 /nfs/dbraw/zinc/19/98/50/1024199850.db2.gz NQPHXJPOGLAAHO-ZDUSSCGKSA-N 1 0 334.366 4.026 20 5 EIBDRO C[C@@H](CCc1c(F)cccc1F)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000510664762 1024200214 /nfs/dbraw/zinc/20/02/14/1024200214.db2.gz LZOCWDLRAGVMHP-ZDUSSCGKSA-N 1 0 334.366 4.026 20 5 EIBDRO CCOCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236874312 1024591816 /nfs/dbraw/zinc/59/18/16/1024591816.db2.gz GEWPNJSSJRKEIM-UHFFFAOYSA-N 1 0 338.791 4.024 20 5 EIBDRO CCC[C@@H](CCO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000236879988 1024836954 /nfs/dbraw/zinc/83/69/54/1024836954.db2.gz TYTLOMIFLYTPRK-AWEZNQCLSA-N 1 0 348.468 4.212 20 5 EIBDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000510959899 1024866375 /nfs/dbraw/zinc/86/63/75/1024866375.db2.gz QHYXJDDKKBGQRY-YVEFUNNKSA-N 1 0 344.386 4.389 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000121316523 1025197268 /nfs/dbraw/zinc/19/72/68/1025197268.db2.gz DEIDPZCVQIYFOX-KGLIPLIRSA-N 1 0 344.411 4.332 20 5 EIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+](CC2CC2)C2CCC2)c1 ZINC000549613562 1025349681 /nfs/dbraw/zinc/34/96/81/1025349681.db2.gz NPWWHVMKDOTVHD-UHFFFAOYSA-N 1 0 328.334 4.378 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@H]2CCc3c2cccc3O)cc1[N+](=O)[O-] ZINC000105487137 1025378314 /nfs/dbraw/zinc/37/83/14/1025378314.db2.gz IIWXRHSJQPLMJK-KRWDZBQOSA-N 1 0 326.396 4.201 20 5 EIBDRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000611561491 1025385457 /nfs/dbraw/zinc/38/54/57/1025385457.db2.gz RMIUHHFUJDGHHO-FAQJLRJSSA-N 1 0 328.334 4.271 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1cccc(OC)c1OC)c1cccc([N+](=O)[O-])c1 ZINC000165963221 1025463964 /nfs/dbraw/zinc/46/39/64/1025463964.db2.gz JCQALOCZRVDZQI-QGZVFWFLSA-N 1 0 344.411 4.243 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc(C(F)(F)F)c1 ZINC000511027880 1025668575 /nfs/dbraw/zinc/66/85/75/1025668575.db2.gz JIFWHZFGMFDIRP-HUUCEWRRSA-N 1 0 328.334 4.282 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CCOC)C(C)(C)C)cc1[N+](=O)[O-] ZINC000511035054 1025769203 /nfs/dbraw/zinc/76/92/03/1025769203.db2.gz SDMAREPUQNBJBL-CXAGYDPISA-N 1 0 338.448 4.095 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000511036392 1025773250 /nfs/dbraw/zinc/77/32/50/1025773250.db2.gz FUCMRFVPNHTHHO-IYOUNJFTSA-N 1 0 343.402 4.191 20 5 EIBDRO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC001167517890 1025899764 /nfs/dbraw/zinc/89/97/64/1025899764.db2.gz SKVSTZQXNXJRSJ-UZLBHIALSA-N 1 0 342.439 4.328 20 5 EIBDRO CCCCC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000072970248 1026097797 /nfs/dbraw/zinc/09/77/97/1026097797.db2.gz UHAMSNUQZIXJGG-UHFFFAOYSA-N 1 0 332.404 4.045 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000168085065 1026119962 /nfs/dbraw/zinc/11/99/62/1026119962.db2.gz NKDAAUQDVYQVJI-SNVBAGLBSA-N 1 0 340.301 4.186 20 5 EIBDRO CC[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CCCCC1 ZINC000728896691 1026170972 /nfs/dbraw/zinc/17/09/72/1026170972.db2.gz SRPYJHKXWKYPQS-UHFFFAOYSA-N 1 0 328.416 4.070 20 5 EIBDRO Cc1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c2ccccc2n1 ZINC000550197447 1026315320 /nfs/dbraw/zinc/31/53/20/1026315320.db2.gz RIOGLMKYUCNXGK-UHFFFAOYSA-N 1 0 333.391 4.010 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540605428 1026434158 /nfs/dbraw/zinc/43/41/58/1026434158.db2.gz FRMIKZUHCMLIIB-TYILLQQXSA-N 1 0 346.402 4.469 20 5 EIBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1cc2ccccc2o1 ZINC000478409260 1026560343 /nfs/dbraw/zinc/56/03/43/1026560343.db2.gz XXKMNBVEFMXHRA-CQSZACIVSA-N 1 0 342.399 4.011 20 5 EIBDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182159142 1026619671 /nfs/dbraw/zinc/61/96/71/1026619671.db2.gz VORNVQCKUWUNEP-OAHLLOKOSA-N 1 0 326.824 4.029 20 5 EIBDRO CCCOc1cc(CN(C)Cc2ccccc2[N+](=O)[O-])ccc1OC ZINC000507174904 1026686357 /nfs/dbraw/zinc/68/63/57/1026686357.db2.gz TUQCPNQWDVOHPO-UHFFFAOYSA-N 1 0 344.411 4.024 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccc(C)n1 ZINC000479461992 1026818013 /nfs/dbraw/zinc/81/80/13/1026818013.db2.gz DRVYXJUTQXKCKH-OAHLLOKOSA-N 1 0 345.468 4.001 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000479570690 1026841595 /nfs/dbraw/zinc/84/15/95/1026841595.db2.gz YAPKKHRZGHYJEV-MRXNPFEDSA-N 1 0 332.787 4.034 20 5 EIBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000472253990 1027219132 /nfs/dbraw/zinc/21/91/32/1027219132.db2.gz BFJLDWXMTPCMOR-QGZVFWFLSA-N 1 0 348.834 4.062 20 5 EIBDRO COCCC1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC1 ZINC000475488973 1027457424 /nfs/dbraw/zinc/45/74/24/1027457424.db2.gz UQJTZMLFWGCWIQ-UHFFFAOYSA-N 1 0 346.452 4.372 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000178689079 1027487780 /nfs/dbraw/zinc/48/77/80/1027487780.db2.gz QZIATMWAVPKXIQ-OLZOCXBDSA-N 1 0 329.356 4.223 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000441379201 1027502552 /nfs/dbraw/zinc/50/25/52/1027502552.db2.gz FIAGQGNEDIMUSI-ZBFHGGJFSA-N 1 0 328.387 4.360 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000441401216 1027524353 /nfs/dbraw/zinc/52/43/53/1027524353.db2.gz XUZQZULIUKAJAR-FGTMMUONSA-N 1 0 345.487 4.242 20 5 EIBDRO COc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000441406646 1027540999 /nfs/dbraw/zinc/54/09/99/1027540999.db2.gz YHUMRHVHDNEODF-HUUCEWRRSA-N 1 0 326.396 4.154 20 5 EIBDRO CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444640885 1027935378 /nfs/dbraw/zinc/93/53/78/1027935378.db2.gz CUALVXOJBPAWBE-LJQANCHMSA-N 1 0 338.411 4.300 20 5 EIBDRO CC[C@@H]([NH2+]CCNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000523386171 1028053594 /nfs/dbraw/zinc/05/35/94/1028053594.db2.gz NFJCCSJEAODYGD-QGZVFWFLSA-N 1 0 335.354 4.026 20 5 EIBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000536365480 1028155382 /nfs/dbraw/zinc/15/53/82/1028155382.db2.gz LHOJEYGQXNUHDY-SIIHOXLZSA-N 1 0 341.411 4.403 20 5 EIBDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000583332757 1028522024 /nfs/dbraw/zinc/52/20/24/1028522024.db2.gz SJIFOGVCSKJYQT-FNHZYXHNSA-N 1 0 332.444 4.156 20 5 EIBDRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000583332758 1028522571 /nfs/dbraw/zinc/52/25/71/1028522571.db2.gz SJIFOGVCSKJYQT-LJHODMEESA-N 1 0 332.444 4.156 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000346791079 1028671941 /nfs/dbraw/zinc/67/19/41/1028671941.db2.gz GQICPMWDJZSONS-FZKQIMNGSA-N 1 0 326.396 4.332 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000444008348 1028731016 /nfs/dbraw/zinc/73/10/16/1028731016.db2.gz HVCKZRGJEXKHSR-PTNGSMBKSA-N 1 0 337.423 4.062 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281768216 1028863840 /nfs/dbraw/zinc/86/38/40/1028863840.db2.gz WSRCFJUOFLHUKQ-KRWDZBQOSA-N 1 0 349.793 4.066 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(n1)CCCC3)CCC2 ZINC000278358816 1028990237 /nfs/dbraw/zinc/99/02/37/1028990237.db2.gz CTZXZTQFBWJKNK-HXUWFJFHSA-N 1 0 337.423 4.036 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248669096 1029131312 /nfs/dbraw/zinc/13/13/12/1029131312.db2.gz AMRLLNXEWUFIGY-YWZLYKJASA-N 1 0 338.407 4.096 20 5 EIBDRO CC(C)[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000475230040 1029452791 /nfs/dbraw/zinc/45/27/91/1029452791.db2.gz FXGCUAXWJGRVSL-INIZCTEOSA-N 1 0 338.411 4.001 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000475334779 1029549514 /nfs/dbraw/zinc/54/95/14/1029549514.db2.gz QYOSYBDCICGBDA-WBVHZDCISA-N 1 0 344.386 4.168 20 5 EIBDRO COCCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000475336964 1029552281 /nfs/dbraw/zinc/55/22/81/1029552281.db2.gz PBHUKHUTLSUBDS-IBGZPJMESA-N 1 0 342.439 4.031 20 5 EIBDRO CCC[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000446838449 1029605328 /nfs/dbraw/zinc/60/53/28/1029605328.db2.gz ILFBPABMKQBUCW-OAHLLOKOSA-N 1 0 338.411 4.145 20 5 EIBDRO COc1ccc([C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C2CC2)cc1 ZINC000584361492 1029763755 /nfs/dbraw/zinc/76/37/55/1029763755.db2.gz SDDIUOYLLYNQJJ-ICSRJNTNSA-N 1 0 338.407 4.332 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000158832209 1029856450 /nfs/dbraw/zinc/85/64/50/1029856450.db2.gz GQTDYZZSNZZYFD-VLIAUNLRSA-N 1 0 336.391 4.132 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(Cl)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000450674632 1029907923 /nfs/dbraw/zinc/90/79/23/1029907923.db2.gz CCLLHJCULVHYAZ-INIZCTEOSA-N 1 0 334.803 4.498 20 5 EIBDRO O=[N+]([O-])c1ccc(CN2CCC(F)(c3ccccn3)CC2)c(Cl)c1 ZINC000450931576 1030103904 /nfs/dbraw/zinc/10/39/04/1030103904.db2.gz PRYVAZLAXKMAGM-UHFFFAOYSA-N 1 0 349.793 4.104 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1c[nH]c3ccccc13)CCC2 ZINC000447515098 1030111028 /nfs/dbraw/zinc/11/10/28/1030111028.db2.gz JJNRUDRNERHEAO-HXUWFJFHSA-N 1 0 335.407 4.286 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447544879 1030148782 /nfs/dbraw/zinc/14/87/82/1030148782.db2.gz WVGZMJFYBCZSBM-YJYMSZOUSA-N 1 0 326.396 4.332 20 5 EIBDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447589244 1030191719 /nfs/dbraw/zinc/19/17/19/1030191719.db2.gz XIJCYFLFARYAJN-MNEFBYGVSA-N 1 0 332.444 4.013 20 5 EIBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC001307505847 1030332134 /nfs/dbraw/zinc/33/21/34/1030332134.db2.gz JOOOETOCFSDJPR-ZDUSSCGKSA-N 1 0 341.249 4.368 20 5 EIBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000022807480 1030374816 /nfs/dbraw/zinc/37/48/16/1030374816.db2.gz GGRYNULTMFNTCS-MRXNPFEDSA-N 1 0 348.834 4.138 20 5 EIBDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000530464061 1030419626 /nfs/dbraw/zinc/41/96/26/1030419626.db2.gz FEKYJMJBAPOGGD-KBXCAEBGSA-N 1 0 348.443 4.156 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@H]2CCOc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000191123760 1030745649 /nfs/dbraw/zinc/74/56/49/1030745649.db2.gz DKDUXPKKSZDIPS-KRWDZBQOSA-N 1 0 344.386 4.471 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3CCC3CCCC3)nc2c1 ZINC001168176725 1030745883 /nfs/dbraw/zinc/74/58/83/1030745883.db2.gz YEMNTAHVNPBJKS-OAHLLOKOSA-N 1 0 342.443 4.406 20 5 EIBDRO C[C@@H]([NH2+]C1(Cc2ccccc2)CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000451933742 1030783193 /nfs/dbraw/zinc/78/31/93/1030783193.db2.gz CDDYDHLXBLLTON-MRXNPFEDSA-N 1 0 340.423 4.037 20 5 EIBDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001168097340 1030808874 /nfs/dbraw/zinc/80/88/74/1030808874.db2.gz UXUBYKHXOJRZPV-ZIAGYGMSSA-N 1 0 330.432 4.166 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)c(F)c1 ZINC000475673368 1030820958 /nfs/dbraw/zinc/82/09/58/1030820958.db2.gz WVKZMWQTSSPCIH-CTYIDZIISA-N 1 0 334.778 4.423 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000368475091 1030851734 /nfs/dbraw/zinc/85/17/34/1030851734.db2.gz VDDKJEIZXAFVTC-SFHVURJKSA-N 1 0 336.395 4.226 20 5 EIBDRO C[C@H]([NH2+]CCc1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000532440633 1031071031 /nfs/dbraw/zinc/07/10/31/1031071031.db2.gz SZPJCQONMNEKFB-LBPRGKRZSA-N 1 0 336.338 4.090 20 5 EIBDRO CC(C)COc1ccccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000532479671 1031209220 /nfs/dbraw/zinc/20/92/20/1031209220.db2.gz KPYBUDOYQZOBKU-OAHLLOKOSA-N 1 0 328.412 4.480 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000179803396 1031312878 /nfs/dbraw/zinc/31/28/78/1031312878.db2.gz SVTWHGGPZQBVGJ-HWKANZROSA-N 1 0 336.391 4.103 20 5 EIBDRO COc1ccc2c(c1)CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000612419893 1031500254 /nfs/dbraw/zinc/50/02/54/1031500254.db2.gz YCNJXLOWJGYVCX-KSSFIOAISA-N 1 0 340.423 4.120 20 5 EIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000449210275 1031535454 /nfs/dbraw/zinc/53/54/54/1031535454.db2.gz RRACBGBWPBZRNS-ZDUSSCGKSA-N 1 0 347.484 4.112 20 5 EIBDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449248023 1031563339 /nfs/dbraw/zinc/56/33/39/1031563339.db2.gz HONCEWNVBYOJFQ-ZIAGYGMSSA-N 1 0 344.459 4.137 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000548934991 1031586981 /nfs/dbraw/zinc/58/69/81/1031586981.db2.gz ZPSUDXIOKQUZDQ-AWEZNQCLSA-N 1 0 328.334 4.149 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)cc1[N+](=O)[O-] ZINC000449348186 1031646013 /nfs/dbraw/zinc/64/60/13/1031646013.db2.gz FWXQOJPHBAZZOX-MRXNPFEDSA-N 1 0 348.349 4.049 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000136726012 1031663449 /nfs/dbraw/zinc/66/34/49/1031663449.db2.gz GWSHGRXVFNVCJG-DBWMJRBXSA-N 1 0 330.428 4.080 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCC2CCOCC2)o1 ZINC000449354193 1031676871 /nfs/dbraw/zinc/67/68/71/1031676871.db2.gz KYNZLNMIFAPUOA-UHFFFAOYSA-N 1 0 344.411 4.151 20 5 EIBDRO CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000127700431 1031707426 /nfs/dbraw/zinc/70/74/26/1031707426.db2.gz AESNHCROZBAUKD-OAHLLOKOSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000531960908 1031879121 /nfs/dbraw/zinc/87/91/21/1031879121.db2.gz FIXSTHMQXPXMRN-CABCVRRESA-N 1 0 328.412 4.281 20 5 EIBDRO Cc1c([C@H](C)[NH2+]CCc2cccc3cccnc32)cccc1[N+](=O)[O-] ZINC000531989956 1031898039 /nfs/dbraw/zinc/89/80/39/1031898039.db2.gz BDYHYZBIIJGTDZ-HNNXBMFYSA-N 1 0 335.407 4.345 20 5 EIBDRO COc1cccc([C@H]2C[C@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000453373178 1031919426 /nfs/dbraw/zinc/91/94/26/1031919426.db2.gz OQLDTPGCOPVDGM-KBRIMQKVSA-N 1 0 326.396 4.200 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncc(C)s1 ZINC000536624727 1031953725 /nfs/dbraw/zinc/95/37/25/1031953725.db2.gz DHHGUDOBAMXUKA-LBPRGKRZSA-N 1 0 337.470 4.020 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000531995223 1031962101 /nfs/dbraw/zinc/96/21/01/1031962101.db2.gz HQLIZRKLBICBKY-FZKQIMNGSA-N 1 0 347.846 4.202 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cccnc3)o2)c(Cl)c1 ZINC000237816526 1031981693 /nfs/dbraw/zinc/98/16/93/1031981693.db2.gz WPFTXFZVBXJHBQ-UHFFFAOYSA-N 1 0 343.770 4.193 20 5 EIBDRO COC[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000449775644 1031999422 /nfs/dbraw/zinc/99/94/22/1031999422.db2.gz MZMQIDRGELOSHH-HNNXBMFYSA-N 1 0 344.411 4.103 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433145190 1033937777 /nfs/dbraw/zinc/93/77/77/1033937777.db2.gz PKXDXKVRHKAPPI-QGZVFWFLSA-N 1 0 345.487 4.216 20 5 EIBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000512863883 1034077276 /nfs/dbraw/zinc/07/72/76/1034077276.db2.gz HLCNTTHYKMLYLB-IAQYHMDHSA-N 1 0 334.466 4.164 20 5 EIBDRO COc1cccc([C@H]2CCCN2Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000509851294 1034173381 /nfs/dbraw/zinc/17/33/81/1034173381.db2.gz OOJMWGNCGSGYIR-GOSISDBHSA-N 1 0 348.349 4.219 20 5 EIBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(C2CC2)cc1 ZINC000419327430 1034304998 /nfs/dbraw/zinc/30/49/98/1034304998.db2.gz CXOHFJYTZROHMQ-LBPRGKRZSA-N 1 0 336.395 4.199 20 5 EIBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C3CC3)cc2)ccc1[N+](=O)[O-] ZINC000419337805 1034352263 /nfs/dbraw/zinc/35/22/63/1034352263.db2.gz LEHAPDNSQDMHII-ZDUSSCGKSA-N 1 0 326.396 4.332 20 5 EIBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000513077865 1034496539 /nfs/dbraw/zinc/49/65/39/1034496539.db2.gz VWVMNMKZCBKASO-DFQSSKMNSA-N 1 0 340.423 4.036 20 5 EIBDRO CSc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000576399106 1034515300 /nfs/dbraw/zinc/51/53/00/1034515300.db2.gz GNBKKFFLSJVRIG-SFHVURJKSA-N 1 0 328.437 4.484 20 5 EIBDRO O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)[NH+]2CCCC2)c(Cl)c1 ZINC000015171827 1034641964 /nfs/dbraw/zinc/64/19/64/1034641964.db2.gz CDMMNYYLRVBGJJ-OAHLLOKOSA-N 1 0 335.791 4.090 20 5 EIBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c(Cl)c1 ZINC000015171829 1034642122 /nfs/dbraw/zinc/64/21/22/1034642122.db2.gz CDMMNYYLRVBGJJ-HNNXBMFYSA-N 1 0 335.791 4.090 20 5 EIBDRO COc1ccccc1C[C@H](C)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000513479527 1034980976 /nfs/dbraw/zinc/98/09/76/1034980976.db2.gz NGHQYBGJZHLMKB-KXKDPZRNSA-N 1 0 340.423 4.180 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000595015484 1035504930 /nfs/dbraw/zinc/50/49/30/1035504930.db2.gz OBULAUDZTGPSLL-PIGZYNQJSA-N 1 0 330.359 4.081 20 5 EIBDRO CCOc1cccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595017898 1035508448 /nfs/dbraw/zinc/50/84/48/1035508448.db2.gz WYPYVHUZVHQHFA-UONOGXRCSA-N 1 0 344.411 4.414 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(SC)cc1 ZINC000595016234 1035508526 /nfs/dbraw/zinc/50/85/26/1035508526.db2.gz IWXQEVMIVSJXKO-LBPRGKRZSA-N 1 0 332.425 4.176 20 5 EIBDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595020290 1035508697 /nfs/dbraw/zinc/50/86/97/1035508697.db2.gz YLOYLQMAPSPVJJ-QWHCGFSZSA-N 1 0 330.384 4.024 20 5 EIBDRO COCc1csc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000594987163 1035519359 /nfs/dbraw/zinc/51/93/59/1035519359.db2.gz WYUCHTHFUDONMO-UHFFFAOYSA-N 1 0 334.441 4.216 20 5 EIBDRO COc1ccccc1[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595003301 1035522715 /nfs/dbraw/zinc/52/27/15/1035522715.db2.gz GMBCBCHPVMJHNM-OLZOCXBDSA-N 1 0 330.384 4.024 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595003686 1035528790 /nfs/dbraw/zinc/52/87/90/1035528790.db2.gz JQIBJPDQDIGTNS-KGLIPLIRSA-N 1 0 344.411 4.414 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000595080725 1035591797 /nfs/dbraw/zinc/59/17/97/1035591797.db2.gz NUKMXKOZUCPVGK-IAQYHMDHSA-N 1 0 328.359 4.080 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000595080724 1035593500 /nfs/dbraw/zinc/59/35/00/1035593500.db2.gz NUKMXKOZUCPVGK-ABAIWWIYSA-N 1 0 328.359 4.080 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CC1(F)F ZINC000595079556 1035593663 /nfs/dbraw/zinc/59/36/63/1035593663.db2.gz KMHMJQNBBGFMPH-SMDDNHRTSA-N 1 0 330.400 4.100 20 5 EIBDRO CCC[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cccc([N+](=O)[O-])c1 ZINC000595088635 1035594144 /nfs/dbraw/zinc/59/41/44/1035594144.db2.gz KNLHOGDIBBZNBM-MOPGFXCFSA-N 1 0 326.396 4.419 20 5 EIBDRO CC[C@H]([NH2+][C@H](c1ccccc1)[C@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595094081 1035603990 /nfs/dbraw/zinc/60/39/90/1035603990.db2.gz BVWCDCRFOYJNHT-XUVXKRRUSA-N 1 0 342.439 4.394 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](C)c2nccc3ccccc32)cc1[N+](=O)[O-] ZINC000574965306 1035642024 /nfs/dbraw/zinc/64/20/24/1035642024.db2.gz KZUNDRAQIOLFQI-ZDUSSCGKSA-N 1 0 337.379 4.002 20 5 EIBDRO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595415977 1035672649 /nfs/dbraw/zinc/67/26/49/1035672649.db2.gz PCMPSWXILMSOPX-CYBMUJFWSA-N 1 0 332.375 4.372 20 5 EIBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000595492044 1035688164 /nfs/dbraw/zinc/68/81/64/1035688164.db2.gz ZKRODHADTGDFKF-BJHJDKERSA-N 1 0 334.313 4.287 20 5 EIBDRO Cc1c(NC(=O)CC[N@@H+](C(C)C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000491111013 1035802331 /nfs/dbraw/zinc/80/23/31/1035802331.db2.gz SEDBUHGQRKSKPD-UHFFFAOYSA-N 1 0 347.459 4.275 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@H]2CCc3cc(N)ccc32)c2cc([N+](=O)[O-])ccc21 ZINC000596650002 1035957198 /nfs/dbraw/zinc/95/71/98/1035957198.db2.gz FLVRLMRQXYPRHZ-OALUTQOASA-N 1 0 337.423 4.177 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](c1cccnc1)C(C)C ZINC000164159051 1035979993 /nfs/dbraw/zinc/97/99/93/1035979993.db2.gz XPPFTCFTAKOSBH-BEFAXECRSA-N 1 0 327.428 4.389 20 5 EIBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc3ncsc3c2)cc1[N+](=O)[O-] ZINC000485708577 1036186194 /nfs/dbraw/zinc/18/61/94/1036186194.db2.gz AYPNHGGURRTYDE-LBPRGKRZSA-N 1 0 327.409 4.364 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000502484765 1036264484 /nfs/dbraw/zinc/26/44/84/1036264484.db2.gz HYKRRJJVDCVXLY-SFHVURJKSA-N 1 0 332.375 4.229 20 5 EIBDRO CC(F)(F)CCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602671091 1036547452 /nfs/dbraw/zinc/54/74/52/1036547452.db2.gz IYLOWFZUODXUOC-UHFFFAOYSA-N 1 0 326.265 4.139 20 5 EIBDRO Cc1csc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)c1 ZINC000602676486 1036553510 /nfs/dbraw/zinc/55/35/10/1036553510.db2.gz QSCHIPNMEUZYJC-UHFFFAOYSA-N 1 0 347.259 4.079 20 5 EIBDRO C[C@H](CCc1ccccc1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588959293 1036624215 /nfs/dbraw/zinc/62/42/15/1036624215.db2.gz WXPGHPNVUUSLPM-OAHLLOKOSA-N 1 0 337.423 4.230 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](c2ccccn2)C2CCC2)cc1[N+](=O)[O-] ZINC000599067381 1036867867 /nfs/dbraw/zinc/86/78/67/1036867867.db2.gz VLKIMEDOBMHPED-LIRRHRJNSA-N 1 0 325.412 4.490 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](c2ccccn2)C2CCC2)cc1[N+](=O)[O-] ZINC000599067378 1036868110 /nfs/dbraw/zinc/86/81/10/1036868110.db2.gz VLKIMEDOBMHPED-AUUYWEPGSA-N 1 0 325.412 4.490 20 5 EIBDRO COc1ccc([C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C2CC2)cn1 ZINC000599095925 1036876565 /nfs/dbraw/zinc/87/65/65/1036876565.db2.gz JITORGYYHRSQMR-BFUOFWGJSA-N 1 0 341.411 4.109 20 5 EIBDRO CC[C@H]([NH2+][C@H](c1ccc(OC)nc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000599096633 1036876717 /nfs/dbraw/zinc/87/67/17/1036876717.db2.gz USFYKYCQYRWAKM-HKUYNNGSSA-N 1 0 341.411 4.190 20 5 EIBDRO CCOc1cc(NC[C@@H](c2ccco2)[NH+](CC)CC)ccc1[N+](=O)[O-] ZINC000486923279 1036891922 /nfs/dbraw/zinc/89/19/22/1036891922.db2.gz YQDOXCGAYWCNBG-INIZCTEOSA-N 1 0 347.415 4.082 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@H](C2CC2)C2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000593715007 1036917896 /nfs/dbraw/zinc/91/78/96/1036917896.db2.gz FVMXPELKHZQCRW-RBUKOAKNSA-N 1 0 344.455 4.112 20 5 EIBDRO CSc1ccc([C@H](CNc2ccsc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000590150802 1036994819 /nfs/dbraw/zinc/99/48/19/1036994819.db2.gz IGDHAQPMROXMFQ-AWEZNQCLSA-N 1 0 337.470 4.093 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cccc(O)c2Cl)cc1 ZINC000590184391 1037005521 /nfs/dbraw/zinc/00/55/21/1037005521.db2.gz HIJLNLCDBKXOOY-UHFFFAOYSA-N 1 0 334.803 4.066 20 5 EIBDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000603836878 1037021389 /nfs/dbraw/zinc/02/13/89/1037021389.db2.gz XUKYVEWTMFNHKL-LJQANCHMSA-N 1 0 326.396 4.249 20 5 EIBDRO C[C@H](c1cc2ccccc2o1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000603836969 1037032270 /nfs/dbraw/zinc/03/22/70/1037032270.db2.gz FZCHAIFLTDECAL-CQSZACIVSA-N 1 0 340.379 4.413 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000603889903 1037076164 /nfs/dbraw/zinc/07/61/64/1037076164.db2.gz DJCRGRRDLNBVDQ-KRWDZBQOSA-N 1 0 335.407 4.456 20 5 EIBDRO COc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C2CC2)cc1 ZINC000057601370 1037136211 /nfs/dbraw/zinc/13/62/11/1037136211.db2.gz QBLKTGOPBQYOKA-OAHLLOKOSA-N 1 0 340.423 4.404 20 5 EIBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000604012183 1037147427 /nfs/dbraw/zinc/14/74/27/1037147427.db2.gz IOEHJSOPKSMHDZ-KRWDZBQOSA-N 1 0 332.425 4.262 20 5 EIBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])s1)c1ccsc1 ZINC000604409256 1037364222 /nfs/dbraw/zinc/36/42/22/1037364222.db2.gz KSDPGADILZWROS-LBPRGKRZSA-N 1 0 325.459 4.213 20 5 EIBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CS1 ZINC000488527409 1037650746 /nfs/dbraw/zinc/65/07/46/1037650746.db2.gz BRVBBBQNLVUNJF-BXUZGUMPSA-N 1 0 328.865 4.258 20 5 EIBDRO Cc1cc([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)oc1C ZINC000573836076 1037686178 /nfs/dbraw/zinc/68/61/78/1037686178.db2.gz ASJKKNLENMTMFB-GFCCVEGCSA-N 1 0 327.384 4.179 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2ccccc2C)CCC1 ZINC000593040111 1037904418 /nfs/dbraw/zinc/90/44/18/1037904418.db2.gz OHMRBNPOZFBOFK-UHFFFAOYSA-N 1 0 326.396 4.081 20 5 EIBDRO CC(C)c1ccc([C@H]([NH3+])CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000423235117 1038055293 /nfs/dbraw/zinc/05/52/93/1038055293.db2.gz GHUVHXIREOMJKX-IFXJQAMLSA-N 1 0 327.428 4.069 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000423352583 1038161598 /nfs/dbraw/zinc/16/15/98/1038161598.db2.gz KTPIGXULHKHJLC-RBUKOAKNSA-N 1 0 325.412 4.295 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000423361019 1038177115 /nfs/dbraw/zinc/17/71/15/1038177115.db2.gz WPYADNMIEUOXRT-SCLBCKFNSA-N 1 0 325.412 4.214 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc3c2CCCN3)cc1[N+](=O)[O-] ZINC000423416522 1038223409 /nfs/dbraw/zinc/22/34/09/1038223409.db2.gz QVPBKLGZNYFIPX-CQSZACIVSA-N 1 0 325.412 4.112 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000423427463 1038231903 /nfs/dbraw/zinc/23/19/03/1038231903.db2.gz QMGJWMQDUIWGPO-SJKOYZFVSA-N 1 0 341.411 4.130 20 5 EIBDRO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCC(F)(F)CC1 ZINC000594044971 1038287844 /nfs/dbraw/zinc/28/78/44/1038287844.db2.gz VQDUMSYDDKGEAO-VIFPVBQESA-N 1 0 334.313 4.177 20 5 EIBDRO COc1cc(Cl)ccc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574530552 1038288195 /nfs/dbraw/zinc/28/81/95/1038288195.db2.gz CDXBPCQWIRDCIW-OAHLLOKOSA-N 1 0 332.787 4.034 20 5 EIBDRO COc1cc(C[NH2+][C@@H](c2ccccc2)C2CCC2)ccc1[N+](=O)[O-] ZINC000489974840 1038293662 /nfs/dbraw/zinc/29/36/62/1038293662.db2.gz BFAHVVNFFYCLED-IBGZPJMESA-N 1 0 326.396 4.234 20 5 EIBDRO CC(C)(C)c1ccncc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594521799 1038360312 /nfs/dbraw/zinc/36/03/12/1038360312.db2.gz VBUNUPISYXDQAB-KRWDZBQOSA-N 1 0 325.412 4.064 20 5 EIBDRO COc1ccc([C@H]2CC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000504519952 1038393915 /nfs/dbraw/zinc/39/39/15/1038393915.db2.gz BHJUEKPURFIZGB-PBHICJAKSA-N 1 0 326.396 4.154 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C1CC1)C1CCCCC1 ZINC000063497942 1038395478 /nfs/dbraw/zinc/39/54/78/1038395478.db2.gz AJVGGIJPQHJDHF-UHFFFAOYSA-N 1 0 345.443 4.029 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cc3ccncc3s2)cc1 ZINC000594924149 1038431430 /nfs/dbraw/zinc/43/14/30/1038431430.db2.gz WMXGLZNRMYPRIT-UHFFFAOYSA-N 1 0 341.436 4.317 20 5 EIBDRO COc1cccc([C@@H]2C[C@H](C)CN2Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC001168424151 1038623143 /nfs/dbraw/zinc/62/31/43/1038623143.db2.gz UOUTWLLLPJGBOV-DJJJIMSYSA-N 1 0 344.386 4.326 20 5 EIBDRO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000480764497 1038790649 /nfs/dbraw/zinc/79/06/49/1038790649.db2.gz BCFQRHNFBATWDV-KSSFIOAISA-N 1 0 347.484 4.390 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)C1CC1 ZINC000539062116 1038807884 /nfs/dbraw/zinc/80/78/84/1038807884.db2.gz SLRPHZRWJXGQPD-XWSHUIEDSA-N 1 0 348.446 4.091 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2(O)CCCCC2)s1 ZINC000238145002 1038825177 /nfs/dbraw/zinc/82/51/77/1038825177.db2.gz ZKUDDILPJTUJAY-UHFFFAOYSA-N 1 0 346.452 4.108 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccsc1 ZINC000504899891 1038843064 /nfs/dbraw/zinc/84/30/64/1038843064.db2.gz NZIHCNCXVFATMC-AWEZNQCLSA-N 1 0 336.482 4.359 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2ccccc2F)cc1[N+](=O)[O-] ZINC000504912402 1038849007 /nfs/dbraw/zinc/84/90/07/1038849007.db2.gz VVIRGHNAXNCXGV-CYBMUJFWSA-N 1 0 332.375 4.026 20 5 EIBDRO Cc1ccc(C(=O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000480860655 1038850741 /nfs/dbraw/zinc/85/07/41/1038850741.db2.gz AAMYKLVPYOHMKE-UHFFFAOYSA-N 1 0 338.407 4.141 20 5 EIBDRO Cc1c([C@H](C)[NH2+]CCCOCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000480909358 1038867844 /nfs/dbraw/zinc/86/78/44/1038867844.db2.gz OWQGVUKHTHNJLM-KRWDZBQOSA-N 1 0 342.439 4.203 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H](C)COc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000481046966 1038982433 /nfs/dbraw/zinc/98/24/33/1038982433.db2.gz ZMPIXWKZVQQQPE-OCCSQVGLSA-N 1 0 332.375 4.160 20 5 EIBDRO COc1cccc(CCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000539379108 1039035842 /nfs/dbraw/zinc/03/58/42/1039035842.db2.gz NHWGYKRHXXATTK-HNNXBMFYSA-N 1 0 328.412 4.195 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000552072472 1039107030 /nfs/dbraw/zinc/10/70/30/1039107030.db2.gz KZMKQZXBGRSPLG-PKIQDBGSSA-N 1 0 326.371 4.283 20 5 EIBDRO C[N@@H+]1CC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000534270578 1039281981 /nfs/dbraw/zinc/28/19/81/1039281981.db2.gz BFTGSCCJZZWCRJ-RTBURBONSA-N 1 0 348.406 4.000 20 5 EIBDRO CC[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000513824803 1039303570 /nfs/dbraw/zinc/30/35/70/1039303570.db2.gz QYKUGTZMGDRPGD-WDSOQIARSA-N 1 0 346.471 4.101 20 5 EIBDRO COC1CCC(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000513825509 1039325275 /nfs/dbraw/zinc/32/52/75/1039325275.db2.gz DNMWHYMBRFJROM-JGJLBUBWSA-N 1 0 346.471 4.101 20 5 EIBDRO CCCOc1ncccc1C[NH2+][C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000481429704 1039415915 /nfs/dbraw/zinc/41/59/15/1039415915.db2.gz ZDDGZCUTHRQJKZ-SFHVURJKSA-N 1 0 343.427 4.410 20 5 EIBDRO Cc1ccc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000478224734 1039560148 /nfs/dbraw/zinc/56/01/48/1039560148.db2.gz GVROORIDCBPZTE-RBUKOAKNSA-N 1 0 344.386 4.052 20 5 EIBDRO CCOc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000481570516 1039588559 /nfs/dbraw/zinc/58/85/59/1039588559.db2.gz VQPFSENPMRGMBT-LJQANCHMSA-N 1 0 340.423 4.104 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C)c(F)c2)cc1[N+](=O)[O-] ZINC000152684438 1039606984 /nfs/dbraw/zinc/60/69/84/1039606984.db2.gz NEVKGFMLVPLVDC-ZDUSSCGKSA-N 1 0 332.375 4.292 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC12CCCCC2 ZINC000534668140 1039640410 /nfs/dbraw/zinc/64/04/10/1039640410.db2.gz LGCOEMOWHJTQLF-UHFFFAOYSA-N 1 0 345.443 4.031 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481691678 1039736323 /nfs/dbraw/zinc/73/63/23/1039736323.db2.gz HZAUUISFFIEQRE-YWZLYKJASA-N 1 0 338.407 4.177 20 5 EIBDRO Cc1c([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cnn1C(C)(C)C ZINC000478482833 1039776503 /nfs/dbraw/zinc/77/65/03/1039776503.db2.gz CXZJMVBKNPHVII-ZDUSSCGKSA-N 1 0 330.432 4.014 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1OC(F)F)CCC2 ZINC000192627256 1039849414 /nfs/dbraw/zinc/84/94/14/1039849414.db2.gz NNNWBHBMSCMBAS-MRXNPFEDSA-N 1 0 348.349 4.363 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C(=O)OC)cc1 ZINC000551006792 1039868157 /nfs/dbraw/zinc/86/81/57/1039868157.db2.gz WSWBBHQXRZEPEE-SCLBCKFNSA-N 1 0 342.395 4.183 20 5 EIBDRO COc1ccc(C[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H](C)C2CC2)cc1 ZINC000505525954 1039872863 /nfs/dbraw/zinc/87/28/63/1039872863.db2.gz KMZQELRVKXFSHA-CYBMUJFWSA-N 1 0 346.452 4.466 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(C)nc1 ZINC000535066308 1039905222 /nfs/dbraw/zinc/90/52/22/1039905222.db2.gz JAHPHFMPBYZDDO-MRXNPFEDSA-N 1 0 345.468 4.001 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000325133743 1040219900 /nfs/dbraw/zinc/21/99/00/1040219900.db2.gz ONGCRXWAFJGILK-MRXNPFEDSA-N 1 0 338.329 4.421 20 5 EIBDRO C[NH+](C)CC[C@H](Oc1cccc([N+](=O)[O-])c1Cl)c1cccs1 ZINC001225785862 1040262095 /nfs/dbraw/zinc/26/20/95/1040262095.db2.gz MLOKLZQAWUBQEZ-LBPRGKRZSA-N 1 0 340.832 4.382 20 5 EIBDRO C[C@@H]1c2cccn2CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000505664623 1040277852 /nfs/dbraw/zinc/27/78/52/1040277852.db2.gz SINWDFYMRWIVFW-CQSZACIVSA-N 1 0 337.379 4.233 20 5 EIBDRO CSc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192727700 1040378743 /nfs/dbraw/zinc/37/87/43/1040378743.db2.gz PXSLYBXQNQGGIC-GOSISDBHSA-N 1 0 328.437 4.484 20 5 EIBDRO CC(C)(C)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000482704242 1040440954 /nfs/dbraw/zinc/44/09/54/1040440954.db2.gz INMABELOZKECJU-GOSISDBHSA-N 1 0 338.411 4.348 20 5 EIBDRO COc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(OC)c1 ZINC000479575515 1040486009 /nfs/dbraw/zinc/48/60/09/1040486009.db2.gz DKDHBTCLKYROFJ-UHFFFAOYSA-N 1 0 344.411 4.023 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000539507841 1040499751 /nfs/dbraw/zinc/49/97/51/1040499751.db2.gz JXZNTBLQQRDAIO-TYILLQQXSA-N 1 0 346.402 4.469 20 5 EIBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482950091 1040590623 /nfs/dbraw/zinc/59/06/23/1040590623.db2.gz SCRVDHREIXXMOC-XEZPLFJOSA-N 1 0 348.468 4.381 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000152862734 1040649564 /nfs/dbraw/zinc/64/95/64/1040649564.db2.gz DGCCNTQOTNEKCN-WFASDCNBSA-N 1 0 330.384 4.315 20 5 EIBDRO CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483110620 1040704745 /nfs/dbraw/zinc/70/47/45/1040704745.db2.gz BZKBNZLSSDRWKA-SCLBCKFNSA-N 1 0 348.468 4.381 20 5 EIBDRO CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483110618 1040705115 /nfs/dbraw/zinc/70/51/15/1040705115.db2.gz BZKBNZLSSDRWKA-ACJLOTCBSA-N 1 0 348.468 4.381 20 5 EIBDRO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483110621 1040707206 /nfs/dbraw/zinc/70/72/06/1040707206.db2.gz BZKBNZLSSDRWKA-UGSOOPFHSA-N 1 0 348.468 4.381 20 5 EIBDRO Cc1cc(NC[C@H](C)c2nccs2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302126130 1040708220 /nfs/dbraw/zinc/70/82/20/1040708220.db2.gz IIQJPLQFSZGDPD-JTQLQIEISA-N 1 0 328.397 4.124 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCNc1ccccc1)C1CC1 ZINC000483235362 1040774070 /nfs/dbraw/zinc/77/40/70/1040774070.db2.gz LHEHGTWHOMMIEP-LJQANCHMSA-N 1 0 339.439 4.008 20 5 EIBDRO CC[C@@H]([NH2+]CCCn1cnc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000193024269 1040825951 /nfs/dbraw/zinc/82/59/51/1040825951.db2.gz IHCQVJGJOZQTOJ-QGZVFWFLSA-N 1 0 338.411 4.076 20 5 EIBDRO Cn1cc(C[N@@H+]2CCCC(C)(C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539834984 1040831425 /nfs/dbraw/zinc/83/14/25/1040831425.db2.gz FYMWYWDUKNRMJS-UHFFFAOYSA-N 1 0 342.443 4.007 20 5 EIBDRO CSC[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539849636 1040838212 /nfs/dbraw/zinc/83/82/12/1040838212.db2.gz IGMZMGCTCUWUBM-OAHLLOKOSA-N 1 0 332.425 4.182 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cc(F)c(F)c(F)c2)cc1 ZINC000462770715 1040925688 /nfs/dbraw/zinc/92/56/88/1040925688.db2.gz YAUMSHXONXBNGW-UHFFFAOYSA-N 1 0 338.329 4.125 20 5 EIBDRO COc1cccc(C[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000537976653 1040946201 /nfs/dbraw/zinc/94/62/01/1040946201.db2.gz FHXBKIBZSNBHDQ-LSDHHAIUSA-N 1 0 328.412 4.194 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](c2ccccn2)C2CC2)cc1[N+](=O)[O-] ZINC000903339144 1041017600 /nfs/dbraw/zinc/01/76/00/1041017600.db2.gz LGRPELTUGNMJRJ-DJJJIMSYSA-N 1 0 341.411 4.190 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484281295 1041185107 /nfs/dbraw/zinc/18/51/07/1041185107.db2.gz JYIRCKUYPZPPBA-BBRMVZONSA-N 1 0 345.830 4.178 20 5 EIBDRO CCc1ccc([C@@H]2CN([C@@H](C)c3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000484358073 1041214050 /nfs/dbraw/zinc/21/40/50/1041214050.db2.gz YYDXCWWPAVNBHJ-YWZLYKJASA-N 1 0 340.423 4.292 20 5 EIBDRO COc1cccc(C[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000540173398 1041220009 /nfs/dbraw/zinc/22/00/09/1041220009.db2.gz DKWVWQLENARAKM-HIFRSBDPSA-N 1 0 328.412 4.194 20 5 EIBDRO Cc1ccc(CSCC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000061016318 1041263751 /nfs/dbraw/zinc/26/37/51/1041263751.db2.gz SGPMABNUIKBULZ-UHFFFAOYSA-N 1 0 330.453 4.235 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000540220146 1041284369 /nfs/dbraw/zinc/28/43/69/1041284369.db2.gz KHDAEMBMXFVKAH-PJHJGJPPSA-N 1 0 326.396 4.199 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000554745021 1041376536 /nfs/dbraw/zinc/37/65/36/1041376536.db2.gz BXNSONCYQDUDTI-BETUJISGSA-N 1 0 346.349 4.156 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)cc1 ZINC000540327289 1041384881 /nfs/dbraw/zinc/38/48/81/1041384881.db2.gz AMZIYPZONDBZSH-CQSZACIVSA-N 1 0 344.411 4.241 20 5 EIBDRO C[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000480670204 1041463361 /nfs/dbraw/zinc/46/33/61/1041463361.db2.gz YVNASPXDEFRLOJ-MBNYWOFBSA-N 1 0 330.350 4.094 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C/C=C\c3ccc(F)cc3)c2c1 ZINC000516441059 1041578401 /nfs/dbraw/zinc/57/84/01/1041578401.db2.gz REZQLDQTVBNQIN-UPHRSURJSA-N 1 0 339.370 4.061 20 5 EIBDRO CC[NH+](CC)CCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491304579 1041766179 /nfs/dbraw/zinc/76/61/79/1041766179.db2.gz KJDAMCRYRADSHX-FQEVSTJZSA-N 1 0 341.455 4.006 20 5 EIBDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)c1 ZINC000152964136 1041779801 /nfs/dbraw/zinc/77/98/01/1041779801.db2.gz PJHPTHIAPASINQ-CQSZACIVSA-N 1 0 344.411 4.243 20 5 EIBDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000541377661 1041917807 /nfs/dbraw/zinc/91/78/07/1041917807.db2.gz DMXUVZUAQIGKRL-MRXNPFEDSA-N 1 0 346.427 4.049 20 5 EIBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[NH2+]C2(C3CC3)CC2)cc1OC ZINC000541594607 1042027874 /nfs/dbraw/zinc/02/78/74/1042027874.db2.gz FQNANKPFAYNFTG-CYBMUJFWSA-N 1 0 348.443 4.061 20 5 EIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCc1cccs1 ZINC000464764891 1042154998 /nfs/dbraw/zinc/15/49/98/1042154998.db2.gz YCUHWHALLMVDBR-UHFFFAOYSA-N 1 0 334.441 4.118 20 5 EIBDRO CO[C@@]1(C)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000550000089 1042156343 /nfs/dbraw/zinc/15/63/43/1042156343.db2.gz NVPFCECKBJCCHA-HNNXBMFYSA-N 1 0 346.349 4.005 20 5 EIBDRO CSCc1cccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000438372506 1042159432 /nfs/dbraw/zinc/15/94/32/1042159432.db2.gz OHSPZIVVWWOLSE-UITAMQMPSA-N 1 0 328.437 4.261 20 5 EIBDRO COCCC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000151197873 1042176198 /nfs/dbraw/zinc/17/61/98/1042176198.db2.gz WOXFEPUGQSHJCU-UHFFFAOYSA-N 1 0 346.452 4.230 20 5 EIBDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CS1 ZINC000426005213 1042181428 /nfs/dbraw/zinc/18/14/28/1042181428.db2.gz XMISXVQTARWOQR-TZMCWYRMSA-N 1 0 348.390 4.233 20 5 EIBDRO C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000464859002 1042202530 /nfs/dbraw/zinc/20/25/30/1042202530.db2.gz PPFNLQCISKCAQE-PBHICJAKSA-N 1 0 330.384 4.040 20 5 EIBDRO CC(C)OC(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000271819007 1042411623 /nfs/dbraw/zinc/41/16/23/1042411623.db2.gz ZQQCOPKKNWDNNS-CQSZACIVSA-N 1 0 342.395 4.011 20 5 EIBDRO CC(C)[N@H+](C)CCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491356341 1042431188 /nfs/dbraw/zinc/43/11/88/1042431188.db2.gz LSZOCCPOIWCWPI-FQEVSTJZSA-N 1 0 341.455 4.004 20 5 EIBDRO CC[C@@H](C)N(C)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000518280236 1042450909 /nfs/dbraw/zinc/45/09/09/1042450909.db2.gz WKEAJDFFXNNRAW-CQSZACIVSA-N 1 0 347.484 4.143 20 5 EIBDRO CCC1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000426287470 1042515503 /nfs/dbraw/zinc/51/55/03/1042515503.db2.gz ZHIMGLZFXMCKJH-KRWDZBQOSA-N 1 0 332.444 4.114 20 5 EIBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2ccsc2)ccc1[N+](=O)[O-] ZINC000492464382 1042660079 /nfs/dbraw/zinc/66/00/79/1042660079.db2.gz SMPRZPUMAOUKLP-OAHLLOKOSA-N 1 0 332.425 4.392 20 5 EIBDRO CCOc1cc(C[NH2+]C2(c3ccccc3)CCC2)ccc1[N+](=O)[O-] ZINC000492660515 1042719378 /nfs/dbraw/zinc/71/93/78/1042719378.db2.gz XYMYZJRHSSAYAT-UHFFFAOYSA-N 1 0 326.396 4.163 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000492825149 1042755049 /nfs/dbraw/zinc/75/50/49/1042755049.db2.gz BWASSXPPBCAGNF-OAHLLOKOSA-N 1 0 327.428 4.162 20 5 EIBDRO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761524056 1042874731 /nfs/dbraw/zinc/87/47/31/1042874731.db2.gz SKFLWKHZTGOZNT-UHFFFAOYSA-N 1 0 343.814 4.370 20 5 EIBDRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761515234 1042874759 /nfs/dbraw/zinc/87/47/59/1042874759.db2.gz RXTXNCVXAJUXPF-INIZCTEOSA-N 1 0 348.830 4.021 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2CCCSC2)c2ccccc2)c1 ZINC000493249571 1042889163 /nfs/dbraw/zinc/88/91/63/1042889163.db2.gz QITBWCUUWYTCRB-SJLPKXTDSA-N 1 0 328.437 4.169 20 5 EIBDRO COc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000129578510 1042933125 /nfs/dbraw/zinc/93/31/25/1042933125.db2.gz HINIODKASGCITB-GJZGRUSLSA-N 1 0 344.411 4.030 20 5 EIBDRO COc1ccccc1O[C@H](C)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000129578097 1042933577 /nfs/dbraw/zinc/93/35/77/1042933577.db2.gz HINIODKASGCITB-CABCVRRESA-N 1 0 344.411 4.030 20 5 EIBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1ccc([N+](=O)[O-])cc1 ZINC000346043366 1042960098 /nfs/dbraw/zinc/96/00/98/1042960098.db2.gz GSWYUNXLTMWXLA-LBPRGKRZSA-N 1 0 327.359 4.109 20 5 EIBDRO CCCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c(C)c1 ZINC000474008498 1043029014 /nfs/dbraw/zinc/02/90/14/1043029014.db2.gz LHIZRPCFXJCKAJ-UHFFFAOYSA-N 1 0 332.375 4.121 20 5 EIBDRO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163348494 1043228362 /nfs/dbraw/zinc/22/83/62/1043228362.db2.gz SHUQAKDREFPUIQ-OLZOCXBDSA-N 1 0 332.375 4.463 20 5 EIBDRO CC1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2O1 ZINC000133316111 1043254974 /nfs/dbraw/zinc/25/49/74/1043254974.db2.gz HAQQZCHWUMDUFN-INIZCTEOSA-N 1 0 330.359 4.126 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCCCC1CCOCC1)C1CC1 ZINC000499552946 1043256620 /nfs/dbraw/zinc/25/66/20/1043256620.db2.gz NZTBVRPUPJDPBU-UHFFFAOYSA-N 1 0 332.444 4.156 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCOc3ccccc32)cc1[N+](=O)[O-] ZINC000133536500 1043272766 /nfs/dbraw/zinc/27/27/66/1043272766.db2.gz OOTPPXBAGDFKSW-RHSMWYFYSA-N 1 0 326.396 4.468 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000133736732 1043298607 /nfs/dbraw/zinc/29/86/07/1043298607.db2.gz BFJNXQXYZGNCHW-BLLLJJGKSA-N 1 0 330.432 4.055 20 5 EIBDRO Cc1nc2ccc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)cc2s1 ZINC000494305953 1043415730 /nfs/dbraw/zinc/41/57/30/1043415730.db2.gz CBJKIEHICCNZBK-NSHDSACASA-N 1 0 327.409 4.364 20 5 EIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000520882916 1043423846 /nfs/dbraw/zinc/42/38/46/1043423846.db2.gz RDZXKZFRWUVDMA-OKILXGFUSA-N 1 0 330.350 4.190 20 5 EIBDRO CCN(CC)C[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000520959580 1043451226 /nfs/dbraw/zinc/45/12/26/1043451226.db2.gz TXFXKQBLYFZXMQ-AWEZNQCLSA-N 1 0 347.484 4.143 20 5 EIBDRO COc1ccc(C[NH2+]C(C)(C)Cc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000520960085 1043461500 /nfs/dbraw/zinc/46/15/00/1043461500.db2.gz GVJTUCOCXYMXJN-UHFFFAOYSA-N 1 0 348.830 4.368 20 5 EIBDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000520978820 1043476974 /nfs/dbraw/zinc/47/69/74/1043476974.db2.gz JPGBJLQCIYIIAP-GFCCVEGCSA-N 1 0 338.329 4.334 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(OC2CCCC2)CC1 ZINC000255626846 1043675039 /nfs/dbraw/zinc/67/50/39/1043675039.db2.gz ZRFDZAHNERRDKC-ALCCZGGFSA-N 1 0 330.428 4.032 20 5 EIBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731206536 1043717165 /nfs/dbraw/zinc/71/71/65/1043717165.db2.gz KWCICDUYKZALLK-CYBMUJFWSA-N 1 0 348.472 4.271 20 5 EIBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000521347754 1043723815 /nfs/dbraw/zinc/72/38/15/1043723815.db2.gz HFHDOGZSCKHWEX-QGTPRVQTSA-N 1 0 332.444 4.156 20 5 EIBDRO CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2OC)c1cccc([N+](=O)[O-])c1 ZINC000161614629 1043766125 /nfs/dbraw/zinc/76/61/25/1043766125.db2.gz ODBJBPMAMZMHEH-QZTJIDSGSA-N 1 0 326.396 4.332 20 5 EIBDRO COc1ccc([C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C(C)C)cc1 ZINC000172591973 1043804625 /nfs/dbraw/zinc/80/46/25/1043804625.db2.gz CJBWSJKSTKSJMP-LJQANCHMSA-N 1 0 344.411 4.099 20 5 EIBDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000078991218 1043823219 /nfs/dbraw/zinc/82/32/19/1043823219.db2.gz QWOZSZKAIWGQBX-OLZOCXBDSA-N 1 0 330.384 4.024 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-n2ccnc2)cc1 ZINC000172855217 1043830839 /nfs/dbraw/zinc/83/08/39/1043830839.db2.gz FXDZFCBBFVHZQY-CABCVRRESA-N 1 0 336.395 4.192 20 5 EIBDRO CO[C@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000429237143 1043834794 /nfs/dbraw/zinc/83/47/94/1043834794.db2.gz KCCGQKDNOVAWSQ-QGZVFWFLSA-N 1 0 348.830 4.461 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000245559479 1043980980 /nfs/dbraw/zinc/98/09/80/1043980980.db2.gz UEYDFSQVQBXWJV-MPGHIAIKSA-N 1 0 325.412 4.052 20 5 EIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000732988598 1044062521 /nfs/dbraw/zinc/06/25/21/1044062521.db2.gz JJNOEBAHTWWQJB-GOSISDBHSA-N 1 0 348.349 4.089 20 5 EIBDRO CC(C)([NH2+]Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000080347279 1044157487 /nfs/dbraw/zinc/15/74/87/1044157487.db2.gz ITVQFJPZRNIRAQ-UHFFFAOYSA-N 1 0 349.228 4.382 20 5 EIBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000301920260 1044222198 /nfs/dbraw/zinc/22/21/98/1044222198.db2.gz XDESELQKHAOMBB-UKRRQHHQSA-N 1 0 335.448 4.057 20 5 EIBDRO CC[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000766127160 1044289157 /nfs/dbraw/zinc/28/91/57/1044289157.db2.gz ALUZQLGENFCALY-WBVHZDCISA-N 1 0 331.460 4.122 20 5 EIBDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001168766812 1044346822 /nfs/dbraw/zinc/34/68/22/1044346822.db2.gz VLEPSNAPIIXHCT-KRWDZBQOSA-N 1 0 334.366 4.230 20 5 EIBDRO O=[N+]([O-])c1cc(C[N@H+](CC2CC2)C2CCCCC2)c2c(c1)COCO2 ZINC000069079499 1044381224 /nfs/dbraw/zinc/38/12/24/1044381224.db2.gz KBPYZJZMJUOSIH-UHFFFAOYSA-N 1 0 346.427 4.006 20 5 EIBDRO O=[N+]([O-])c1sccc1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000142818423 1044490515 /nfs/dbraw/zinc/49/05/15/1044490515.db2.gz WESMGYFWNXUXGZ-GFCCVEGCSA-N 1 0 337.470 4.042 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc3ccccc3n2)c(Cl)c1 ZINC000543398963 1044521181 /nfs/dbraw/zinc/52/11/81/1044521181.db2.gz XPAHLEVFVWIKDF-UHFFFAOYSA-N 1 0 341.798 4.129 20 5 EIBDRO C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000543419367 1044561479 /nfs/dbraw/zinc/56/14/79/1044561479.db2.gz UQUSOGCQUHWHRQ-VXNCWWDNSA-N 1 0 346.471 4.101 20 5 EIBDRO COc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000327151517 1044714065 /nfs/dbraw/zinc/71/40/65/1044714065.db2.gz JMMQQFLXWCJGSJ-UHFFFAOYSA-N 1 0 336.391 4.089 20 5 EIBDRO CC[N+](C)(C)Cc1ccccc1N[C@H](c1ccccn1)C(F)(F)F ZINC001168479488 1044742607 /nfs/dbraw/zinc/74/26/07/1044742607.db2.gz NTFKUYVBGCILNC-QGZVFWFLSA-N 1 0 338.397 4.393 20 5 EIBDRO COC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000093337699 1044832161 /nfs/dbraw/zinc/83/21/61/1044832161.db2.gz BVRZPLXOAYIEAN-CQSZACIVSA-N 1 0 346.452 4.182 20 5 EIBDRO Cc1nc2c(s1)[C@@H]([N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-])CCC2 ZINC000093364893 1044833291 /nfs/dbraw/zinc/83/32/91/1044833291.db2.gz MZXOWNKYICRHEQ-JKNJVXJCSA-N 1 0 343.452 4.382 20 5 EIBDRO COc1cccc(CCC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000429262537 1044859169 /nfs/dbraw/zinc/85/91/69/1044859169.db2.gz GDOTXKPKXKQIKC-UHFFFAOYSA-N 1 0 328.412 4.061 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000248572778 1044866256 /nfs/dbraw/zinc/86/62/56/1044866256.db2.gz RQUAQXZDAPTBQN-IATRGZMQSA-N 1 0 344.415 4.120 20 5 EIBDRO O=[N+]([O-])c1cc2c(cc1NCCc1ccc3ccccc3c1)C[NH2+]C2 ZINC001168733016 1044901653 /nfs/dbraw/zinc/90/16/53/1044901653.db2.gz DWKXIPFAAOOPMA-UHFFFAOYSA-N 1 0 333.391 4.006 20 5 EIBDRO Cc1c(C[NH2+][C@@H](C)c2cnc3ccsc3c2)cccc1[N+](=O)[O-] ZINC000391098297 1044922952 /nfs/dbraw/zinc/92/29/52/1044922952.db2.gz SYPYURVVBAEIEI-LBPRGKRZSA-N 1 0 327.409 4.364 20 5 EIBDRO C[C@H]1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCS1 ZINC000922835064 1044980040 /nfs/dbraw/zinc/98/00/40/1044980040.db2.gz CIEFUUHBEQQLQV-AAEUAGOBSA-N 1 0 349.481 4.092 20 5 EIBDRO CC[C@@H]([NH2+][C@@H]1CCCC[C@@H]1n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000156002950 1044989874 /nfs/dbraw/zinc/98/98/74/1044989874.db2.gz YNOUAYRFFWZBIO-KURKYZTESA-N 1 0 328.416 4.016 20 5 EIBDRO Cc1nc(C)c([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000495420300 1045090386 /nfs/dbraw/zinc/09/03/86/1045090386.db2.gz GUDGARKYGRUAQP-VIFPVBQESA-N 1 0 339.848 4.215 20 5 EIBDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000186698455 1045140375 /nfs/dbraw/zinc/14/03/75/1045140375.db2.gz QFYQFVSIBOBEFV-SCLBCKFNSA-N 1 0 342.395 4.168 20 5 EIBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000302030220 1045155062 /nfs/dbraw/zinc/15/50/62/1045155062.db2.gz RTSFQQGJBDSYJE-CYBMUJFWSA-N 1 0 331.441 4.294 20 5 EIBDRO Cc1csc(CCCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)n1 ZINC000302208042 1045167479 /nfs/dbraw/zinc/16/74/79/1045167479.db2.gz XPZIVHIPWFVBLX-UHFFFAOYSA-N 1 0 342.424 4.261 20 5 EIBDRO Cc1cc(NCc2ccc(Cl)nc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302190914 1045167569 /nfs/dbraw/zinc/16/75/69/1045167569.db2.gz QUHFYYFDPWROAT-UHFFFAOYSA-N 1 0 328.759 4.112 20 5 EIBDRO CC1(C)C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCO1 ZINC000611272458 1045272435 /nfs/dbraw/zinc/27/24/35/1045272435.db2.gz SQLJTMKIVIOFJQ-UHFFFAOYSA-N 1 0 346.452 4.324 20 5 EIBDRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000611299884 1045277456 /nfs/dbraw/zinc/27/74/56/1045277456.db2.gz MSRZJMWUUZABDD-FRQCXROJSA-N 1 0 339.439 4.360 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000611335780 1045281957 /nfs/dbraw/zinc/28/19/57/1045281957.db2.gz JCHOKJFTKHBXMI-UXHICEINSA-N 1 0 340.423 4.340 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000611466089 1045312704 /nfs/dbraw/zinc/31/27/04/1045312704.db2.gz XGCADGLCIQNYGD-WFASDCNBSA-N 1 0 334.803 4.342 20 5 EIBDRO C[C@H]([NH2+]C1(CCOCc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000611477049 1045316201 /nfs/dbraw/zinc/31/62/01/1045316201.db2.gz SMHLLSYJGYTIML-INIZCTEOSA-N 1 0 340.423 4.385 20 5 EIBDRO C[C@H](C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000611519892 1045319609 /nfs/dbraw/zinc/31/96/09/1045319609.db2.gz XRHOSIDJZAKAKU-IIBYNOLFSA-N 1 0 347.418 4.473 20 5 EIBDRO CCC[N@H+](Cc1ccc(OC)cc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000611515254 1045321477 /nfs/dbraw/zinc/32/14/77/1045321477.db2.gz NJHALMKNXQMOMW-UHFFFAOYSA-N 1 0 344.411 4.024 20 5 EIBDRO COc1cc(C[NH2+]C(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000487989111 1045427608 /nfs/dbraw/zinc/42/76/08/1045427608.db2.gz CJSIFLHAPONENO-UHFFFAOYSA-N 1 0 348.402 4.483 20 5 EIBDRO Cc1cc(NC[C@H](c2cccs2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000301100742 1045506495 /nfs/dbraw/zinc/50/64/95/1045506495.db2.gz PAVCPQHKXDYTRX-MRXNPFEDSA-N 1 0 331.441 4.214 20 5 EIBDRO COCC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000272544485 1045508071 /nfs/dbraw/zinc/50/80/71/1045508071.db2.gz CKFRGZFIHQVYSY-GOEBONIOSA-N 1 0 332.400 4.233 20 5 EIBDRO Cc1ccccc1C[NH+]1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301102543 1045510063 /nfs/dbraw/zinc/51/00/63/1045510063.db2.gz OYXKNSFTZHPPQX-UHFFFAOYSA-N 1 0 343.402 4.119 20 5 EIBDRO Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000533579694 1045602918 /nfs/dbraw/zinc/60/29/18/1045602918.db2.gz DCTPSPYTEIOLPV-MAUKXSAKSA-N 1 0 328.412 4.040 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](SC)C1 ZINC000768100918 1045715300 /nfs/dbraw/zinc/71/53/00/1045715300.db2.gz AEAIDBWXAXWXEF-RDBSUJKOSA-N 1 0 340.514 4.339 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2cncc3ccccc32)C2CC2)c1 ZINC000768334044 1045791030 /nfs/dbraw/zinc/79/10/30/1045791030.db2.gz JRXVYOWZXCFBTP-UHFFFAOYSA-N 1 0 333.391 4.308 20 5 EIBDRO O=[N+]([O-])c1ccc(NC[C@H](c2cccs2)[NH+]2CCCC2)c(F)c1 ZINC000301107437 1045797204 /nfs/dbraw/zinc/79/72/04/1045797204.db2.gz WLYGJZVEYCVDIG-OAHLLOKOSA-N 1 0 335.404 4.044 20 5 EIBDRO COc1ccc([C@H](C)[N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000768543723 1045822901 /nfs/dbraw/zinc/82/29/01/1045822901.db2.gz FPBDTUXRQIPGPJ-LBPRGKRZSA-N 1 0 334.803 4.450 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC4(CCCC4)C3)cs2)c1 ZINC000769396066 1045968173 /nfs/dbraw/zinc/96/81/73/1045968173.db2.gz VMZVSXDYYWNFFI-UHFFFAOYSA-N 1 0 343.452 4.484 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)CCc2ccccc2)c([N+](=O)[O-])c1 ZINC001170293972 1045978102 /nfs/dbraw/zinc/97/81/02/1045978102.db2.gz NVWUYEKEPQDYDZ-HOTGVXAUSA-N 1 0 342.439 4.145 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-c3cc[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000326524566 1045980266 /nfs/dbraw/zinc/98/02/66/1045980266.db2.gz VGZSKFSOFJCWOO-CQSZACIVSA-N 1 0 336.395 4.144 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC001170294610 1045980280 /nfs/dbraw/zinc/98/02/80/1045980280.db2.gz BVBLYDIIABEUCG-IFXJQAMLSA-N 1 0 340.423 4.202 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](c2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC001170298959 1045983156 /nfs/dbraw/zinc/98/31/56/1045983156.db2.gz OPLLNJNYLOQQOY-VLIAUNLRSA-N 1 0 340.423 4.275 20 5 EIBDRO C[C@@H]1CCC[C@](CNc2ccc([N+](=O)[O-])c3cnccc23)([NH+](C)C)C1 ZINC000326532385 1045983312 /nfs/dbraw/zinc/98/33/12/1045983312.db2.gz WWRWPPZAULVEMG-KUHUBIRLSA-N 1 0 342.443 4.065 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001170296973 1045983255 /nfs/dbraw/zinc/98/32/55/1045983255.db2.gz IXBMCZJWNXXUSR-LSDHHAIUSA-N 1 0 328.412 4.194 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]C2(c3ccccc3)CCC2)c([N+](=O)[O-])c1 ZINC001170313062 1045993930 /nfs/dbraw/zinc/99/39/30/1045993930.db2.gz JXUPNBNMCJNJTF-OAHLLOKOSA-N 1 0 340.423 4.203 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2sccc2Cl)c([N+](=O)[O-])c1 ZINC001170318315 1045996260 /nfs/dbraw/zinc/99/62/60/1045996260.db2.gz OTIBEHDXSJEYAQ-SNVBAGLBSA-N 1 0 340.832 4.039 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]C(C)(C)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170317251 1045996965 /nfs/dbraw/zinc/99/69/65/1045996965.db2.gz DFNROUSYMUOTGE-ZDUSSCGKSA-N 1 0 346.402 4.198 20 5 EIBDRO CC[N@H+](Cc1ccc(F)cc1)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170353452 1046011276 /nfs/dbraw/zinc/01/12/76/1046011276.db2.gz YJIJSHSLAQIZEJ-CQSZACIVSA-N 1 0 346.402 4.196 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C[C@@H](O)c1cccs1 ZINC000763411137 1046139822 /nfs/dbraw/zinc/13/98/22/1046139822.db2.gz AUGUWRLNIUROCV-DVOMOZLQSA-N 1 0 334.441 4.128 20 5 EIBDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1c3ccccc3cc3ccccc31)CCO2 ZINC000793230976 1046177373 /nfs/dbraw/zinc/17/73/73/1046177373.db2.gz JADHVZCSERKNQR-GAJHUEQPSA-N 1 0 347.458 4.373 20 5 EIBDRO CCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](O)c1ccccc1 ZINC000793242137 1046188272 /nfs/dbraw/zinc/18/82/72/1046188272.db2.gz PDMBIQDZGQATEP-FUHWJXTLSA-N 1 0 348.830 4.240 20 5 EIBDRO CCC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000793243560 1046189378 /nfs/dbraw/zinc/18/93/78/1046189378.db2.gz SNSOPQUHZSIUPV-DMSRVCJBSA-N 1 0 340.423 4.100 20 5 EIBDRO CC[N@H+](CCC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1)CC1CC1 ZINC000771283585 1046357426 /nfs/dbraw/zinc/35/74/26/1046357426.db2.gz GTLFREDTRJLETB-UHFFFAOYSA-N 1 0 349.450 4.072 20 5 EIBDRO Clc1c2ccccc2c(C[NH2+]C[C@H]2COCCO2)c2ccccc12 ZINC000916840023 1046384844 /nfs/dbraw/zinc/38/48/44/1046384844.db2.gz WSERTDAJGVJPEV-AWEZNQCLSA-N 1 0 341.838 4.151 20 5 EIBDRO C[NH+]1C(C)(C)CC(Nc2ccnc3c2cccc3[N+](=O)[O-])CC1(C)C ZINC001170451464 1046501008 /nfs/dbraw/zinc/50/10/08/1046501008.db2.gz NLQYYEYZZOSINU-UHFFFAOYSA-N 1 0 342.443 4.206 20 5 EIBDRO C[NH+]1C(C)(C)CC(Nc2nccc3c2cccc3[N+](=O)[O-])CC1(C)C ZINC001170452563 1046525848 /nfs/dbraw/zinc/52/58/48/1046525848.db2.gz CSLYVKZDUWMVEV-UHFFFAOYSA-N 1 0 342.443 4.206 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3C[C@H]4CCCC[C@@H]4C3)cs2)c1 ZINC000536667823 1046615462 /nfs/dbraw/zinc/61/54/62/1046615462.db2.gz DZNQKYCRWCSVLP-HUUCEWRRSA-N 1 0 343.452 4.340 20 5 EIBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000536659978 1046626439 /nfs/dbraw/zinc/62/64/39/1046626439.db2.gz QNQDMKRBRJGWBH-NVXWUHKLSA-N 1 0 333.476 4.023 20 5 EIBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000536659979 1046627728 /nfs/dbraw/zinc/62/77/28/1046627728.db2.gz QNQDMKRBRJGWBH-RDJZCZTQSA-N 1 0 333.476 4.023 20 5 EIBDRO Cc1c(C[NH2+]CCc2ccc(OC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000917135639 1046765896 /nfs/dbraw/zinc/76/58/96/1046765896.db2.gz QYQFIFPCVYVXGW-UHFFFAOYSA-N 1 0 328.412 4.023 20 5 EIBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000459604171 1046805594 /nfs/dbraw/zinc/80/55/94/1046805594.db2.gz BLQSOHIQPXJCSY-AUUYWEPGSA-N 1 0 343.427 4.351 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCC3(CCCCC3)CC2)cc1 ZINC000786147109 1046812229 /nfs/dbraw/zinc/81/22/29/1046812229.db2.gz CKFYVJHYXWHFPT-GOSISDBHSA-N 1 0 332.444 4.111 20 5 EIBDRO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000536844949 1046818202 /nfs/dbraw/zinc/81/82/02/1046818202.db2.gz KMAQBTSVKJTTCH-GJZGRUSLSA-N 1 0 328.412 4.133 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459642406 1046831269 /nfs/dbraw/zinc/83/12/69/1046831269.db2.gz BPVFNXNTQSRGQR-DLBZAZTESA-N 1 0 341.455 4.312 20 5 EIBDRO C[C@@H](CCCc1cccnc1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000459644706 1046832586 /nfs/dbraw/zinc/83/25/86/1046832586.db2.gz FQOMFIWUXCZYQQ-BCTQVIJGSA-N 1 0 325.412 4.004 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000746655269 1046926200 /nfs/dbraw/zinc/92/62/00/1046926200.db2.gz NWURRAAMXFLRAW-UHFFFAOYSA-N 1 0 346.814 4.333 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000787406746 1047005921 /nfs/dbraw/zinc/00/59/21/1047005921.db2.gz KNMACVJWHNNKTP-JYRVWZFOSA-N 1 0 331.803 4.179 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc3c(c(Cl)c2)OCO3)cc1[N+](=O)[O-] ZINC000537178695 1047010028 /nfs/dbraw/zinc/01/00/28/1047010028.db2.gz WXXNVPPXCMDAIX-LLVKDONJSA-N 1 0 348.786 4.136 20 5 EIBDRO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000805835252 1047025993 /nfs/dbraw/zinc/02/59/93/1047025993.db2.gz LXKQMBOLCREOOX-MRXNPFEDSA-N 1 0 332.375 4.326 20 5 EIBDRO Cc1cccc([C@H]2CCC[N@@H+]2Cn2ncc3cc([N+](=O)[O-])ccc32)c1 ZINC000917617638 1047027919 /nfs/dbraw/zinc/02/79/19/1047027919.db2.gz NPWHYOALPLPFBX-GOSISDBHSA-N 1 0 336.395 4.048 20 5 EIBDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788003575 1047080431 /nfs/dbraw/zinc/08/04/31/1047080431.db2.gz DIMOFPQUSLJLMZ-KRWDZBQOSA-N 1 0 348.830 4.098 20 5 EIBDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000788479748 1047198323 /nfs/dbraw/zinc/19/83/23/1047198323.db2.gz AXPRSLOLBAPOMH-GOSISDBHSA-N 1 0 343.402 4.137 20 5 EIBDRO CC1(C)C[C@H]([NH2+]CCc2ccc(Cl)nc2)c2cc([N+](=O)[O-])ccc21 ZINC000788593242 1047242238 /nfs/dbraw/zinc/24/22/38/1047242238.db2.gz VBNLIANUHOOLSQ-INIZCTEOSA-N 1 0 345.830 4.198 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C(C)C)[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000788622036 1047251842 /nfs/dbraw/zinc/25/18/42/1047251842.db2.gz PCRLCTWOSOFHMX-CWFSZBLJSA-N 1 0 342.439 4.312 20 5 EIBDRO Cc1c2cc(F)ccc2oc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788640395 1047257369 /nfs/dbraw/zinc/25/73/69/1047257369.db2.gz AETPGNKMKTWPKH-NSHDSACASA-N 1 0 343.358 4.222 20 5 EIBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788671808 1047270107 /nfs/dbraw/zinc/27/01/07/1047270107.db2.gz NXVVAUVLWREAHY-SJCJKPOMSA-N 1 0 325.412 4.250 20 5 EIBDRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000788817559 1047315821 /nfs/dbraw/zinc/31/58/21/1047315821.db2.gz ZNLXAHUCVSYFID-BPUTZDHNSA-N 1 0 325.412 4.082 20 5 EIBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](O)c1ccccc1 ZINC000789779468 1047473873 /nfs/dbraw/zinc/47/38/73/1047473873.db2.gz PZHRCFXPUOZYER-ROUUACIJSA-N 1 0 348.830 4.096 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1cnn(CC2CCC2)c1 ZINC000898178349 1047574583 /nfs/dbraw/zinc/57/45/83/1047574583.db2.gz BCUATICCHPEYNT-GFCCVEGCSA-N 1 0 348.834 4.096 20 5 EIBDRO COc1ccc(C[NH2+]C[C@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000609287698 1047693361 /nfs/dbraw/zinc/69/33/61/1047693361.db2.gz UBBCETQUYWKBMF-KRWDZBQOSA-N 1 0 328.412 4.133 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000808451163 1047914043 /nfs/dbraw/zinc/91/40/43/1047914043.db2.gz IGYMMXFIRBPRCM-SJLPKXTDSA-N 1 0 346.814 4.258 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000824773348 1047926863 /nfs/dbraw/zinc/92/68/63/1047926863.db2.gz KEFKJKCLDWTTPN-RISCZKNCSA-N 1 0 331.243 4.089 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000824773168 1047927917 /nfs/dbraw/zinc/92/79/17/1047927917.db2.gz JVLMHBXEIBMQJZ-JBNJFFQFSA-N 1 0 329.227 4.172 20 5 EIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000919722059 1048031061 /nfs/dbraw/zinc/03/10/61/1048031061.db2.gz SJQAPVPXPQYGKD-NFAWXSAZSA-N 1 0 337.851 4.090 20 5 EIBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccnc1Cl ZINC000808728601 1048075875 /nfs/dbraw/zinc/07/58/75/1048075875.db2.gz QBMXVYWCXOFVEC-NSHDSACASA-N 1 0 344.802 4.018 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000556925059 1048218550 /nfs/dbraw/zinc/21/85/50/1048218550.db2.gz XVQLUZHJBCOROS-OCCSQVGLSA-N 1 0 342.361 4.238 20 5 EIBDRO CC[NH+](CC)[C@@H](CNc1cccc(F)c1[N+](=O)[O-])c1ccsc1 ZINC000919963779 1048344221 /nfs/dbraw/zinc/34/42/21/1048344221.db2.gz DRRHKGCCTPRYGL-HNNXBMFYSA-N 1 0 337.420 4.290 20 5 EIBDRO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809644004 1048449876 /nfs/dbraw/zinc/44/98/76/1048449876.db2.gz UOUAWFXNLZVXHB-INIZCTEOSA-N 1 0 348.830 4.021 20 5 EIBDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000809656070 1048455641 /nfs/dbraw/zinc/45/56/41/1048455641.db2.gz VOLPXIZXUVEOMM-KRWDZBQOSA-N 1 0 348.830 4.098 20 5 EIBDRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815575640 1048519512 /nfs/dbraw/zinc/51/95/12/1048519512.db2.gz WWMWBBFFTGRABO-DJJJIMSYSA-N 1 0 325.412 4.369 20 5 EIBDRO CCOc1ccccc1[C@H](CC)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815572697 1048537484 /nfs/dbraw/zinc/53/74/84/1048537484.db2.gz KVUOIUUFDMEUKQ-GUYCJALGSA-N 1 0 343.427 4.378 20 5 EIBDRO Cc1ccccc1C1([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000846174181 1048827520 /nfs/dbraw/zinc/82/75/20/1048827520.db2.gz LYVZDYOECUOUEW-CQSZACIVSA-N 1 0 325.412 4.215 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)cc1[N+](=O)[O-] ZINC000846186298 1048838219 /nfs/dbraw/zinc/83/82/19/1048838219.db2.gz WFYJIQALIWSYMN-KNXALSJPSA-N 1 0 344.814 4.349 20 5 EIBDRO COC1CCC(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000811483373 1049079607 /nfs/dbraw/zinc/07/96/07/1049079607.db2.gz IJUNVRGDKCOPER-UHFFFAOYSA-N 1 0 347.242 4.196 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCCCS1 ZINC000811488624 1049084475 /nfs/dbraw/zinc/08/44/75/1049084475.db2.gz GCPHWWZIZIVFES-LLVKDONJSA-N 1 0 335.256 4.277 20 5 EIBDRO CC(C)C[C@@H](CNc1cccnc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000609513153 1049124150 /nfs/dbraw/zinc/12/41/50/1049124150.db2.gz DVXIAYPCIIKHOK-WBVHZDCISA-N 1 0 342.443 4.167 20 5 EIBDRO COc1ccc(CCC[N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000609705323 1049275609 /nfs/dbraw/zinc/27/56/09/1049275609.db2.gz USJJYYAVPAXVKV-UHFFFAOYSA-N 1 0 348.830 4.321 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000609800732 1049326976 /nfs/dbraw/zinc/32/69/76/1049326976.db2.gz RFBZKFAYRVANDB-KDOFPFPSSA-N 1 0 328.437 4.446 20 5 EIBDRO Cc1c(C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000609916543 1049394129 /nfs/dbraw/zinc/39/41/29/1049394129.db2.gz WOKHAKDQRYAPKR-SUMWQHHRSA-N 1 0 328.387 4.420 20 5 EIBDRO COc1ccc(C[N@H+](C)[C@@H](C)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000609915923 1049395874 /nfs/dbraw/zinc/39/58/74/1049395874.db2.gz WVUCLVRSFIOAMT-ZDUSSCGKSA-N 1 0 348.830 4.320 20 5 EIBDRO COc1ccc(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000609916146 1049398211 /nfs/dbraw/zinc/39/82/11/1049398211.db2.gz AHUVLXNLCDYKHP-CZUORRHYSA-N 1 0 344.386 4.121 20 5 EIBDRO C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000348208024 1049493667 /nfs/dbraw/zinc/49/36/67/1049493667.db2.gz RBUTXOQNUQWDTA-SJCJKPOMSA-N 1 0 334.803 4.023 20 5 EIBDRO CCc1noc(C)c1[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000773021981 1049535954 /nfs/dbraw/zinc/53/59/54/1049535954.db2.gz ADRBLHMAFVWHIP-CYBMUJFWSA-N 1 0 331.416 4.127 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C)[C@@H](O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000773040876 1049549911 /nfs/dbraw/zinc/54/99/11/1049549911.db2.gz OVOFHOUSIHFIHT-ZNZDAUKMSA-N 1 0 346.402 4.287 20 5 EIBDRO CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812851312 1049612690 /nfs/dbraw/zinc/61/26/90/1049612690.db2.gz YCJOVMXPRVUHDU-ACJLOTCBSA-N 1 0 348.830 4.192 20 5 EIBDRO CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812851315 1049612836 /nfs/dbraw/zinc/61/28/36/1049612836.db2.gz YCJOVMXPRVUHDU-UGSOOPFHSA-N 1 0 348.830 4.192 20 5 EIBDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000036999556 1049653815 /nfs/dbraw/zinc/65/38/15/1049653815.db2.gz PJQMZTZULIYPDF-GFCCVEGCSA-N 1 0 349.228 4.078 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000067962409 1049669705 /nfs/dbraw/zinc/66/97/05/1049669705.db2.gz JUBZIBYMDPBRMJ-MGPUTAFESA-N 1 0 340.423 4.101 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC001171670383 1049773474 /nfs/dbraw/zinc/77/34/74/1049773474.db2.gz DNZMJQAFRRKAJV-KBPBESRZSA-N 1 0 328.387 4.457 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1 ZINC000813782900 1049815428 /nfs/dbraw/zinc/81/54/28/1049815428.db2.gz IGLNKMFKWLSLAG-RTWAWAEBSA-N 1 0 348.402 4.159 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@@H](c1ccnn1C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000615966781 1049823413 /nfs/dbraw/zinc/82/34/13/1049823413.db2.gz IGRMGJGCQVMLHH-QZTJIDSGSA-N 1 0 344.459 4.199 20 5 EIBDRO CCC[C@H]([NH2+]C[C@@H](c1ccnn1C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000615966779 1049823676 /nfs/dbraw/zinc/82/36/76/1049823676.db2.gz IGRMGJGCQVMLHH-MSOLQXFVSA-N 1 0 344.459 4.199 20 5 EIBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001171018509 1049852125 /nfs/dbraw/zinc/85/21/25/1049852125.db2.gz PXPINNOUMNDEAI-VQTJNVASSA-N 1 0 340.423 4.242 20 5 EIBDRO C[C@@H]1C[NH2+]C[C@H]1c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001212327003 1050061228 /nfs/dbraw/zinc/06/12/28/1050061228.db2.gz FVVDUMAHSAKCCI-BFUOFWGJSA-N 1 0 329.403 4.366 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1F ZINC001172898741 1050202806 /nfs/dbraw/zinc/20/28/06/1050202806.db2.gz IVQMMCNUZJICQE-XJKSGUPXSA-N 1 0 328.387 4.332 20 5 EIBDRO Cc1ccc(CC[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)s1 ZINC001172897601 1050203280 /nfs/dbraw/zinc/20/32/80/1050203280.db2.gz AZIVSSMMPTXFNL-INIZCTEOSA-N 1 0 330.453 4.044 20 5 EIBDRO Cn1c(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc2ccccc21 ZINC001172900002 1050203683 /nfs/dbraw/zinc/20/36/83/1050203683.db2.gz RCESSMRECCOCCL-SFHVURJKSA-N 1 0 349.434 4.124 20 5 EIBDRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900559 1050204711 /nfs/dbraw/zinc/20/47/11/1050204711.db2.gz VSXNOHFNGFHGGN-KUHUBIRLSA-N 1 0 342.414 4.202 20 5 EIBDRO CC(C)[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccn1 ZINC001172902435 1050205680 /nfs/dbraw/zinc/20/56/80/1050205680.db2.gz YLCHOLWVERBKSX-PXNSSMCTSA-N 1 0 339.439 4.224 20 5 EIBDRO CC(C)[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccncc1 ZINC001172908405 1050207982 /nfs/dbraw/zinc/20/79/82/1050207982.db2.gz MFIBSXQVLMDJNX-AZUAARDMSA-N 1 0 339.439 4.224 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CC(c3ccccc3)C1)CC2 ZINC001172912128 1050244929 /nfs/dbraw/zinc/24/49/29/1050244929.db2.gz MIYVYQWAYAUIDD-IOJLRTSASA-N 1 0 336.435 4.378 20 5 EIBDRO CCCOc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001177737225 1050287943 /nfs/dbraw/zinc/28/79/43/1050287943.db2.gz LCIYSDKJJDWHLM-UHFFFAOYSA-N 1 0 328.412 4.024 20 5 EIBDRO CC1CC[NH+](Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001186374338 1050314170 /nfs/dbraw/zinc/31/41/70/1050314170.db2.gz YKJOEBWLVNSBJU-UHFFFAOYSA-N 1 0 339.439 4.439 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cc(C)ccc2C)c1F ZINC001173177226 1050335045 /nfs/dbraw/zinc/33/50/45/1050335045.db2.gz RUUCBXKDSCVOJH-AWEZNQCLSA-N 1 0 346.402 4.080 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2C)c1F ZINC001173176012 1050335837 /nfs/dbraw/zinc/33/58/37/1050335837.db2.gz FNUCKMQUDZRIOA-IHRRRGAJSA-N 1 0 338.423 4.089 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2C3CCCC2CCC3)c1F ZINC001173191389 1050336877 /nfs/dbraw/zinc/33/68/77/1050336877.db2.gz DHSOHUFUWWRRIG-IYXRBSQSSA-N 1 0 336.407 4.081 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)CCC(C)C)c1F ZINC001173188549 1050338253 /nfs/dbraw/zinc/33/82/53/1050338253.db2.gz KUZJTHTZOHOOAN-STQMWFEESA-N 1 0 326.412 4.088 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](CC3CC3)c3ccccc3)nc2c1 ZINC000618302230 1050340427 /nfs/dbraw/zinc/34/04/27/1050340427.db2.gz ILEOHVNPENYVIK-QGZVFWFLSA-N 1 0 336.395 4.102 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccccc1Br ZINC001173215974 1050350947 /nfs/dbraw/zinc/35/09/47/1050350947.db2.gz GNFLAQVUVMTWQA-GFCCVEGCSA-N 1 0 349.228 4.078 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1c2ccccc2c2c1C[C@H]([NH3+])CC2 ZINC001173216557 1050351338 /nfs/dbraw/zinc/35/13/38/1050351338.db2.gz CWIBMRORITTYDE-GOEBONIOSA-N 1 0 349.434 4.169 20 5 EIBDRO Cc1ccccc1CC(C)(C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173224108 1050355330 /nfs/dbraw/zinc/35/53/30/1050355330.db2.gz LZJZDVULMXQOFA-MRXNPFEDSA-N 1 0 326.440 4.445 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(F)cc1Cl ZINC001173221206 1050355756 /nfs/dbraw/zinc/35/57/56/1050355756.db2.gz LMUTYEGBUODDSM-GFCCVEGCSA-N 1 0 336.794 4.151 20 5 EIBDRO CCO[C@H](CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)C1CCCC1 ZINC001177972719 1050356726 /nfs/dbraw/zinc/35/67/26/1050356726.db2.gz VJKBVUWBZUGRGW-LJQANCHMSA-N 1 0 334.460 4.287 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(Cc2cccc(F)c2)CC1 ZINC001173225573 1050357773 /nfs/dbraw/zinc/35/77/73/1050357773.db2.gz RYNACVIDCKBQME-OAHLLOKOSA-N 1 0 342.414 4.277 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001173231770 1050358908 /nfs/dbraw/zinc/35/89/08/1050358908.db2.gz CZQSFLRGAXKIFT-PBHICJAKSA-N 1 0 328.387 4.154 20 5 EIBDRO COc1cccc([C@H]2CC[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001173231933 1050359646 /nfs/dbraw/zinc/35/96/46/1050359646.db2.gz OZKWTDOOHDYGQX-QAPCUYQASA-N 1 0 340.423 4.024 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001173234119 1050363566 /nfs/dbraw/zinc/36/35/66/1050363566.db2.gz NAKVRFGJJHXGAM-ADLMAVQZSA-N 1 0 332.350 4.081 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(CC[NH3+])c1cccc2ccccc21 ZINC001173212319 1050370829 /nfs/dbraw/zinc/37/08/29/1050370829.db2.gz ZFRNXRSUXHPQKW-INIZCTEOSA-N 1 0 349.434 4.144 20 5 EIBDRO Cc1cccc2c(CC[NH3+])cn([C@H](C)Cc3ccc([N+](=O)[O-])cc3)c21 ZINC001173214205 1050374204 /nfs/dbraw/zinc/37/42/04/1050374204.db2.gz NBHRRTBICJECFA-OAHLLOKOSA-N 1 0 337.423 4.163 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1cccc([N+](=O)[O-])c1 ZINC001178203274 1050402522 /nfs/dbraw/zinc/40/25/22/1050402522.db2.gz CMSUJUXPLZWJLK-FZKQIMNGSA-N 1 0 326.396 4.159 20 5 EIBDRO C[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1F ZINC000181966646 1050406038 /nfs/dbraw/zinc/40/60/38/1050406038.db2.gz KPACGPQVSYVRDH-SECBINFHSA-N 1 0 326.730 4.377 20 5 EIBDRO Cc1cnc(S[C@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001186757303 1050407362 /nfs/dbraw/zinc/40/73/62/1050407362.db2.gz QIAYLQOOZOXTKA-INIZCTEOSA-N 1 0 343.452 4.055 20 5 EIBDRO CCOc1cccc(CC[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC001178232537 1050420175 /nfs/dbraw/zinc/42/01/75/1050420175.db2.gz RAXFBIBEVZSBGN-VBKFSLOCSA-N 1 0 340.423 4.229 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCOc1ccccc1Cl ZINC001178280813 1050425923 /nfs/dbraw/zinc/42/59/23/1050425923.db2.gz UZXZXNNUPCKMJW-UHFFFAOYSA-N 1 0 334.803 4.034 20 5 EIBDRO CC(C)C[N@H+](C)CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001186915756 1050446275 /nfs/dbraw/zinc/44/62/75/1050446275.db2.gz ZIPRVZWDZRHWFL-UHFFFAOYSA-N 1 0 333.354 4.003 20 5 EIBDRO Cc1nc(C(C)(C)NCc2ccc([N+](=O)[O-])cc2Cl)sc1C ZINC000182345222 1050618867 /nfs/dbraw/zinc/61/88/67/1050618867.db2.gz TVGQGKSWTVXIIV-UHFFFAOYSA-N 1 0 339.848 4.346 20 5 EIBDRO CO[C@@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001179248778 1050659671 /nfs/dbraw/zinc/65/96/71/1050659671.db2.gz WOSZUENIJBASPK-HVEPWOEZSA-N 1 0 332.444 4.183 20 5 EIBDRO CC(C)c1ccc(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC001179366095 1050685227 /nfs/dbraw/zinc/68/52/27/1050685227.db2.gz QQJDRPCPUNLSRR-SFHVURJKSA-N 1 0 334.460 4.403 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(O)ccc1Cl ZINC001179458037 1050701414 /nfs/dbraw/zinc/70/14/14/1050701414.db2.gz NVVVSMMBEKZGJF-GHXNOFRVSA-N 1 0 332.787 4.147 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H]1CCC(C)(C)CO1 ZINC001179686393 1050748398 /nfs/dbraw/zinc/74/83/98/1050748398.db2.gz XLKISJXTSMPHSF-HAZIXKIPSA-N 1 0 332.444 4.183 20 5 EIBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC001179666507 1050753227 /nfs/dbraw/zinc/75/32/27/1050753227.db2.gz SOYSBXVMBCTXEK-OAHLLOKOSA-N 1 0 334.460 4.402 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)C1CCCCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000182935466 1050910789 /nfs/dbraw/zinc/91/07/89/1050910789.db2.gz HCBHCGIUHNYNLD-CHWSQXEVSA-N 1 0 344.415 4.264 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2cc(F)ccc2C1 ZINC001180788266 1051078334 /nfs/dbraw/zinc/07/83/34/1051078334.db2.gz VKSURNCPNJTEQK-NTEUORMPSA-N 1 0 326.371 4.196 20 5 EIBDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001190417543 1051177957 /nfs/dbraw/zinc/17/79/57/1051177957.db2.gz KTRHBJTVKKEMCP-CYBMUJFWSA-N 1 0 334.803 4.320 20 5 EIBDRO CCC[N@H+](CC1CCCCC1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001190484870 1051188283 /nfs/dbraw/zinc/18/82/83/1051188283.db2.gz DJPHRCGUUYWXBN-HNNXBMFYSA-N 1 0 347.459 4.214 20 5 EIBDRO CC(C)c1ccc(O[C@@H](C)C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC001181601033 1051258232 /nfs/dbraw/zinc/25/82/32/1051258232.db2.gz ONKGPVTZDVUQLN-AWEZNQCLSA-N 1 0 346.402 4.414 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC001191156998 1051367657 /nfs/dbraw/zinc/36/76/57/1051367657.db2.gz PQSFKFDYWGRJAV-HZPDHXFCSA-N 1 0 340.423 4.290 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)cc1 ZINC001182109599 1051394059 /nfs/dbraw/zinc/39/40/59/1051394059.db2.gz PUIFHTMVNIWGID-GOSISDBHSA-N 1 0 332.350 4.083 20 5 EIBDRO CCC[C@@]1(C)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001191258256 1051395812 /nfs/dbraw/zinc/39/58/12/1051395812.db2.gz LRBHXUIIIZMSED-IBGZPJMESA-N 1 0 347.459 4.134 20 5 EIBDRO Cc1c(C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)cccc1[N+](=O)[O-] ZINC001182272340 1051452109 /nfs/dbraw/zinc/45/21/09/1051452109.db2.gz QRZULYACTOGUSS-IUODEOHRSA-N 1 0 334.778 4.341 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@H]2CC3(CO2)CCCCC3)C2CC2)c1 ZINC001191681515 1051506803 /nfs/dbraw/zinc/50/68/03/1051506803.db2.gz BSCWHYCMVIQPCV-LJQANCHMSA-N 1 0 344.455 4.299 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC001175312240 1051524033 /nfs/dbraw/zinc/52/40/33/1051524033.db2.gz IRLUEXGXCBGZFY-QZTJIDSGSA-N 1 0 326.396 4.029 20 5 EIBDRO CC(C)(C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])OCC1CC1 ZINC001182398411 1051530098 /nfs/dbraw/zinc/53/00/98/1051530098.db2.gz SYBPTXIGZSQSQM-FUHWJXTLSA-N 1 0 346.471 4.101 20 5 EIBDRO CC(C)[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000774408375 1051583102 /nfs/dbraw/zinc/58/31/02/1051583102.db2.gz INKHBKMJMVKXNM-ROUUACIJSA-N 1 0 348.830 4.269 20 5 EIBDRO CCc1ccc([C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000774411666 1051583588 /nfs/dbraw/zinc/58/35/88/1051583588.db2.gz QOVQMMMSAHVBSF-WOJBJXKFSA-N 1 0 342.439 4.178 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@]1(F)c1ccccc1 ZINC001182498760 1051619224 /nfs/dbraw/zinc/61/92/24/1051619224.db2.gz LKEUMSQPIPNGQZ-CCKFTAQKSA-N 1 0 328.387 4.143 20 5 EIBDRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])cc1F ZINC001192139699 1051648555 /nfs/dbraw/zinc/64/85/55/1051648555.db2.gz JRAFZICFMXQKJO-ZFWWWQNUSA-N 1 0 338.423 4.437 20 5 EIBDRO CC(C)Oc1ccc(-c2cccc([C@@H](C)[N@H+](C)CC[N+](=O)[O-])c2)cc1 ZINC001192197381 1051653799 /nfs/dbraw/zinc/65/37/99/1051653799.db2.gz GAYQBEBTBSFOCL-MRXNPFEDSA-N 1 0 342.439 4.410 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC001182633986 1051654706 /nfs/dbraw/zinc/65/47/06/1051654706.db2.gz HGBBIQFLFMVFJR-HVEPWOEZSA-N 1 0 330.428 4.032 20 5 EIBDRO CC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(C)c(F)c1 ZINC001192567624 1051761532 /nfs/dbraw/zinc/76/15/32/1051761532.db2.gz YODCZRQCBTVRSG-GOSISDBHSA-N 1 0 332.375 4.162 20 5 EIBDRO Cc1c(NC(=O)CC[N@H+]2CCCCC[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC001192653322 1051781602 /nfs/dbraw/zinc/78/16/02/1051781602.db2.gz MZPLYFXKHCDUCG-QGZVFWFLSA-N 1 0 347.459 4.132 20 5 EIBDRO CC[C@@H]([NH2+]CCCOc1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC001192814509 1051813651 /nfs/dbraw/zinc/81/36/51/1051813651.db2.gz NYZXKIDFXIPWDA-GOSISDBHSA-N 1 0 328.412 4.413 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001175965454 1051850912 /nfs/dbraw/zinc/85/09/12/1051850912.db2.gz ILRSADPGQUQCBC-KRWDZBQOSA-N 1 0 345.487 4.305 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCOCC1 ZINC000081197070 1051898188 /nfs/dbraw/zinc/89/81/88/1051898188.db2.gz ZFTIMTUEVCQMLS-SFHVURJKSA-N 1 0 344.411 4.150 20 5 EIBDRO COc1c(O)ccc(C[NH2+]C(C2CCCC2)C2CCCC2)c1[N+](=O)[O-] ZINC001183940561 1051921798 /nfs/dbraw/zinc/92/17/98/1051921798.db2.gz VRWVVALPYKGUSD-UHFFFAOYSA-N 1 0 348.443 4.148 20 5 EIBDRO C[C@@H](C[NH2+]Cc1cc2c(cccc2O)s1)c1ccccc1[N+](=O)[O-] ZINC001184045273 1051944987 /nfs/dbraw/zinc/94/49/87/1051944987.db2.gz LLCDMBMDBMGGDG-LBPRGKRZSA-N 1 0 342.420 4.408 20 5 EIBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000184483503 1052008656 /nfs/dbraw/zinc/00/86/56/1052008656.db2.gz KRYVAPSUIRNQIL-LBPRGKRZSA-N 1 0 349.456 4.078 20 5 EIBDRO CCC[NH+](CCC)CCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001184491564 1052013644 /nfs/dbraw/zinc/01/36/44/1052013644.db2.gz NQQVUIALBXSVRR-UHFFFAOYSA-N 1 0 330.432 4.067 20 5 EIBDRO Cc1ncc(Nc2cc3[nH+]c4cc(N)c(C)cc4cc3cc2C)cn1 ZINC001176397227 1052062551 /nfs/dbraw/zinc/06/25/51/1052062551.db2.gz BXGJVTQICXTQRF-UHFFFAOYSA-N 1 0 329.407 4.429 20 5 EIBDRO O=[N+]([O-])c1cc(C[N@H+](CCc2ccccc2)C2CC2)ccc1Cl ZINC001176414536 1052068089 /nfs/dbraw/zinc/06/80/89/1052068089.db2.gz YJDWEDJGCQIEKF-UHFFFAOYSA-N 1 0 330.815 4.455 20 5 EIBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC001194166101 1052093792 /nfs/dbraw/zinc/09/37/92/1052093792.db2.gz XBRRNKQCBGDCCW-HBYGRHMLSA-N 1 0 341.249 4.272 20 5 EIBDRO CCCCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001194194374 1052102590 /nfs/dbraw/zinc/10/25/90/1052102590.db2.gz ZQGYFMPEOIXDPX-JKSUJKDBSA-N 1 0 340.851 4.322 20 5 EIBDRO C[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001184839440 1052114265 /nfs/dbraw/zinc/11/42/65/1052114265.db2.gz IXXDHQLMLKPSLI-VXGBXAGGSA-N 1 0 345.365 4.146 20 5 EIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001185037852 1052159142 /nfs/dbraw/zinc/15/91/42/1052159142.db2.gz XMSQSYFEEQPQTM-CJNGLKHVSA-N 1 0 345.830 4.496 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCOCC1 ZINC000072744623 1052585632 /nfs/dbraw/zinc/58/56/32/1052585632.db2.gz OBVSVWDFMFYWKF-QGZVFWFLSA-N 1 0 344.411 4.150 20 5 EIBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 ZINC000112515511 1053027118 /nfs/dbraw/zinc/02/71/18/1053027118.db2.gz XGDIUQWUUWUQEQ-VBKZILBWSA-N 1 0 336.391 4.132 20 5 EIBDRO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001194807732 1053107662 /nfs/dbraw/zinc/10/76/62/1053107662.db2.gz SYHXDVPNABPRAG-GJZGRUSLSA-N 1 0 347.459 4.070 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3COC4(CCC4)C3)s2)cc1 ZINC000850367291 1053138638 /nfs/dbraw/zinc/13/86/38/1053138638.db2.gz CHRTWLUIMPNJQH-AWEZNQCLSA-N 1 0 344.436 4.125 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)c1 ZINC000850385367 1053158875 /nfs/dbraw/zinc/15/88/75/1053158875.db2.gz FMMBSNSYYDOGLG-FZKQIMNGSA-N 1 0 345.830 4.144 20 5 EIBDRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001194953615 1053197362 /nfs/dbraw/zinc/19/73/62/1053197362.db2.gz QJFHXWBJZIIOKN-UGSOOPFHSA-N 1 0 329.400 4.308 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000850449938 1053224581 /nfs/dbraw/zinc/22/45/81/1053224581.db2.gz ZHTXGHUCVRLIAL-KBPBESRZSA-N 1 0 326.396 4.332 20 5 EIBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC001195022852 1053230849 /nfs/dbraw/zinc/23/08/49/1053230849.db2.gz OSSXOIYDHYKVFU-ROUUACIJSA-N 1 0 340.423 4.242 20 5 EIBDRO COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC001195083672 1053264008 /nfs/dbraw/zinc/26/40/08/1053264008.db2.gz FGKMGDYKXCARID-IYARVYRRSA-N 1 0 340.423 4.290 20 5 EIBDRO CCC[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000850529175 1053292429 /nfs/dbraw/zinc/29/24/29/1053292429.db2.gz NVMXSJHFCBWXEH-FHWLQOOXSA-N 1 0 326.396 4.204 20 5 EIBDRO CCC[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000850529177 1053295838 /nfs/dbraw/zinc/29/58/38/1053295838.db2.gz NVMXSJHFCBWXEH-IPMKNSEASA-N 1 0 326.396 4.204 20 5 EIBDRO COc1cc(C[N@H+](C)[C@@H]2CCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])cc1F ZINC001195279894 1053358864 /nfs/dbraw/zinc/35/88/64/1053358864.db2.gz PNCQHIXZSQNDTQ-DZGCQCFKSA-N 1 0 338.423 4.389 20 5 EIBDRO CC[C@H](c1ccccc1)[N@H+](CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580274 1053563411 /nfs/dbraw/zinc/56/34/11/1053563411.db2.gz RWGKIXYCYSAHIX-RTBURBONSA-N 1 0 328.412 4.101 20 5 EIBDRO CC[C@@H](c1ccccc1)[N@H+](CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580273 1053563527 /nfs/dbraw/zinc/56/35/27/1053563527.db2.gz RWGKIXYCYSAHIX-RBUKOAKNSA-N 1 0 328.412 4.101 20 5 EIBDRO CC(C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000765473806 1053564789 /nfs/dbraw/zinc/56/47/89/1053564789.db2.gz JJZFKHYSJWOZRT-ZIAGYGMSSA-N 1 0 348.468 4.381 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1cccc(OC)c1OC ZINC000865759623 1053585219 /nfs/dbraw/zinc/58/52/19/1053585219.db2.gz XXZSROLELYTYIX-INIZCTEOSA-N 1 0 344.411 4.161 20 5 EIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)ccc1Cl ZINC000852595546 1053593875 /nfs/dbraw/zinc/59/38/75/1053593875.db2.gz IGDIZJNUDQEIIM-PBHICJAKSA-N 1 0 338.835 4.029 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000852594171 1053594207 /nfs/dbraw/zinc/59/42/07/1053594207.db2.gz AGQZIPXNMOTSDV-CXAGYDPISA-N 1 0 338.835 4.029 20 5 EIBDRO COCCCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102425625 1053650199 /nfs/dbraw/zinc/65/01/99/1053650199.db2.gz RJTBSZWDUYRFEW-UHFFFAOYSA-N 1 0 334.441 4.230 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC001196505717 1053686854 /nfs/dbraw/zinc/68/68/54/1053686854.db2.gz FRAZSLIGWCYGGP-APWZRJJASA-N 1 0 339.439 4.175 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccsc1C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866405666 1053717174 /nfs/dbraw/zinc/71/71/74/1053717174.db2.gz HIKRQSNEGKWLKS-MRVPVSSYSA-N 1 0 345.346 4.108 20 5 EIBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000866622384 1053809742 /nfs/dbraw/zinc/80/97/42/1053809742.db2.gz MFCLYGBXCAHLNS-VXGBXAGGSA-N 1 0 343.358 4.157 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@](F)(c3ccccc3)C2)cc1 ZINC001197076391 1053832711 /nfs/dbraw/zinc/83/27/11/1053832711.db2.gz CYIODXOSBHAGSA-LJQANCHMSA-N 1 0 328.387 4.098 20 5 EIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000301324614 1053860995 /nfs/dbraw/zinc/86/09/95/1053860995.db2.gz XVCDRUYNCAQLFD-HNNXBMFYSA-N 1 0 325.412 4.232 20 5 EIBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000301427590 1053926195 /nfs/dbraw/zinc/92/61/95/1053926195.db2.gz PLKQTCYXFUCXKV-YVEFUNNKSA-N 1 0 349.431 4.290 20 5 EIBDRO CC[C@H](OCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC001197506167 1053929242 /nfs/dbraw/zinc/92/92/42/1053929242.db2.gz FOJHRGCLFQKHDL-KXBFYZLASA-N 1 0 328.412 4.413 20 5 EIBDRO CC(C)[C@H](Cc1ccccc1)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC001197771164 1053993190 /nfs/dbraw/zinc/99/31/90/1053993190.db2.gz XYCBTRHSTBVZIV-FQEVSTJZSA-N 1 0 342.439 4.221 20 5 EIBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000301428397 1054025626 /nfs/dbraw/zinc/02/56/26/1054025626.db2.gz PSGMHJWUWKUZMX-DYVFJYSZSA-N 1 0 331.441 4.151 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC001198271602 1054120470 /nfs/dbraw/zinc/12/04/70/1054120470.db2.gz XFYSQXINYZDZFB-LPADLIQXSA-N 1 0 338.407 4.281 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000857081938 1054174047 /nfs/dbraw/zinc/17/40/47/1054174047.db2.gz KHLYXEDLFNXZIX-PWSUYJOCSA-N 1 0 347.242 4.228 20 5 EIBDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC001198605171 1054203393 /nfs/dbraw/zinc/20/33/93/1054203393.db2.gz XVMONWBAXMGWFV-SFHVURJKSA-N 1 0 340.423 4.206 20 5 EIBDRO C[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000173362844 1054217589 /nfs/dbraw/zinc/21/75/89/1054217589.db2.gz NSKVKFPZFSLGMW-JVPBZIDWSA-N 1 0 326.396 4.166 20 5 EIBDRO CC[C@@H](C[N@H+](CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000775895279 1054279194 /nfs/dbraw/zinc/27/91/94/1054279194.db2.gz KZCBEYIBUICLPJ-OXJNMPFZSA-N 1 0 342.439 4.144 20 5 EIBDRO C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872023314 1054338778 /nfs/dbraw/zinc/33/87/78/1054338778.db2.gz FQSMOONLTQURGH-CQSZACIVSA-N 1 0 343.402 4.054 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000872048118 1054362381 /nfs/dbraw/zinc/36/23/81/1054362381.db2.gz XQCGEYLJAGUHKE-LLVKDONJSA-N 1 0 347.396 4.076 20 5 EIBDRO CCOCCC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872053419 1054364477 /nfs/dbraw/zinc/36/44/77/1054364477.db2.gz UURMOPNEYWJMHS-CYBMUJFWSA-N 1 0 338.473 4.174 20 5 EIBDRO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872060564 1054370666 /nfs/dbraw/zinc/37/06/66/1054370666.db2.gz RAVAHPHTKNTQMY-SOUVJXGZSA-N 1 0 349.450 4.038 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)c1ccccn1 ZINC000872085644 1054382891 /nfs/dbraw/zinc/38/28/91/1054382891.db2.gz QDXJMNWAHHLENG-CHWSQXEVSA-N 1 0 331.441 4.166 20 5 EIBDRO C[C@@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872093843 1054387892 /nfs/dbraw/zinc/38/78/92/1054387892.db2.gz XJZIZMYWBMJRCI-CZUORRHYSA-N 1 0 336.407 4.124 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)nc1 ZINC000872129874 1054403812 /nfs/dbraw/zinc/40/38/12/1054403812.db2.gz FUYWXEFXDZBBSE-GHMZBOCLSA-N 1 0 339.317 4.420 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)c1ccccc1[N+](=O)[O-] ZINC000872129503 1054404754 /nfs/dbraw/zinc/40/47/54/1054404754.db2.gz FAGORJILQWHWAL-INMHGKMJSA-N 1 0 325.412 4.367 20 5 EIBDRO Cc1c(C[NH2+][C@@H](c2nc3ccccc3[nH]2)C(C)C)cccc1[N+](=O)[O-] ZINC000873011783 1054476990 /nfs/dbraw/zinc/47/69/90/1054476990.db2.gz GCIMNPAEANLWOQ-GOSISDBHSA-N 1 0 338.411 4.266 20 5 EIBDRO Cc1c(C[NH2+][C@H](c2ccc(F)cc2)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000873028621 1054479337 /nfs/dbraw/zinc/47/93/37/1054479337.db2.gz OHJFWVVYYNKMFB-RTBURBONSA-N 1 0 344.386 4.052 20 5 EIBDRO Cc1c(C[NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000873022583 1054479667 /nfs/dbraw/zinc/47/96/67/1054479667.db2.gz OTSXULYDEDMVNZ-AZUAARDMSA-N 1 0 340.423 4.161 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccns1 ZINC000858578856 1054525160 /nfs/dbraw/zinc/52/51/60/1054525160.db2.gz XWMOWRQZKCIMQR-NWDGAFQWSA-N 1 0 337.470 4.273 20 5 EIBDRO COc1cc(F)c([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000173416701 1054895819 /nfs/dbraw/zinc/89/58/19/1054895819.db2.gz HUYYMZJCGIKCPN-NEPJUHHUSA-N 1 0 348.374 4.163 20 5 EIBDRO CC(C)[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(Cl)cc1 ZINC000876908017 1054980600 /nfs/dbraw/zinc/98/06/00/1054980600.db2.gz GKDGZQOLSIFTAW-DQPZFDDXSA-N 1 0 348.834 4.135 20 5 EIBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](c3ccccc3)C3CCCC3)C2)c1 ZINC000876976879 1054991467 /nfs/dbraw/zinc/99/14/67/1054991467.db2.gz SHGOVEXCMFDIRK-TVPLGVNVSA-N 1 0 340.427 4.016 20 5 EIBDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000877086976 1055016257 /nfs/dbraw/zinc/01/62/57/1055016257.db2.gz DANYLLJQEUERDS-XFNZEKPQSA-N 1 0 348.767 4.061 20 5 EIBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccccc1CC(F)(F)F ZINC001202229051 1055078095 /nfs/dbraw/zinc/07/80/95/1055078095.db2.gz YVYFDYJUXAAELN-UHFFFAOYSA-N 1 0 338.329 4.032 20 5 EIBDRO CCC(CC)(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(F)(F)F ZINC000877707890 1055109840 /nfs/dbraw/zinc/10/98/40/1055109840.db2.gz NWSBUSIQBFLADW-UHFFFAOYSA-N 1 0 345.321 4.194 20 5 EIBDRO CCCCC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC000877955887 1055162260 /nfs/dbraw/zinc/16/22/60/1055162260.db2.gz GFCVBEKGEYLXLJ-UHFFFAOYSA-N 1 0 332.404 4.045 20 5 EIBDRO CCC1CCC([N@H+](C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878165394 1055197676 /nfs/dbraw/zinc/19/76/76/1055197676.db2.gz XZYNXIBHZNYGEV-UHFFFAOYSA-N 1 0 344.415 4.045 20 5 EIBDRO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878199566 1055204273 /nfs/dbraw/zinc/20/42/73/1055204273.db2.gz CUMLDSJUGZFWJI-AWEZNQCLSA-N 1 0 344.415 4.045 20 5 EIBDRO C[N@@H+]1CCC[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301452234 1055219076 /nfs/dbraw/zinc/21/90/76/1055219076.db2.gz XSKIKSHZIURAJH-SJCJKPOMSA-N 1 0 349.431 4.290 20 5 EIBDRO C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000326784562 1055519572 /nfs/dbraw/zinc/51/95/72/1055519572.db2.gz VLOMTXCGWPJHDY-JXFKEZNVSA-N 1 0 339.439 4.083 20 5 EIBDRO CCC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOCC1 ZINC000553518387 1055547610 /nfs/dbraw/zinc/54/76/10/1055547610.db2.gz ZJOIGCNYMPHNKG-UHFFFAOYSA-N 1 0 344.411 4.151 20 5 EIBDRO Cc1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301476219 1055577567 /nfs/dbraw/zinc/57/75/67/1055577567.db2.gz OJSVWTHSLBZLFM-AWEZNQCLSA-N 1 0 337.851 4.011 20 5 EIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC000301588416 1055743896 /nfs/dbraw/zinc/74/38/96/1055743896.db2.gz PUUBGFJKUXNFAZ-PBHICJAKSA-N 1 0 343.402 4.056 20 5 EIBDRO Cc1ccc([C@H]2OCCC[C@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000542704997 1055849256 /nfs/dbraw/zinc/84/92/56/1055849256.db2.gz JVOGSEWCPXXUJD-WOJBJXKFSA-N 1 0 340.423 4.222 20 5 EIBDRO CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000765846241 1055852925 /nfs/dbraw/zinc/85/29/25/1055852925.db2.gz WUIWYRQXCGWCNE-AUUYWEPGSA-N 1 0 328.412 4.102 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000273471290 1055858417 /nfs/dbraw/zinc/85/84/17/1055858417.db2.gz SAHPEHXRWFOTGV-IXDGSTSKSA-N 1 0 344.386 4.305 20 5 EIBDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765847977 1055874952 /nfs/dbraw/zinc/87/49/52/1055874952.db2.gz DFUGFTMDLJNWEI-PMACEKPBSA-N 1 0 342.439 4.314 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000327022433 1055945331 /nfs/dbraw/zinc/94/53/31/1055945331.db2.gz DTGFUDKEHULOQP-LJQANCHMSA-N 1 0 335.407 4.286 20 5 EIBDRO CCOC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000091676720 1056608448 /nfs/dbraw/zinc/60/84/48/1056608448.db2.gz HOIHCDYQZSKKAX-UHFFFAOYSA-N 1 0 346.452 4.324 20 5 EIBDRO CCC(CC)C[N@H+](CC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000153879618 1056689288 /nfs/dbraw/zinc/68/92/88/1056689288.db2.gz KNTUYWHPCUMPQV-ZDUSSCGKSA-N 1 0 346.431 4.464 20 5 EIBDRO CCC(C)(C)C1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000742369696 1058597204 /nfs/dbraw/zinc/59/72/04/1058597204.db2.gz DRRBHXHEXDMIHC-HTWSVDAQSA-N 1 0 334.460 4.213 20 5 EIBDRO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000742374260 1058603142 /nfs/dbraw/zinc/60/31/42/1058603142.db2.gz UDXQQHGLBBEEDX-ROUUACIJSA-N 1 0 328.387 4.468 20 5 EIBDRO C[N@H+](CCc1cccs1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000743382336 1058963222 /nfs/dbraw/zinc/96/32/22/1058963222.db2.gz PCYXFVZLTMHDEK-UHFFFAOYSA-N 1 0 349.437 4.065 20 5 EIBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000743463866 1059018807 /nfs/dbraw/zinc/01/88/07/1059018807.db2.gz YADKRPHFFCCZDY-IRXDYDNUSA-N 1 0 334.803 4.023 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCc2nc3ccccc3s2)c1 ZINC000746404624 1060287586 /nfs/dbraw/zinc/28/75/86/1060287586.db2.gz MLMYNZPCMYORSS-UHFFFAOYSA-N 1 0 347.827 4.190 20 5 EIBDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001168967986 1060562686 /nfs/dbraw/zinc/56/26/86/1060562686.db2.gz CNYGAIQBSMRECL-FQEVSTJZSA-N 1 0 340.423 4.071 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2c(Cl)ccc(Cl)c2Cl)C1 ZINC001168986989 1060580479 /nfs/dbraw/zinc/58/04/79/1060580479.db2.gz GWBRXWHJPLLSJS-RKDXNWHRSA-N 1 0 337.634 4.182 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2Cl)C1 ZINC001168988362 1060584014 /nfs/dbraw/zinc/58/40/14/1060584014.db2.gz RGWPNHUVHNHZQF-GZMMTYOYSA-N 1 0 337.634 4.182 20 5 EIBDRO CC[N@H+](Cc1ccc(Cl)cc1Cl)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169044844 1060599166 /nfs/dbraw/zinc/59/91/66/1060599166.db2.gz JCJIIPKWIZCECD-BXUZGUMPSA-N 1 0 331.243 4.261 20 5 EIBDRO Cc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046343 1060603243 /nfs/dbraw/zinc/60/32/43/1060603243.db2.gz KVMJBFIQLQNIHT-NVXWUHKLSA-N 1 0 341.455 4.035 20 5 EIBDRO CC1(C)C[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@](C)(C[NH3+])C1 ZINC001169136049 1060653218 /nfs/dbraw/zinc/65/32/18/1060653218.db2.gz FDFOITDBYQCLFY-AUUYWEPGSA-N 1 0 342.443 4.099 20 5 EIBDRO CC1(C)C[C@H](Nc2cc3cccnc3c([N+](=O)[O-])c2)C[C@@](C)(C[NH3+])C1 ZINC001169153793 1060671304 /nfs/dbraw/zinc/67/13/04/1060671304.db2.gz UJLAMMZQFROZKY-HNAYVOBHSA-N 1 0 342.443 4.099 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000532215501 1032098340 /nfs/dbraw/zinc/09/83/40/1032098340.db2.gz ASAMIXZBWKHTBR-GFCCVEGCSA-N 1 0 334.803 4.150 20 5 EIBDRO COc1cccc(C2(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000520462944 1032155798 /nfs/dbraw/zinc/15/57/98/1032155798.db2.gz IPVXNGWLASZOSE-HNNXBMFYSA-N 1 0 340.423 4.294 20 5 EIBDRO COc1cc(C[NH2+][C@H](C)c2cc3cccc(F)c3o2)ccc1[N+](=O)[O-] ZINC000475694134 1032162956 /nfs/dbraw/zinc/16/29/56/1032162956.db2.gz GDCHBUGCLYPOBD-LLVKDONJSA-N 1 0 344.342 4.340 20 5 EIBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC001168144169 1032210318 /nfs/dbraw/zinc/21/03/18/1032210318.db2.gz BYJPRQZWGTYQCZ-JXOMPUQVSA-N 1 0 337.423 4.448 20 5 EIBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cc2cccc(F)c2o1 ZINC000475706887 1032377642 /nfs/dbraw/zinc/37/76/42/1032377642.db2.gz BBBSOBQSBGIKFG-GFCCVEGCSA-N 1 0 344.342 4.210 20 5 EIBDRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000532963254 1032414003 /nfs/dbraw/zinc/41/40/03/1032414003.db2.gz BKXFERBNNMMWJQ-CHWSQXEVSA-N 1 0 344.415 4.044 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CC)c2ccncc2)cc1[N+](=O)[O-] ZINC000153965332 1019071386 /nfs/dbraw/zinc/07/13/86/1019071386.db2.gz VKCNXMBTPPKQMI-BBRMVZONSA-N 1 0 329.400 4.190 20 5 EIBDRO CCc1ccc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000430202154 1019263464 /nfs/dbraw/zinc/26/34/64/1019263464.db2.gz LNFLPAYEGQBADW-UHFFFAOYSA-N 1 0 328.412 4.191 20 5 EIBDRO CC(C)([NH2+]Cc1cccc2c1OC(C)(C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000236764108 1032829737 /nfs/dbraw/zinc/82/97/37/1032829737.db2.gz GPPPVHKPGXHEFT-UHFFFAOYSA-N 1 0 340.423 4.333 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000430225546 1019490368 /nfs/dbraw/zinc/49/03/68/1019490368.db2.gz YIKXZRBHHFZBLN-GOSISDBHSA-N 1 0 328.412 4.480 20 5 EIBDRO COc1ccc2cc(C[N@H+](C)Cc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000015370296 1032838929 /nfs/dbraw/zinc/83/89/29/1032838929.db2.gz CKBLLPUZLVDMTD-UHFFFAOYSA-N 1 0 336.391 4.389 20 5 EIBDRO Cc1ccccc1OCCC[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001167083193 1019717455 /nfs/dbraw/zinc/71/74/55/1019717455.db2.gz BQHGSLLBJZNYPQ-UHFFFAOYSA-N 1 0 348.830 4.458 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H]3c3ccccc3)o2)c1 ZINC000471188475 1019736173 /nfs/dbraw/zinc/73/61/73/1019736173.db2.gz WEJAXFFJGHBKMN-SFHVURJKSA-N 1 0 349.390 4.239 20 5 EIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCCCC(F)(F)F)CC2)cc1 ZINC000154685554 1019954507 /nfs/dbraw/zinc/95/45/07/1019954507.db2.gz OQFLKNYFYYJPJY-UHFFFAOYSA-N 1 0 346.349 4.171 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000247034694 1020381388 /nfs/dbraw/zinc/38/13/88/1020381388.db2.gz LLRCUUJUHRWZJE-YJLNNSPDSA-N 1 0 326.396 4.084 20 5 EIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Br)[C@H](C)C(C)C ZINC001167240829 1020648438 /nfs/dbraw/zinc/64/84/38/1020648438.db2.gz LHIBGTZAKPACNN-LLVKDONJSA-N 1 0 329.238 4.224 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2(CCO)CCCC2)s1 ZINC000512496112 1032929273 /nfs/dbraw/zinc/92/92/73/1032929273.db2.gz HNFSNDZEIRTLOD-UHFFFAOYSA-N 1 0 346.452 4.108 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000177229880 1020960575 /nfs/dbraw/zinc/96/05/75/1020960575.db2.gz QHBCBQHZCIKICO-CABCVRRESA-N 1 0 336.395 4.192 20 5 EIBDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083168913 1021021471 /nfs/dbraw/zinc/02/14/71/1021021471.db2.gz VWEGWJMNKSTQIM-KRWDZBQOSA-N 1 0 337.379 4.382 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000580328465 1021772416 /nfs/dbraw/zinc/77/24/16/1021772416.db2.gz VIWZQGBSSJPYPB-RHSMWYFYSA-N 1 0 330.428 4.054 20 5 EIBDRO C[C@H](NCC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000379624338 1021845751 /nfs/dbraw/zinc/84/57/51/1021845751.db2.gz JNFDVRMFDKRYKF-IRXDYDNUSA-N 1 0 341.455 4.156 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCC[C@@H](F)C3)cs2)c1 ZINC000581488764 1021855296 /nfs/dbraw/zinc/85/52/96/1021855296.db2.gz XOFJFOVEUHPPKI-OLZOCXBDSA-N 1 0 335.404 4.089 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCC(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000414178433 1022037076 /nfs/dbraw/zinc/03/70/76/1022037076.db2.gz JUNIWQIBNPRBAW-LKSINWNRSA-N 1 0 342.386 4.468 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nccs1 ZINC000414209166 1022149172 /nfs/dbraw/zinc/14/91/72/1022149172.db2.gz KDJZUTXHAHKRFY-NWDGAFQWSA-N 1 0 337.470 4.273 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnccc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000414233649 1022240594 /nfs/dbraw/zinc/24/05/94/1022240594.db2.gz RNNFOQKCXCACLH-AWEZNQCLSA-N 1 0 327.428 4.447 20 5 EIBDRO C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CS1 ZINC000414236070 1022248237 /nfs/dbraw/zinc/24/82/37/1022248237.db2.gz VHSJQFYWDLAKFT-QBIMZIAESA-N 1 0 328.437 4.168 20 5 EIBDRO COc1ccsc1[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000471599533 1022283995 /nfs/dbraw/zinc/28/39/95/1022283995.db2.gz TYHIBXTYCXCSTG-CYBMUJFWSA-N 1 0 334.441 4.338 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)OCCc3sccc32)cc1[N+](=O)[O-] ZINC000580606026 1022302517 /nfs/dbraw/zinc/30/25/17/1022302517.db2.gz PAONOGTVBAXMLR-FZKQIMNGSA-N 1 0 346.452 4.103 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]CCCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000180223553 1022330724 /nfs/dbraw/zinc/33/07/24/1022330724.db2.gz GJCHSACPIKUHTD-AWEZNQCLSA-N 1 0 336.432 4.066 20 5 EIBDRO C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC(F)(F)F ZINC000414287780 1022403472 /nfs/dbraw/zinc/40/34/72/1022403472.db2.gz UPOKSDKWHQCOGR-FZMZJTMJSA-N 1 0 330.350 4.094 20 5 EIBDRO COc1ccc([C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000120194520 1022456722 /nfs/dbraw/zinc/45/67/22/1022456722.db2.gz FKXHFIPGLJEIGH-DJJJIMSYSA-N 1 0 326.396 4.405 20 5 EIBDRO COCC1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000414301770 1022456864 /nfs/dbraw/zinc/45/68/64/1022456864.db2.gz BVIZHVVKWUVWBH-JGJLBUBWSA-N 1 0 346.471 4.101 20 5 EIBDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000110243903 1022465396 /nfs/dbraw/zinc/46/53/96/1022465396.db2.gz PNGKHJYTNXNCFT-IRXDYDNUSA-N 1 0 348.443 4.156 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)c2cccnc2)cc1[N+](=O)[O-] ZINC000414334841 1022595883 /nfs/dbraw/zinc/59/58/83/1022595883.db2.gz NTKUFBKUHLOLME-CQSZACIVSA-N 1 0 343.427 4.017 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000090657872 1022705497 /nfs/dbraw/zinc/70/54/97/1022705497.db2.gz SAUZFVUQBWTZAS-BEFAXECRSA-N 1 0 342.439 4.048 20 5 EIBDRO C[NH+](C)[C@@H](CNc1ccsc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000610468861 1022724158 /nfs/dbraw/zinc/72/41/58/1022724158.db2.gz NYFNLTFVDVCNAD-ZDUSSCGKSA-N 1 0 325.821 4.025 20 5 EIBDRO CC[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000378392402 1022798039 /nfs/dbraw/zinc/79/80/39/1022798039.db2.gz FXDXAFMMKSSXCU-IHPCNDPISA-N 1 0 340.423 4.413 20 5 EIBDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581143538 1022856432 /nfs/dbraw/zinc/85/64/32/1022856432.db2.gz WRSLHJMLPINFMH-IAGOWNOFSA-N 1 0 342.370 4.007 20 5 EIBDRO COC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000290209526 1022921451 /nfs/dbraw/zinc/92/14/51/1022921451.db2.gz HFMPYRAXQWZFAO-PXAZEXFGSA-N 1 0 334.803 4.287 20 5 EIBDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000471643256 1022992975 /nfs/dbraw/zinc/99/29/75/1022992975.db2.gz PORINZHMHHHTRN-LBPRGKRZSA-N 1 0 334.803 4.150 20 5 EIBDRO CCOC1CC(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000189252144 1023047879 /nfs/dbraw/zinc/04/78/79/1023047879.db2.gz NIJXNVSGENTIPX-JZRYZNKLSA-N 1 0 346.471 4.101 20 5 EIBDRO Cc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c2c(n1)CCCC2 ZINC000893279227 1023053226 /nfs/dbraw/zinc/05/32/26/1023053226.db2.gz MXNNNVVJBFEZPX-AWEZNQCLSA-N 1 0 325.412 4.028 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOc3c(C)cccc32)cc1[N+](=O)[O-] ZINC000189368413 1023055567 /nfs/dbraw/zinc/05/55/67/1023055567.db2.gz FZSFGSZPDYILRJ-RHSMWYFYSA-N 1 0 326.396 4.386 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOc3c(C)cccc32)cc1[N+](=O)[O-] ZINC000189368392 1023055817 /nfs/dbraw/zinc/05/58/17/1023055817.db2.gz FZSFGSZPDYILRJ-WMLDXEAASA-N 1 0 326.396 4.386 20 5 EIBDRO COCC[C@@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414477651 1023184423 /nfs/dbraw/zinc/18/44/23/1023184423.db2.gz DIRQQDADEIBKHU-CYBMUJFWSA-N 1 0 334.441 4.086 20 5 EIBDRO CC(C)[N@H+](Cc1cccs1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580975 1023217683 /nfs/dbraw/zinc/21/76/83/1023217683.db2.gz QPWLVFWWMWUOTP-UHFFFAOYSA-N 1 0 331.397 4.208 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1noc3ccccc13)CCCC2 ZINC000581439262 1023221588 /nfs/dbraw/zinc/22/15/88/1023221588.db2.gz PEYQIYIJBPDHAX-KRWDZBQOSA-N 1 0 337.379 4.293 20 5 EIBDRO COCc1ccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417320611 1023262171 /nfs/dbraw/zinc/26/21/71/1023262171.db2.gz KCHLQVZWCOFION-HXUWFJFHSA-N 1 0 340.423 4.299 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(C(F)(F)F)CC1)CCCC2 ZINC000417330774 1023269188 /nfs/dbraw/zinc/26/91/88/1023269188.db2.gz LJAKMYMTATVJQE-CQSZACIVSA-N 1 0 328.334 4.294 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000150900648 1023288170 /nfs/dbraw/zinc/28/81/70/1023288170.db2.gz JFGBCJWRSKKTIV-PBHICJAKSA-N 1 0 345.468 4.144 20 5 EIBDRO Cc1ccc([C@H](C)NCc2nc(C)c3ccccc3n2)cc1[N+](=O)[O-] ZINC000157182611 1023347972 /nfs/dbraw/zinc/34/79/72/1023347972.db2.gz UEMXQLLFLGYGBV-ZDUSSCGKSA-N 1 0 336.395 4.006 20 5 EIBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000480762658 1023528076 /nfs/dbraw/zinc/52/80/76/1023528076.db2.gz KQOQEXQJODEDBL-IEZWGBDMSA-N 1 0 334.460 4.099 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000247351482 1023558857 /nfs/dbraw/zinc/55/88/57/1023558857.db2.gz WAPYICYUBNKRJW-OAHLLOKOSA-N 1 0 335.791 4.090 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccccc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000120286758 1023588398 /nfs/dbraw/zinc/58/83/98/1023588398.db2.gz CYBVMSDNSZSHPY-HNNXBMFYSA-N 1 0 336.338 4.437 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000178217684 1023844062 /nfs/dbraw/zinc/84/40/62/1023844062.db2.gz YEICGPGRQRTDDR-UONOGXRCSA-N 1 0 326.396 4.250 20 5 EIBDRO Cc1ccc([C@H](C)NC2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000157526795 1023872156 /nfs/dbraw/zinc/87/21/56/1023872156.db2.gz CULJFWVIGZSGOH-INIZCTEOSA-N 1 0 345.487 4.351 20 5 EIBDRO CC[C@@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000178316920 1023937864 /nfs/dbraw/zinc/93/78/64/1023937864.db2.gz TVGHRXLAZIWUJP-SJORKVTESA-N 1 0 330.359 4.298 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000430745551 1024003376 /nfs/dbraw/zinc/00/33/76/1024003376.db2.gz ZUWLZHNCTAJFMN-VXGBXAGGSA-N 1 0 328.359 4.080 20 5 EIBDRO CC(C)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCC1 ZINC000108364431 1024034162 /nfs/dbraw/zinc/03/41/62/1024034162.db2.gz KOXWCQOOJIGMLZ-UHFFFAOYSA-N 1 0 343.427 4.445 20 5 EIBDRO CCn1nccc1C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000278845405 1024151332 /nfs/dbraw/zinc/15/13/32/1024151332.db2.gz JRAQKAOPUUFOFQ-HNNXBMFYSA-N 1 0 342.443 4.060 20 5 EIBDRO COc1ccc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1Cl ZINC000548395592 1024205067 /nfs/dbraw/zinc/20/50/67/1024205067.db2.gz VNCPNPURVWCUGW-LBPRGKRZSA-N 1 0 334.803 4.150 20 5 EIBDRO CCOCCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000236874128 1024581569 /nfs/dbraw/zinc/58/15/69/1024581569.db2.gz CZKXBFPBFUTQEK-UHFFFAOYSA-N 1 0 348.374 4.042 20 5 EIBDRO C[C@H]([NH2+]Cc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000048817958 1024736745 /nfs/dbraw/zinc/73/67/45/1024736745.db2.gz CHQOMFVNJUUSLZ-NSHDSACASA-N 1 0 335.201 4.208 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccc(C)s1)C(C)C ZINC000065162115 1025055226 /nfs/dbraw/zinc/05/52/26/1025055226.db2.gz JWKHVICETYLLNW-UHFFFAOYSA-N 1 0 334.441 4.384 20 5 EIBDRO CCc1ccc([C@@H](COC)N[C@H](C)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000165261068 1025175407 /nfs/dbraw/zinc/17/54/07/1025175407.db2.gz UUDDCRDPKDRPQK-CXAGYDPISA-N 1 0 332.400 4.097 20 5 EIBDRO C[NH+](C)[C@H](CNc1c(Cl)cccc1[N+](=O)[O-])c1ccsc1 ZINC000432329435 1025478155 /nfs/dbraw/zinc/47/81/55/1025478155.db2.gz PPPBXENNNYDSLD-CYBMUJFWSA-N 1 0 325.821 4.025 20 5 EIBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)COC2 ZINC000539084165 1025804588 /nfs/dbraw/zinc/80/45/88/1025804588.db2.gz MAWZGTQOUFUQMH-HNNXBMFYSA-N 1 0 340.423 4.299 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCCS3)o2)cc1 ZINC000543415313 1025848631 /nfs/dbraw/zinc/84/86/31/1025848631.db2.gz PKVZHKAWVYWBHL-INIZCTEOSA-N 1 0 332.425 4.230 20 5 EIBDRO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC001167517886 1025898738 /nfs/dbraw/zinc/89/87/38/1025898738.db2.gz SKVSTZQXNXJRSJ-OXQOHEQNSA-N 1 0 342.439 4.328 20 5 EIBDRO C[C@@H]1CCC[C@H](C)N1Cc1c(Br)cccc1[N+](=O)[O-] ZINC001167533466 1025962607 /nfs/dbraw/zinc/96/26/07/1025962607.db2.gz DGBKNBXCNGTUKO-PHIMTYICSA-N 1 0 327.222 4.120 20 5 EIBDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)CCO2 ZINC000344112092 1026023863 /nfs/dbraw/zinc/02/38/63/1026023863.db2.gz VCGHMFFXMUSFFC-SUMWQHHRSA-N 1 0 342.395 4.086 20 5 EIBDRO COc1ccc([C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000178532095 1026045912 /nfs/dbraw/zinc/04/59/12/1026045912.db2.gz PHZMVFOMPWBJNC-ORAYPTAESA-N 1 0 326.396 4.405 20 5 EIBDRO CO[C@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000511068307 1026104598 /nfs/dbraw/zinc/10/45/98/1026104598.db2.gz ZJENGMYDZGQPNI-GOSISDBHSA-N 1 0 348.830 4.110 20 5 EIBDRO Cc1c(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000051429684 1026140171 /nfs/dbraw/zinc/14/01/71/1026140171.db2.gz ZYWIHQMIUGQRNK-MRXNPFEDSA-N 1 0 346.452 4.146 20 5 EIBDRO CC1CCC([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000551392396 1026167998 /nfs/dbraw/zinc/16/79/98/1026167998.db2.gz AJYQGLLTXWHGNX-UHFFFAOYSA-N 1 0 329.400 4.260 20 5 EIBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(C3CCCC3)CC2)cc1 ZINC001167549200 1026195641 /nfs/dbraw/zinc/19/56/41/1026195641.db2.gz KXXGZZPFWSRSAP-UHFFFAOYSA-N 1 0 332.444 4.266 20 5 EIBDRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000551535470 1026211762 /nfs/dbraw/zinc/21/17/62/1026211762.db2.gz XAWXUFSQZFSRDE-TUGJPZLJSA-N 1 0 340.423 4.446 20 5 EIBDRO CCCOc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000101593013 1026225954 /nfs/dbraw/zinc/22/59/54/1026225954.db2.gz VDZQFWPPXOORQR-AWEZNQCLSA-N 1 0 344.411 4.243 20 5 EIBDRO CCCC[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)[C@H](C)CC ZINC000728898070 1026236364 /nfs/dbraw/zinc/23/63/64/1026236364.db2.gz VOOGWCNVTBPTGJ-OAHLLOKOSA-N 1 0 330.432 4.316 20 5 EIBDRO CCC[C@@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000344331016 1026244988 /nfs/dbraw/zinc/24/49/88/1026244988.db2.gz ONQMOBMRFDZDQB-CRAIPNDOSA-N 1 0 334.460 4.214 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000158218579 1026367508 /nfs/dbraw/zinc/36/75/08/1026367508.db2.gz QWCLOKPNJLKKIH-FNHZYXHNSA-N 1 0 326.396 4.166 20 5 EIBDRO CC(C)(C)OC1CC([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451551721 1026367712 /nfs/dbraw/zinc/36/77/12/1026367712.db2.gz UUHJRDMPSOSLPT-ZLPCBKJTSA-N 1 0 332.444 4.120 20 5 EIBDRO CC(C)[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000467864507 1026689663 /nfs/dbraw/zinc/68/96/63/1026689663.db2.gz BIBPCPHQNNTTOZ-KXBFYZLASA-N 1 0 327.428 4.382 20 5 EIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCc1cccc2ccccc21 ZINC000507279651 1026730996 /nfs/dbraw/zinc/73/09/96/1026730996.db2.gz OQWKJTLYZKBLDO-UHFFFAOYSA-N 1 0 334.419 4.465 20 5 EIBDRO COc1ccc([C@H]2CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000512339359 1026739142 /nfs/dbraw/zinc/73/91/42/1026739142.db2.gz UMSLFHLANMFLBP-SUZKBHRPSA-N 1 0 338.407 4.106 20 5 EIBDRO CC[C@@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000507477125 1026808332 /nfs/dbraw/zinc/80/83/32/1026808332.db2.gz LBBSBKKPRFNUGN-MRXNPFEDSA-N 1 0 338.329 4.296 20 5 EIBDRO CC(C)c1ccc(CNc2ccccc2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000438375702 1026842954 /nfs/dbraw/zinc/84/29/54/1026842954.db2.gz NKYKFHGKDAMLIL-UHFFFAOYSA-N 1 0 341.455 4.434 20 5 EIBDRO C[C@H]1CC[C@]2(CC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000543808045 1026865425 /nfs/dbraw/zinc/86/54/25/1026865425.db2.gz NTGAFLJAQDHHDM-LIRRHRJNSA-N 1 0 341.411 4.262 20 5 EIBDRO C[C@@H]([NH2+]CCN1CCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000480022712 1026941187 /nfs/dbraw/zinc/94/11/87/1026941187.db2.gz XUMFVPJZNQVPCK-CQSZACIVSA-N 1 0 345.468 4.070 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000480071922 1026963625 /nfs/dbraw/zinc/96/36/25/1026963625.db2.gz QDIUVLFPIFKTPX-FZKQIMNGSA-N 1 0 347.846 4.202 20 5 EIBDRO C[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178642316 1026971232 /nfs/dbraw/zinc/97/12/32/1026971232.db2.gz FBVWDCRFHBAJAG-UZLBHIALSA-N 1 0 339.439 4.083 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000519776595 1026994563 /nfs/dbraw/zinc/99/45/63/1026994563.db2.gz LXZUFNRRGBBDHR-BJOOFOGMSA-N 1 0 346.814 4.429 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OC2CCCCC2)CC1 ZINC000075676776 1027057140 /nfs/dbraw/zinc/05/71/40/1027057140.db2.gz UPZNVUQRQKIHRL-OAHLLOKOSA-N 1 0 332.444 4.470 20 5 EIBDRO COc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1 ZINC000178659462 1027274832 /nfs/dbraw/zinc/27/48/32/1027274832.db2.gz NIEKSUDMUIZNOA-ZDUSSCGKSA-N 1 0 337.379 4.002 20 5 EIBDRO CC(C)c1[nH+]c(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c2ccccn21 ZINC000582126733 1027313478 /nfs/dbraw/zinc/31/34/78/1027313478.db2.gz QJEZOZWZZKJUNR-CQSZACIVSA-N 1 0 338.411 4.217 20 5 EIBDRO CCCC[C@H](COC)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000524067448 1028599063 /nfs/dbraw/zinc/59/90/63/1028599063.db2.gz RSCIMQRTOKLLQU-CQSZACIVSA-N 1 0 332.400 4.150 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCCC4(CCCC4)C3)co2)cc1 ZINC000445874372 1028981607 /nfs/dbraw/zinc/98/16/07/1028981607.db2.gz JDLMMHUXZNZBMD-UHFFFAOYSA-N 1 0 341.411 4.406 20 5 EIBDRO Cc1ccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000340445593 1029001443 /nfs/dbraw/zinc/00/14/43/1029001443.db2.gz XMKGHKFURZVKPD-MRXNPFEDSA-N 1 0 330.359 4.046 20 5 EIBDRO COc1cc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000446000745 1029066135 /nfs/dbraw/zinc/06/61/35/1029066135.db2.gz GOWLPYZCFFRMBU-RDJZCZTQSA-N 1 0 344.386 4.168 20 5 EIBDRO COC1CCC(C)(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000475189605 1029355609 /nfs/dbraw/zinc/35/56/09/1029355609.db2.gz HUWAWYOEYWHVHM-LSJNQWAISA-N 1 0 334.460 4.101 20 5 EIBDRO CC(C)O[C@@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000428452552 1029550223 /nfs/dbraw/zinc/55/02/23/1029550223.db2.gz LYNHSWUJUWBITL-IBGZPJMESA-N 1 0 328.412 4.193 20 5 EIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000525283104 1029553142 /nfs/dbraw/zinc/55/31/42/1029553142.db2.gz GTFCXDWPHTYSAG-DAXSKMNVSA-N 1 0 338.407 4.151 20 5 EIBDRO CCO[C@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000446856690 1029610623 /nfs/dbraw/zinc/61/06/23/1029610623.db2.gz PQYJPIRFZJICSS-VMTBQTDASA-N 1 0 340.423 4.366 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000441196882 1029692410 /nfs/dbraw/zinc/69/24/10/1029692410.db2.gz ABLBGEAVIHWXBR-PTNGSMBKSA-N 1 0 335.407 4.312 20 5 EIBDRO C[C@H](c1ccccc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000525795197 1030020539 /nfs/dbraw/zinc/02/05/39/1030020539.db2.gz WOTKLHSTZJUXMB-OAHLLOKOSA-N 1 0 326.396 4.199 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000451009126 1030173338 /nfs/dbraw/zinc/17/33/38/1030173338.db2.gz ZJXQXLQJNOOSEL-AWEZNQCLSA-N 1 0 331.803 4.023 20 5 EIBDRO COCCC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000447580123 1030210319 /nfs/dbraw/zinc/21/03/19/1030210319.db2.gz NEKRRZLEBGVKOS-SFHVURJKSA-N 1 0 332.444 4.159 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccc(F)c(F)c1 ZINC000526045614 1030229468 /nfs/dbraw/zinc/22/94/68/1030229468.db2.gz JPJIAZSPRKLHOQ-LCYFTJDESA-N 1 0 332.350 4.109 20 5 EIBDRO CO[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000611984085 1030707622 /nfs/dbraw/zinc/70/76/22/1030707622.db2.gz CLVHWGPGQUXLHM-AWEZNQCLSA-N 1 0 346.452 4.324 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3ccccn3)s2)cc1 ZINC000102419242 1030758426 /nfs/dbraw/zinc/75/84/26/1030758426.db2.gz XSYWAPLJGZSFRO-UHFFFAOYSA-N 1 0 339.420 4.051 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccc(O)cc3)s2)cc1 ZINC000102426496 1030773821 /nfs/dbraw/zinc/77/38/21/1030773821.db2.gz BROULHUCJIJHJP-UHFFFAOYSA-N 1 0 340.404 4.319 20 5 EIBDRO Cc1cccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n1 ZINC000102423657 1030775019 /nfs/dbraw/zinc/77/50/19/1030775019.db2.gz ZIGZZLGCODKMPL-UHFFFAOYSA-N 1 0 339.420 4.317 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C3(CCO)CCCCC3)o2)c1 ZINC000530952574 1030819432 /nfs/dbraw/zinc/81/94/32/1030819432.db2.gz XAPGYCITSNORSH-UHFFFAOYSA-N 1 0 344.411 4.030 20 5 EIBDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000530973962 1030822544 /nfs/dbraw/zinc/82/25/44/1030822544.db2.gz CWDUVBQUXTZLLA-AAEUAGOBSA-N 1 0 346.349 4.062 20 5 EIBDRO CC(C)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC(C)(C)C1 ZINC000452099644 1030831297 /nfs/dbraw/zinc/83/12/97/1030831297.db2.gz CWDCJJZFZXAFSV-UHFFFAOYSA-N 1 0 344.415 4.044 20 5 EIBDRO Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000531282774 1031037997 /nfs/dbraw/zinc/03/79/97/1031037997.db2.gz SQTHFMCCTCXSQZ-QUCCMNQESA-N 1 0 340.423 4.222 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CC(c2ccccc2)C1)C1CC1 ZINC000546687864 1031072475 /nfs/dbraw/zinc/07/24/75/1031072475.db2.gz TUHVNQOSQYPTOS-MHJFOBGBSA-N 1 0 336.435 4.452 20 5 EIBDRO Cc1c(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000179610927 1031227334 /nfs/dbraw/zinc/22/73/34/1031227334.db2.gz VIBHYVSLMLSUSJ-GFCCVEGCSA-N 1 0 336.338 4.355 20 5 EIBDRO CC(C)[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1 ZINC000575890441 1031336842 /nfs/dbraw/zinc/33/68/42/1031336842.db2.gz RFGNKPXSQSFYBC-IBGZPJMESA-N 1 0 344.411 4.102 20 5 EIBDRO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001168234565 1031388607 /nfs/dbraw/zinc/38/86/07/1031388607.db2.gz MKRSJDUYFRWZKI-KGLIPLIRSA-N 1 0 344.386 4.121 20 5 EIBDRO Cc1[nH]c2ccccc2c1CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449116411 1031455014 /nfs/dbraw/zinc/45/50/14/1031455014.db2.gz PRDMSGDAHSUFPW-AWEZNQCLSA-N 1 0 337.423 4.148 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000520213438 1031457884 /nfs/dbraw/zinc/45/78/84/1031457884.db2.gz CKIQMSNTJAKUKW-MLGOLLRUSA-N 1 0 330.384 4.142 20 5 EIBDRO CCOc1ccccc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000531700406 1031485775 /nfs/dbraw/zinc/48/57/75/1031485775.db2.gz HZTVQQRRELBKTP-SFHVURJKSA-N 1 0 340.423 4.104 20 5 EIBDRO C[C@H]([NH2+][C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000531706938 1031493609 /nfs/dbraw/zinc/49/36/09/1031493609.db2.gz LFBOJJOCMSQLQH-MJXNMMHHSA-N 1 0 344.386 4.305 20 5 EIBDRO CC(C)(C)Oc1cc(N2CCC[N@@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000536537977 1031589104 /nfs/dbraw/zinc/58/91/04/1031589104.db2.gz DDLDTCWGLFWXGL-UHFFFAOYSA-N 1 0 349.475 4.083 20 5 EIBDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449347472 1031643507 /nfs/dbraw/zinc/64/35/07/1031643507.db2.gz HRMHISWDPCZIEW-DJJJIMSYSA-N 1 0 326.396 4.332 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCC1(F)F ZINC000449380085 1031690824 /nfs/dbraw/zinc/69/08/24/1031690824.db2.gz VEOSYYKEGFFBMK-DZGCQCFKSA-N 1 0 326.387 4.331 20 5 EIBDRO COc1cccc(C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C2CC2)c1 ZINC000520288433 1031763943 /nfs/dbraw/zinc/76/39/43/1031763943.db2.gz PXSVYYWWBHPUPE-IBGZPJMESA-N 1 0 340.423 4.023 20 5 EIBDRO CO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H]1C ZINC000449493558 1031789518 /nfs/dbraw/zinc/78/95/18/1031789518.db2.gz FCEZFZBTXWDNNO-GUYCJALGSA-N 1 0 346.452 4.180 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000449489689 1031798687 /nfs/dbraw/zinc/79/86/87/1031798687.db2.gz AQUZANAASFRYBV-YIBBBHAYSA-N 1 0 332.444 4.039 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC000453345428 1031871674 /nfs/dbraw/zinc/87/16/74/1031871674.db2.gz JZGXDRSNWISMAB-CQSZACIVSA-N 1 0 328.387 4.030 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nccn1CC ZINC000453353934 1031883806 /nfs/dbraw/zinc/88/38/06/1031883806.db2.gz NYUMIGRUDRBLPH-KBPBESRZSA-N 1 0 348.472 4.033 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2cccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453382217 1031893102 /nfs/dbraw/zinc/89/31/02/1031893102.db2.gz LSZMUPWTHITPOO-DUVNUKRYSA-N 1 0 332.425 4.227 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000453388155 1031898807 /nfs/dbraw/zinc/89/88/07/1031898807.db2.gz OZJWYXKPUYNKPM-DUVNUKRYSA-N 1 0 332.425 4.227 20 5 EIBDRO COc1c(Cl)cccc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000897480185 1031926931 /nfs/dbraw/zinc/92/69/31/1031926931.db2.gz SELKCNPHISFPJF-HNNXBMFYSA-N 1 0 332.787 4.034 20 5 EIBDRO COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000453377419 1031929465 /nfs/dbraw/zinc/92/94/65/1031929465.db2.gz QESDQVLKQWFGOR-JQFCIGGWSA-N 1 0 326.396 4.200 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)C[C@@H](O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000245658568 1033393756 /nfs/dbraw/zinc/39/37/56/1033393756.db2.gz GTRVHHDFOKCNSR-VBNZEHGJSA-N 1 0 334.441 4.209 20 5 EIBDRO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC000573639614 1033416093 /nfs/dbraw/zinc/41/60/93/1033416093.db2.gz FCDNJYVFKIGYMF-DZFYGRHCSA-N 1 0 348.406 4.145 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1 ZINC000432946011 1033474054 /nfs/dbraw/zinc/47/40/54/1033474054.db2.gz VUUKTERHBXGJLZ-MRXNPFEDSA-N 1 0 327.384 4.032 20 5 EIBDRO COc1ccc(F)cc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433062706 1033750847 /nfs/dbraw/zinc/75/08/47/1033750847.db2.gz PHGNEXBDIHWYQH-QGZVFWFLSA-N 1 0 344.386 4.255 20 5 EIBDRO C[C@@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000433083804 1033816172 /nfs/dbraw/zinc/81/61/72/1033816172.db2.gz PARHBEHXEHPCCH-IAGOWNOFSA-N 1 0 339.439 4.162 20 5 EIBDRO COc1cnccc1[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433095171 1033840527 /nfs/dbraw/zinc/84/05/27/1033840527.db2.gz BZVNTRJFHPZLEW-SJCJKPOMSA-N 1 0 341.411 4.072 20 5 EIBDRO CC1(C)C[C@H]([NH2+]CCSCC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433220565 1034067614 /nfs/dbraw/zinc/06/76/14/1034067614.db2.gz PVYSPRKGCGDXKF-ZDUSSCGKSA-N 1 0 348.390 4.202 20 5 EIBDRO Cc1csc([C@@H](C)C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000433225255 1034071739 /nfs/dbraw/zinc/07/17/39/1034071739.db2.gz ATDSYWCICAWLMI-ZBEGNZNMSA-N 1 0 345.468 4.475 20 5 EIBDRO CCC(CC)(CCO)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433285535 1034187606 /nfs/dbraw/zinc/18/76/06/1034187606.db2.gz IETRCPVPJXDASA-QGZVFWFLSA-N 1 0 334.460 4.096 20 5 EIBDRO CN(C)c1ccccc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433285122 1034188918 /nfs/dbraw/zinc/18/89/18/1034188918.db2.gz LETHTCNEYPMQLR-GOSISDBHSA-N 1 0 339.439 4.173 20 5 EIBDRO CCC[C@H](CCO)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237026790 1035387236 /nfs/dbraw/zinc/38/72/36/1035387236.db2.gz ZDDRIEPRJNOUNP-CQSZACIVSA-N 1 0 348.468 4.212 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2C ZINC000595012150 1035504662 /nfs/dbraw/zinc/50/46/62/1035504662.db2.gz CCNRGAOEKHYMCQ-FZKQIMNGSA-N 1 0 326.396 4.250 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000595019674 1035507357 /nfs/dbraw/zinc/50/73/57/1035507357.db2.gz PDIHSPDPGWYDKZ-WTOJCKNJSA-N 1 0 326.396 4.188 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000595024715 1035515933 /nfs/dbraw/zinc/51/59/33/1035515933.db2.gz CXWGCGXABAZLIT-CHWSQXEVSA-N 1 0 332.375 4.463 20 5 EIBDRO CC([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)(C1CC1)C1CC1 ZINC000594995104 1035525034 /nfs/dbraw/zinc/52/50/34/1035525034.db2.gz ZKTDSZIOVNXVTP-UHFFFAOYSA-N 1 0 343.452 4.387 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](COC)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000595071021 1035556703 /nfs/dbraw/zinc/55/67/03/1035556703.db2.gz XIBKKRIRZOGZJX-MOPGFXCFSA-N 1 0 344.411 4.032 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000595039162 1035564178 /nfs/dbraw/zinc/56/41/78/1035564178.db2.gz DFVIDLFLBHYZNR-CYBMUJFWSA-N 1 0 326.396 4.332 20 5 EIBDRO C[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000595051928 1035570205 /nfs/dbraw/zinc/57/02/05/1035570205.db2.gz XVJQPPGCTHQAGG-GJYPPUQNSA-N 1 0 339.439 4.094 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000595080747 1035593885 /nfs/dbraw/zinc/59/38/85/1035593885.db2.gz NUKMXKOZUCPVGK-NHYWBVRUSA-N 1 0 328.359 4.080 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000595091811 1035600156 /nfs/dbraw/zinc/60/01/56/1035600156.db2.gz UJLUWZIIQQSSAO-YVEFUNNKSA-N 1 0 342.395 4.037 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H](c2ccccc2)[C@H](O)C(C)C)cccc1[N+](=O)[O-] ZINC000595097596 1035606384 /nfs/dbraw/zinc/60/63/84/1035606384.db2.gz YXKLCZLNBAEEET-CWFSZBLJSA-N 1 0 342.439 4.312 20 5 EIBDRO Cc1noc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000595450214 1035682175 /nfs/dbraw/zinc/68/21/75/1035682175.db2.gz SFKNCUZVQMTHAE-BRWVUGGUSA-N 1 0 341.411 4.049 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1 ZINC000593124885 1035795813 /nfs/dbraw/zinc/79/58/13/1035795813.db2.gz KJEACXTWCZFRFS-UFYCRDLUSA-N 1 0 338.407 4.089 20 5 EIBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595858181 1035800960 /nfs/dbraw/zinc/80/09/60/1035800960.db2.gz SFODRLGYAYVLQY-MYFMFCSTSA-N 1 0 327.384 4.013 20 5 EIBDRO COc1cccc(C2([NH2+]Cc3cccc([N+](=O)[O-])c3C)CCC2)c1 ZINC000595859309 1035801714 /nfs/dbraw/zinc/80/17/14/1035801714.db2.gz ZTUXGTJIXWWYCE-UHFFFAOYSA-N 1 0 326.396 4.081 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000593126570 1035806896 /nfs/dbraw/zinc/80/68/96/1035806896.db2.gz WMJPHVUGZYTBTK-UFYCRDLUSA-N 1 0 338.407 4.089 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1[N+](=O)[O-] ZINC000586791244 1035847853 /nfs/dbraw/zinc/84/78/53/1035847853.db2.gz VYUITOFPEJIGLH-RYUDHWBXSA-N 1 0 341.367 4.162 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055103185 1035886199 /nfs/dbraw/zinc/88/61/99/1035886199.db2.gz NEICFJHLVZQOEL-CQSZACIVSA-N 1 0 326.396 4.241 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCC[C@H](c2cccnc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000502245819 1035969707 /nfs/dbraw/zinc/96/97/07/1035969707.db2.gz BQOIPHWPESGREJ-ZVZYQTTQSA-N 1 0 325.412 4.367 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000502324300 1036079151 /nfs/dbraw/zinc/07/91/51/1036079151.db2.gz BWQCGGFMTXMXJW-UONOGXRCSA-N 1 0 326.387 4.331 20 5 EIBDRO COc1cc(C[N@H+](C)[C@@H](C)c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000485736121 1036227525 /nfs/dbraw/zinc/22/75/25/1036227525.db2.gz HDAVHYRCYRKJRF-LBPRGKRZSA-N 1 0 334.803 4.450 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCC3(O)CCC3)s2)cc1 ZINC000421369810 1036314155 /nfs/dbraw/zinc/31/41/55/1036314155.db2.gz HVRBASJGLSFIQL-UHFFFAOYSA-N 1 0 346.452 4.108 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCC2(O)CCC2)s1 ZINC000421370764 1036318537 /nfs/dbraw/zinc/31/85/37/1036318537.db2.gz IUAZLFMOFXFEDD-UHFFFAOYSA-N 1 0 346.452 4.108 20 5 EIBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000421388227 1036347266 /nfs/dbraw/zinc/34/72/66/1036347266.db2.gz PUTUPKYUCIHHCY-GOEBONIOSA-N 1 0 346.452 4.371 20 5 EIBDRO CC[C@@H]1C[C@@]1([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1cccc(C)c1 ZINC000502596400 1036389452 /nfs/dbraw/zinc/38/94/52/1036389452.db2.gz QAJHBNGVMPDKFW-UZLBHIALSA-N 1 0 340.423 4.327 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000602652326 1036545861 /nfs/dbraw/zinc/54/58/61/1036545861.db2.gz CNZAVHKAQOBZHA-UHFFFAOYSA-N 1 0 342.239 4.046 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602886116 1036660032 /nfs/dbraw/zinc/66/00/32/1036660032.db2.gz HBOVWDSAJKYDTE-GDBMZVCRSA-N 1 0 348.406 4.089 20 5 EIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)CC3 ZINC000486457452 1036706615 /nfs/dbraw/zinc/70/66/15/1036706615.db2.gz HBEUSQFWOUKFRJ-HNNXBMFYSA-N 1 0 335.407 4.032 20 5 EIBDRO COc1cc(C)ccc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192953389 1036723817 /nfs/dbraw/zinc/72/38/17/1036723817.db2.gz BFOTWTNNWQRFPY-SFHVURJKSA-N 1 0 326.396 4.079 20 5 EIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1Cl ZINC000421836015 1036795007 /nfs/dbraw/zinc/79/50/07/1036795007.db2.gz GGNMHHBCVYLXLJ-JTQLQIEISA-N 1 0 340.210 4.190 20 5 EIBDRO COc1ccc([C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C2CC2)c(F)c1 ZINC000421837187 1036798531 /nfs/dbraw/zinc/79/85/31/1036798531.db2.gz INKNWZJMYCKHBY-LJQANCHMSA-N 1 0 344.386 4.292 20 5 EIBDRO CC[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000421854256 1036807806 /nfs/dbraw/zinc/80/78/06/1036807806.db2.gz KHUZAPWTVLZMDG-DFQSSKMNSA-N 1 0 340.423 4.231 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC[C@@H]2CCCOC2)c2ccccc2)c1 ZINC000599057409 1036865506 /nfs/dbraw/zinc/86/55/06/1036865506.db2.gz OMOJLSSTUPIUAT-JXFKEZNVSA-N 1 0 340.423 4.091 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000599068828 1036868083 /nfs/dbraw/zinc/86/80/83/1036868083.db2.gz PWOJKVITTIFWJU-IFXJQAMLSA-N 1 0 325.412 4.490 20 5 EIBDRO CC[C@H]([NH2+]CC(C)(C)c1ccc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000599070671 1036869268 /nfs/dbraw/zinc/86/92/68/1036869268.db2.gz NGRZFFGZDCSOJP-KRWDZBQOSA-N 1 0 327.428 4.317 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@H](c2ccccn2)C2CCC2)cccc1[N+](=O)[O-] ZINC000599068837 1036869314 /nfs/dbraw/zinc/86/93/14/1036869314.db2.gz QBQQWJSYJIOTNA-KUHUBIRLSA-N 1 0 325.412 4.490 20 5 EIBDRO COc1ccc([C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C2CC2)cn1 ZINC000599095583 1036877258 /nfs/dbraw/zinc/87/72/58/1036877258.db2.gz HPCKOZONCIXXCZ-ORAYPTAESA-N 1 0 341.411 4.109 20 5 EIBDRO CC1(C)C[C@@H]([NH2+][C@@H](C2CC2)C2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000593715005 1036915921 /nfs/dbraw/zinc/91/59/21/1036915921.db2.gz FVMXPELKHZQCRW-MOPGFXCFSA-N 1 0 344.455 4.112 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000599355256 1036967594 /nfs/dbraw/zinc/96/75/94/1036967594.db2.gz XDSFDSOEWJGNLK-LLVKDONJSA-N 1 0 339.317 4.168 20 5 EIBDRO CSc1ccc([C@@H](CNc2ccc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000590150788 1036991215 /nfs/dbraw/zinc/99/12/15/1036991215.db2.gz GNRBPZBRYTUPEJ-CYBMUJFWSA-N 1 0 337.470 4.093 20 5 EIBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)s1 ZINC000603837222 1037031561 /nfs/dbraw/zinc/03/15/61/1037031561.db2.gz LFEZZBZRSOSASV-UHFFFAOYSA-N 1 0 340.832 4.211 20 5 EIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000603857566 1037051476 /nfs/dbraw/zinc/05/14/76/1037051476.db2.gz XXRZVHZNLGEPBF-INIZCTEOSA-N 1 0 346.814 4.464 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCCC[C@@H]2c2ccncc2)cc1 ZINC000603879280 1037070463 /nfs/dbraw/zinc/07/04/63/1037070463.db2.gz ONBWAJKWYWTMHN-LJQANCHMSA-N 1 0 325.412 4.150 20 5 EIBDRO C[NH+](C)[C@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])c1ccsc1 ZINC000590570844 1037108985 /nfs/dbraw/zinc/10/89/85/1037108985.db2.gz FNQAZFNVPVJJRK-CQSZACIVSA-N 1 0 341.383 4.309 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000061780549 1037542625 /nfs/dbraw/zinc/54/26/25/1037542625.db2.gz GJNJHHREUJLULI-GFCCVEGCSA-N 1 0 336.338 4.389 20 5 EIBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])Cn1ccc(=S)c2ccccc21 ZINC000171943066 1037780774 /nfs/dbraw/zinc/78/07/74/1037780774.db2.gz GJMNIZPENHQWJT-UHFFFAOYSA-N 1 0 339.420 4.368 20 5 EIBDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000489062219 1037854280 /nfs/dbraw/zinc/85/42/80/1037854280.db2.gz DRQZBZORPIWDFF-SCLBCKFNSA-N 1 0 348.468 4.210 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]CC2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000503938193 1038028373 /nfs/dbraw/zinc/02/83/73/1038028373.db2.gz SDMNDGIHJMYXLP-GFCCVEGCSA-N 1 0 342.386 4.470 20 5 EIBDRO CC(C)c1ccc([C@@H]([NH3+])CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000423235119 1038054584 /nfs/dbraw/zinc/05/45/84/1038054584.db2.gz GHUVHXIREOMJKX-LIRRHRJNSA-N 1 0 327.428 4.069 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000423361018 1038180188 /nfs/dbraw/zinc/18/01/88/1038180188.db2.gz WPYADNMIEUOXRT-FZKQIMNGSA-N 1 0 325.412 4.214 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490056589 1038325128 /nfs/dbraw/zinc/32/51/28/1038325128.db2.gz PXYXSTSUQVJDED-DOTOQJQBSA-N 1 0 325.412 4.232 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594490660 1038344140 /nfs/dbraw/zinc/34/41/40/1038344140.db2.gz OPRCQNYTWVWCNR-SCLBCKFNSA-N 1 0 326.396 4.332 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CSCc2ccccc21 ZINC000594493463 1038344382 /nfs/dbraw/zinc/34/43/82/1038344382.db2.gz PLRAHQMMEDWZKE-SJORKVTESA-N 1 0 326.421 4.160 20 5 EIBDRO COc1cccc([C@H]2C[C@@H](C)CN2Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC001168424150 1038622661 /nfs/dbraw/zinc/62/26/61/1038622661.db2.gz UOUTWLLLPJGBOV-BFUOFWGJSA-N 1 0 344.386 4.326 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC23CC3)ccc1Oc1ccc(F)cc1 ZINC000424185670 1038727246 /nfs/dbraw/zinc/72/72/46/1038727246.db2.gz QCSQLUUEJREVRN-KRWDZBQOSA-N 1 0 328.343 4.168 20 5 EIBDRO CCC[C@H]([NH2+]CCSCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000539050501 1038795305 /nfs/dbraw/zinc/79/53/05/1038795305.db2.gz HEJQALARBCNKRP-ZDUSSCGKSA-N 1 0 336.379 4.321 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000539052654 1038800066 /nfs/dbraw/zinc/80/00/66/1038800066.db2.gz OECUCIRTCLWCJK-CJNGLKHVSA-N 1 0 338.398 4.474 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]CCSCC(C)C)cc1[N+](=O)[O-] ZINC000539054429 1038801515 /nfs/dbraw/zinc/80/15/15/1038801515.db2.gz HJRILZDVOVZPDF-CYBMUJFWSA-N 1 0 326.462 4.033 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1scnc1C ZINC000504899271 1038834250 /nfs/dbraw/zinc/83/42/50/1038834250.db2.gz CZBKOUVZKODVBU-GFCCVEGCSA-N 1 0 337.470 4.020 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000504900289 1038834775 /nfs/dbraw/zinc/83/47/75/1038834775.db2.gz VGZIDZNLDGYKQN-STQMWFEESA-N 1 0 334.441 4.337 20 5 EIBDRO Cc1cc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461935718 1038838944 /nfs/dbraw/zinc/83/89/44/1038838944.db2.gz KQBJPGONPVGCEV-UONOGXRCSA-N 1 0 335.423 4.107 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000504920345 1038842981 /nfs/dbraw/zinc/84/29/81/1038842981.db2.gz NTNNSFCENOVJMI-CXAGYDPISA-N 1 0 326.396 4.250 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]CCOc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000504905438 1038846270 /nfs/dbraw/zinc/84/62/70/1038846270.db2.gz IMVMVFDUIHWIBG-OAHLLOKOSA-N 1 0 344.411 4.032 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CCc2ccco2)cc1[N+](=O)[O-] ZINC000504911363 1038847856 /nfs/dbraw/zinc/84/78/56/1038847856.db2.gz FEWWPLOHCOIMBK-KGLIPLIRSA-N 1 0 332.400 4.258 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1CCSCC1 ZINC000504927696 1038859393 /nfs/dbraw/zinc/85/93/93/1038859393.db2.gz SSCWGJOYJGDKMR-CQSZACIVSA-N 1 0 340.514 4.198 20 5 EIBDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000539227461 1038893288 /nfs/dbraw/zinc/89/32/88/1038893288.db2.gz SMKYRCZVUPVRTI-PBHICJAKSA-N 1 0 346.452 4.228 20 5 EIBDRO CC[C@H]([NH2+]CCCc1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000481047204 1038980629 /nfs/dbraw/zinc/98/06/29/1038980629.db2.gz KJTRFZYVATWXJV-IBGZPJMESA-N 1 0 328.412 4.277 20 5 EIBDRO COc1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000608977639 1038986533 /nfs/dbraw/zinc/98/65/33/1038986533.db2.gz XBCONIPBDXNNOF-SFHVURJKSA-N 1 0 340.423 4.373 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1c(F)cccc1F)C1CC1 ZINC000481325080 1039301456 /nfs/dbraw/zinc/30/14/56/1039301456.db2.gz SPCXXFLPXLQVEV-SFHVURJKSA-N 1 0 346.377 4.026 20 5 EIBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000481344021 1039329113 /nfs/dbraw/zinc/32/91/13/1039329113.db2.gz JKPYWXNAWNOUBN-UGSOOPFHSA-N 1 0 348.830 4.157 20 5 EIBDRO CCCOc1ncccc1C[NH2+][C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000481429700 1039414785 /nfs/dbraw/zinc/41/47/85/1039414785.db2.gz ZDDGZCUTHRQJKZ-GOSISDBHSA-N 1 0 343.427 4.410 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CC(F)(c3cccc(Cl)c3)C2)c1 ZINC000481818696 1039839597 /nfs/dbraw/zinc/83/95/97/1039839597.db2.gz VDXJTIYIFPNBAF-UHFFFAOYSA-N 1 0 334.778 4.365 20 5 EIBDRO C[C@]12CC[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]1C2(F)F ZINC000430095396 1039840179 /nfs/dbraw/zinc/84/01/79/1039840179.db2.gz CWZBHQUDHRQLEV-SJORKVTESA-N 1 0 348.349 4.332 20 5 EIBDRO COCc1ccccc1/C=C(/C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000510014470 1039851109 /nfs/dbraw/zinc/85/11/09/1039851109.db2.gz NZEJUPFZCGUTDC-UVQBRAAOSA-N 1 0 340.423 4.495 20 5 EIBDRO CCN(CC)[C@@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000481951090 1039907222 /nfs/dbraw/zinc/90/72/22/1039907222.db2.gz GFOOMVRFMURAQI-QAPCUYQASA-N 1 0 345.443 4.230 20 5 EIBDRO C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000476825398 1039952039 /nfs/dbraw/zinc/95/20/39/1039952039.db2.gz REWZBOZWGUHSIV-OAHLLOKOSA-N 1 0 331.460 4.043 20 5 EIBDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000434986535 1039984870 /nfs/dbraw/zinc/98/48/70/1039984870.db2.gz OYWYOUFSBONCED-GOSISDBHSA-N 1 0 326.396 4.249 20 5 EIBDRO COc1ccc(C[NH2+]C(C)(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000128252516 1040140916 /nfs/dbraw/zinc/14/09/16/1040140916.db2.gz SDWZBGKFBFIMKO-UHFFFAOYSA-N 1 0 344.411 4.071 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000325133742 1040219114 /nfs/dbraw/zinc/21/91/14/1040219114.db2.gz ONGCRXWAFJGILK-INIZCTEOSA-N 1 0 338.329 4.421 20 5 EIBDRO COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000482514318 1040310602 /nfs/dbraw/zinc/31/06/02/1040310602.db2.gz SGGCEIAPHDYBBF-GFCCVEGCSA-N 1 0 334.803 4.150 20 5 EIBDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000479556616 1040467169 /nfs/dbraw/zinc/46/71/69/1040467169.db2.gz LTLDRUNILLIJBP-LJQANCHMSA-N 1 0 326.396 4.113 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H](c4ccccc4)C3)co2)cc1 ZINC000089891087 1040516764 /nfs/dbraw/zinc/51/67/64/1040516764.db2.gz GVHDBCYFYJHNIS-QGZVFWFLSA-N 1 0 349.390 4.239 20 5 EIBDRO CCC[C@@H](NC1CC[NH+](C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000160486433 1040547911 /nfs/dbraw/zinc/54/79/11/1040547911.db2.gz SOJJPLZJKCHYTD-HXUWFJFHSA-N 1 0 345.487 4.433 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](C)N(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000482892488 1040553758 /nfs/dbraw/zinc/55/37/58/1040553758.db2.gz PSFVWDLSKPOYJT-NVXWUHKLSA-N 1 0 341.455 4.074 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000435731467 1040566368 /nfs/dbraw/zinc/56/63/68/1040566368.db2.gz JUPDZYPZIXPCHZ-ZADPBSGZSA-N 1 0 344.361 4.422 20 5 EIBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482950101 1040591480 /nfs/dbraw/zinc/59/14/80/1040591480.db2.gz SCRVDHREIXXMOC-ZENOOKHLSA-N 1 0 348.468 4.381 20 5 EIBDRO CC(C)CO[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000537724803 1040776514 /nfs/dbraw/zinc/77/65/14/1040776514.db2.gz FVXAPZVTJBUTAI-KRWDZBQOSA-N 1 0 344.411 4.102 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](CC3CC3)C3CCC3)o2)c1 ZINC000483306796 1040813132 /nfs/dbraw/zinc/81/31/32/1040813132.db2.gz KUUWFWMXEJOHQR-UHFFFAOYSA-N 1 0 341.411 4.057 20 5 EIBDRO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000515553204 1040850656 /nfs/dbraw/zinc/85/06/56/1040850656.db2.gz XAHFNLZOWQCVSM-SFHVURJKSA-N 1 0 340.423 4.119 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000462730546 1040872931 /nfs/dbraw/zinc/87/29/31/1040872931.db2.gz IQIJPKMRMOEWEV-LJQANCHMSA-N 1 0 342.439 4.449 20 5 EIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC000462732964 1040874392 /nfs/dbraw/zinc/87/43/92/1040874392.db2.gz FTZKBGCJFNSHGM-OUCADQQQSA-N 1 0 340.370 4.255 20 5 EIBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCc3cc(F)ccc32)cc([N+](=O)[O-])c1 ZINC000903083815 1040895451 /nfs/dbraw/zinc/89/54/51/1040895451.db2.gz OGERTLHISHDBMY-ADLMAVQZSA-N 1 0 330.359 4.081 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)Cc1cccs1 ZINC000462761159 1040900987 /nfs/dbraw/zinc/90/09/87/1040900987.db2.gz MVHSYAZEPGGFEG-CYBMUJFWSA-N 1 0 334.441 4.023 20 5 EIBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000537948744 1040913116 /nfs/dbraw/zinc/91/31/16/1040913116.db2.gz AURWKKKNPAQXDO-GFCCVEGCSA-N 1 0 336.338 4.090 20 5 EIBDRO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000483687093 1040957534 /nfs/dbraw/zinc/95/75/34/1040957534.db2.gz RNEJAKPXWSDUFW-XPGWFJOJSA-N 1 0 340.423 4.474 20 5 EIBDRO CC(C)[C@@H](CCO)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483718287 1040975050 /nfs/dbraw/zinc/97/50/50/1040975050.db2.gz AMZKXOQDDLAUFZ-UKRRQHHQSA-N 1 0 348.468 4.381 20 5 EIBDRO CCC[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000483730887 1040987212 /nfs/dbraw/zinc/98/72/12/1040987212.db2.gz OVWQXAZXIADCDH-WNRNVDISSA-N 1 0 332.444 4.229 20 5 EIBDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000540067828 1041070314 /nfs/dbraw/zinc/07/03/14/1041070314.db2.gz YBHBIDSPFLGDFE-HNAYVOBHSA-N 1 0 344.411 4.148 20 5 EIBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])c(OC)c1)c1ccsc1 ZINC000462920793 1041117220 /nfs/dbraw/zinc/11/72/20/1041117220.db2.gz WDRXVSOQNMOILT-INIZCTEOSA-N 1 0 349.456 4.160 20 5 EIBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000120696006 1041139579 /nfs/dbraw/zinc/13/95/79/1041139579.db2.gz POTYTFUHWHDZFX-KGLIPLIRSA-N 1 0 341.411 4.273 20 5 EIBDRO CCC[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000540157077 1041206119 /nfs/dbraw/zinc/20/61/19/1041206119.db2.gz VMMJITFXQMUPQP-YTQUADARSA-N 1 0 334.460 4.477 20 5 EIBDRO Cc1c(C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000484346772 1041220253 /nfs/dbraw/zinc/22/02/53/1041220253.db2.gz ZMHYPPVQELDQKH-AWEZNQCLSA-N 1 0 330.350 4.314 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000540163745 1041226386 /nfs/dbraw/zinc/22/63/86/1041226386.db2.gz JJDWDUBJYNKNFJ-JCGVRSQUSA-N 1 0 332.375 4.161 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000484548011 1041321040 /nfs/dbraw/zinc/32/10/40/1041321040.db2.gz ZUZWFHQMVSXQRH-GOSISDBHSA-N 1 0 326.396 4.249 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1SCCc2ccccc21 ZINC000538429355 1041334112 /nfs/dbraw/zinc/33/41/12/1041334112.db2.gz BSEVHWLTANBYKB-MTCRFPMVSA-N 1 0 340.448 4.228 20 5 EIBDRO CO[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000538429650 1041334247 /nfs/dbraw/zinc/33/42/47/1041334247.db2.gz YLNQXQQXSOZRAM-MJICGBHWSA-N 1 0 346.814 4.239 20 5 EIBDRO CCC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000538587886 1041439554 /nfs/dbraw/zinc/43/95/54/1041439554.db2.gz KZHAAOLAOFQRFN-HCXYKTFWSA-N 1 0 344.455 4.373 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505880239 1041475772 /nfs/dbraw/zinc/47/57/72/1041475772.db2.gz RLNRIGYVHQZZCO-HZPDHXFCSA-N 1 0 326.396 4.057 20 5 EIBDRO CC[N@H+](CCc1nccs1)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470178738 1041569155 /nfs/dbraw/zinc/56/91/55/1041569155.db2.gz NCEQLGGPQGPCFE-SDNWHVSQSA-N 1 0 331.441 4.019 20 5 EIBDRO COc1cc(C[NH2+][C@@H](c2ccccc2)C(C)C)c([N+](=O)[O-])cc1F ZINC000463479244 1041590260 /nfs/dbraw/zinc/59/02/60/1041590260.db2.gz QWSHUEYWXGHDAK-GOSISDBHSA-N 1 0 332.375 4.229 20 5 EIBDRO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595411753 1041616032 /nfs/dbraw/zinc/61/60/32/1041616032.db2.gz SSGIXNWWHFWVDU-CYBMUJFWSA-N 1 0 332.375 4.372 20 5 EIBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000437073358 1041635614 /nfs/dbraw/zinc/63/56/14/1041635614.db2.gz GICKCZLZEPZQMU-TZMCWYRMSA-N 1 0 332.366 4.483 20 5 EIBDRO COCC1([NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000540750614 1041637861 /nfs/dbraw/zinc/63/78/61/1041637861.db2.gz MDUKWHCEJOEJBE-LBPRGKRZSA-N 1 0 332.425 4.153 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000516736532 1041728064 /nfs/dbraw/zinc/72/80/64/1041728064.db2.gz UORQEZZBTLSNFE-UHFFFAOYSA-N 1 0 340.423 4.145 20 5 EIBDRO CCSCC[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000464049903 1041836699 /nfs/dbraw/zinc/83/66/99/1041836699.db2.gz KSZTWXSEBVAUPU-ZDUSSCGKSA-N 1 0 334.441 4.476 20 5 EIBDRO CCSCC[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000464043483 1041840984 /nfs/dbraw/zinc/84/09/84/1041840984.db2.gz PNJBNZWJCNIJGL-ZDUSSCGKSA-N 1 0 334.441 4.476 20 5 EIBDRO CCc1ccc([C@@H]([NH2+]C2CCSCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541565564 1042005300 /nfs/dbraw/zinc/00/53/00/1042005300.db2.gz GIHPCBLGDJDJQD-SFHVURJKSA-N 1 0 346.452 4.325 20 5 EIBDRO CO[C@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000090176535 1042057275 /nfs/dbraw/zinc/05/72/75/1042057275.db2.gz LIYZFUSEZBBZLJ-FZKQIMNGSA-N 1 0 332.375 4.081 20 5 EIBDRO C[C@@H](CC1CCCCC1)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425984166 1042146634 /nfs/dbraw/zinc/14/66/34/1042146634.db2.gz YYPCLFCEQUFLGG-HNNXBMFYSA-N 1 0 334.464 4.035 20 5 EIBDRO CCC(CC)[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000517709778 1042152833 /nfs/dbraw/zinc/15/28/33/1042152833.db2.gz SQQBSVLFMZPTBF-QGZVFWFLSA-N 1 0 348.468 4.210 20 5 EIBDRO Cc1cccc(C)c1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464783897 1042161995 /nfs/dbraw/zinc/16/19/95/1042161995.db2.gz SKBOSUGQONDYNP-UHFFFAOYSA-N 1 0 340.423 4.255 20 5 EIBDRO CCC1(CC)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000438500344 1042213603 /nfs/dbraw/zinc/21/36/03/1042213603.db2.gz IBNGNJKTRQPFSC-UHFFFAOYSA-N 1 0 343.427 4.304 20 5 EIBDRO C[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000153050841 1042233099 /nfs/dbraw/zinc/23/30/99/1042233099.db2.gz XEFCTPMFMPHALQ-QWHCGFSZSA-N 1 0 332.425 4.153 20 5 EIBDRO C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000153050670 1042233720 /nfs/dbraw/zinc/23/37/20/1042233720.db2.gz XEFCTPMFMPHALQ-STQMWFEESA-N 1 0 332.425 4.153 20 5 EIBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000506418509 1042394787 /nfs/dbraw/zinc/39/47/87/1042394787.db2.gz YXUDKGMZQWTAJV-HNNXBMFYSA-N 1 0 328.412 4.057 20 5 EIBDRO CCOCc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000151631151 1042449457 /nfs/dbraw/zinc/44/94/57/1042449457.db2.gz YSQNFCHLWHEMMV-HNNXBMFYSA-N 1 0 328.412 4.291 20 5 EIBDRO C[C@H](C[C@H]1CCCO1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000518279428 1042450918 /nfs/dbraw/zinc/45/09/18/1042450918.db2.gz VGWPQNMAWUUAAB-CZUORRHYSA-N 1 0 346.452 4.371 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3CC(F)(F)C3)s2)cc1 ZINC000491592777 1042476758 /nfs/dbraw/zinc/47/67/58/1042476758.db2.gz YRIYSCMHZXEMCZ-UHFFFAOYSA-N 1 0 338.379 4.458 20 5 EIBDRO CCc1ccc([C@@H]([NH2+]CC(C)(C)COC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000426293133 1042525771 /nfs/dbraw/zinc/52/57/71/1042525771.db2.gz QJJMGPICIVUHHI-SFHVURJKSA-N 1 0 346.427 4.102 20 5 EIBDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000518459459 1042531560 /nfs/dbraw/zinc/53/15/60/1042531560.db2.gz LNKDXGVPPXWGAW-ZDUSSCGKSA-N 1 0 334.803 4.320 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)cc1[N+](=O)[O-] ZINC000426311575 1042545852 /nfs/dbraw/zinc/54/58/52/1042545852.db2.gz QKJJJSACAFCURA-LXIYXOSZSA-N 1 0 346.452 4.318 20 5 EIBDRO CCC(CC)[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000492102396 1042560075 /nfs/dbraw/zinc/56/00/75/1042560075.db2.gz ZMURCOJWYUWPHD-PMACEKPBSA-N 1 0 342.439 4.071 20 5 EIBDRO CCOc1cc(C[N@H+](CC)CCc2cccs2)ccc1[N+](=O)[O-] ZINC000492358772 1042622002 /nfs/dbraw/zinc/62/20/02/1042622002.db2.gz TZPCDQILZWTERL-UHFFFAOYSA-N 1 0 334.441 4.120 20 5 EIBDRO C[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000536397184 1042835228 /nfs/dbraw/zinc/83/52/28/1042835228.db2.gz NHBNBOFFKMWYEM-UONOGXRCSA-N 1 0 346.452 4.228 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cccc3cccnc32)cc1Cl ZINC000761520344 1042875367 /nfs/dbraw/zinc/87/53/67/1042875367.db2.gz BNWWVZKFUIJYMR-UHFFFAOYSA-N 1 0 341.798 4.129 20 5 EIBDRO Cc1cccc2c(CC[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)c[nH]c21 ZINC000761524539 1042877069 /nfs/dbraw/zinc/87/70/69/1042877069.db2.gz FMAHTLJVJBXWIH-UHFFFAOYSA-N 1 0 343.814 4.370 20 5 EIBDRO COc1ccc([C@H]2CC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000441535015 1042878416 /nfs/dbraw/zinc/87/84/16/1042878416.db2.gz OKBOXZCWPPBQGD-ZBFHGGJFSA-N 1 0 326.396 4.154 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000152534738 1042890156 /nfs/dbraw/zinc/89/01/56/1042890156.db2.gz IUBGNLWNEFBXHQ-IRXDYDNUSA-N 1 0 339.439 4.080 20 5 EIBDRO Cc1cccnc1[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000520609563 1042932146 /nfs/dbraw/zinc/93/21/46/1042932146.db2.gz JKIBMHBDDAUBAQ-SJLPKXTDSA-N 1 0 325.412 4.272 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000132767467 1043051331 /nfs/dbraw/zinc/05/13/31/1043051331.db2.gz HDOCFRFDEGSZCM-INIZCTEOSA-N 1 0 339.439 4.223 20 5 EIBDRO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489028181 1043226636 /nfs/dbraw/zinc/22/66/36/1043226636.db2.gz UXZODMRWVOXXMN-MRXNPFEDSA-N 1 0 348.834 4.233 20 5 EIBDRO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163349107 1043228619 /nfs/dbraw/zinc/22/86/19/1043228619.db2.gz YXOMDHRDYOVHJQ-STQMWFEESA-N 1 0 332.375 4.463 20 5 EIBDRO CCOC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000427863746 1043239710 /nfs/dbraw/zinc/23/97/10/1043239710.db2.gz JCSMWBJJFIXWGG-STQMWFEESA-N 1 0 334.441 4.399 20 5 EIBDRO Cc1ccc(C[NH2+][C@@H](C)COc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000521830770 1043244116 /nfs/dbraw/zinc/24/41/16/1043244116.db2.gz SOKAOPSALYPJCL-INIZCTEOSA-N 1 0 328.412 4.077 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CC=CCC3)cs2)c1 ZINC000113329217 1043264182 /nfs/dbraw/zinc/26/41/82/1043264182.db2.gz QULNINLKQVFVKA-ZDUSSCGKSA-N 1 0 329.425 4.164 20 5 EIBDRO CC[C@@H]([NH2+][C@H]1CCc2c1cccc2OC)c1cccc([N+](=O)[O-])c1 ZINC000161614760 1043763690 /nfs/dbraw/zinc/76/36/90/1043763690.db2.gz ODBJBPMAMZMHEH-MSOLQXFVSA-N 1 0 326.396 4.332 20 5 EIBDRO C[NH+](C)Cc1ccc(CNc2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000301863401 1043833012 /nfs/dbraw/zinc/83/30/12/1043833012.db2.gz GLESZQPAUXOINA-UHFFFAOYSA-N 1 0 337.782 4.061 20 5 EIBDRO CC(C)([NH2+]CCCOCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429238206 1043840286 /nfs/dbraw/zinc/84/02/86/1043840286.db2.gz QFWQGBXJBLZYHZ-UHFFFAOYSA-N 1 0 328.412 4.026 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CCC(C(F)F)CC1 ZINC000442840811 1043862589 /nfs/dbraw/zinc/86/25/89/1043862589.db2.gz DWUUNAAGNCSCJI-UHFFFAOYSA-N 1 0 332.778 4.204 20 5 EIBDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000494638720 1043868745 /nfs/dbraw/zinc/86/87/45/1043868745.db2.gz WIYKQJGTIAUHKQ-CLCXKQKWSA-N 1 0 328.412 4.330 20 5 EIBDRO Cc1cc(C[NH+](C)C)cc(N[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000521643734 1043873054 /nfs/dbraw/zinc/87/30/54/1043873054.db2.gz MMIYDWMMNTZAAQ-SFHVURJKSA-N 1 0 325.412 4.064 20 5 EIBDRO COc1cc(C[NH2+][C@H](C)c2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000442882999 1043881672 /nfs/dbraw/zinc/88/16/72/1043881672.db2.gz UAXWBINIPSGNMS-GFCCVEGCSA-N 1 0 326.352 4.200 20 5 EIBDRO C[C@H]([NH2+]CCCCOCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173366090 1043922035 /nfs/dbraw/zinc/92/20/35/1043922035.db2.gz WXHBGRZWNXDNCP-INIZCTEOSA-N 1 0 328.412 4.242 20 5 EIBDRO CO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@@H](C)C1 ZINC000443065982 1043984484 /nfs/dbraw/zinc/98/44/84/1043984484.db2.gz BRIURUOONOGOSR-KBPBESRZSA-N 1 0 346.452 4.323 20 5 EIBDRO Cc1ccc(C[NH2+][C@H](C)COc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000521830771 1043999130 /nfs/dbraw/zinc/99/91/30/1043999130.db2.gz SOKAOPSALYPJCL-MRXNPFEDSA-N 1 0 328.412 4.077 20 5 EIBDRO CC(C)([NH2+]Cc1cnc(-c2ccco2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000193141039 1044006036 /nfs/dbraw/zinc/00/60/36/1044006036.db2.gz YLAKJKPMALEXKM-UHFFFAOYSA-N 1 0 343.408 4.336 20 5 EIBDRO CC(C)[C@H](c1ccccc1)[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000732979014 1044056885 /nfs/dbraw/zinc/05/68/85/1044056885.db2.gz BNDWFXQXTJRTQY-LJQANCHMSA-N 1 0 338.411 4.231 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000443203859 1044092297 /nfs/dbraw/zinc/09/22/97/1044092297.db2.gz NFAJAJBPPSOCRE-GUYCJALGSA-N 1 0 344.386 4.168 20 5 EIBDRO CC(C)Oc1cccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000080347321 1044156906 /nfs/dbraw/zinc/15/69/06/1044156906.db2.gz NHWPBURLDJSXLW-UHFFFAOYSA-N 1 0 328.412 4.407 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000245977748 1044221153 /nfs/dbraw/zinc/22/11/53/1044221153.db2.gz AJSJHWMKOOZLFH-RZAIGCCYSA-N 1 0 346.814 4.429 20 5 EIBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000494789339 1044258632 /nfs/dbraw/zinc/25/86/32/1044258632.db2.gz ADRAERFHBWSGAN-RDTXWAMCSA-N 1 0 346.814 4.116 20 5 EIBDRO C[C@@H](O)CC(C)(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000174465581 1044276280 /nfs/dbraw/zinc/27/62/80/1044276280.db2.gz MCPDDOWBVOXRGV-CYBMUJFWSA-N 1 0 348.468 4.210 20 5 EIBDRO CC[C@@](C)([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000174502944 1044283397 /nfs/dbraw/zinc/28/33/97/1044283397.db2.gz TTXKTZRSCIWALO-UGAXZCSASA-N 1 0 331.441 4.288 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000466349065 1044304443 /nfs/dbraw/zinc/30/44/43/1044304443.db2.gz YVRUFQINQJEFMS-LEUOFYLZSA-N 1 0 332.444 4.149 20 5 EIBDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000766208895 1044486513 /nfs/dbraw/zinc/48/65/13/1044486513.db2.gz AKEKJQBAMFJRHJ-GFCCVEGCSA-N 1 0 334.803 4.017 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000509624142 1044518505 /nfs/dbraw/zinc/51/85/05/1044518505.db2.gz ZVRDVQCPRBKRCN-UHFFFAOYSA-N 1 0 328.412 4.407 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](SC)C(C)(C)C)cc1[N+](=O)[O-] ZINC000543427118 1044585413 /nfs/dbraw/zinc/58/54/13/1044585413.db2.gz FIKDNGCLMSUQRN-BLLLJJGKSA-N 1 0 340.489 4.422 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](SC)C(C)(C)C)cc1[N+](=O)[O-] ZINC000543427124 1044585591 /nfs/dbraw/zinc/58/55/91/1044585591.db2.gz FIKDNGCLMSUQRN-WBMJQRKESA-N 1 0 340.489 4.422 20 5 EIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)CC3 ZINC000495007262 1044590429 /nfs/dbraw/zinc/59/04/29/1044590429.db2.gz IOTXTHSSAATSBS-MRXNPFEDSA-N 1 0 349.434 4.074 20 5 EIBDRO C[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)C ZINC000734508333 1044591186 /nfs/dbraw/zinc/59/11/86/1044591186.db2.gz ILQMOESGYJFTIE-LBPRGKRZSA-N 1 0 333.457 4.490 20 5 EIBDRO CC(C)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC1CCC1 ZINC000193210201 1044766625 /nfs/dbraw/zinc/76/66/25/1044766625.db2.gz JSAJQJYPIVIYFI-UHFFFAOYSA-N 1 0 343.427 4.303 20 5 EIBDRO COc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1SC ZINC000922543250 1044811157 /nfs/dbraw/zinc/81/11/57/1044811157.db2.gz OUJGQQPDKHASBI-GFCCVEGCSA-N 1 0 332.425 4.176 20 5 EIBDRO Cc1nc2c(s1)[C@H]([N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-])CCC2 ZINC000093364892 1044833700 /nfs/dbraw/zinc/83/37/00/1044833700.db2.gz MZXOWNKYICRHEQ-DBWMJRBXSA-N 1 0 343.452 4.382 20 5 EIBDRO C[C@H](CCOCc1ccccc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000389933661 1044846554 /nfs/dbraw/zinc/84/65/54/1044846554.db2.gz GQTGDRJWBBQOFE-CVEARBPZSA-N 1 0 328.412 4.241 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000154972473 1044853711 /nfs/dbraw/zinc/85/37/11/1044853711.db2.gz QDGCQOISVMWAJQ-RHSMWYFYSA-N 1 0 345.468 4.144 20 5 EIBDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000735875160 1044871445 /nfs/dbraw/zinc/87/14/45/1044871445.db2.gz ZTUWBWSHVDMMOZ-GOSISDBHSA-N 1 0 343.402 4.137 20 5 EIBDRO CC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccn1 ZINC000124807555 1044894244 /nfs/dbraw/zinc/89/42/44/1044894244.db2.gz SLKFKAGGTMCYAW-UHFFFAOYSA-N 1 0 337.379 4.272 20 5 EIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Cc1ccccn1 ZINC000543619933 1044961301 /nfs/dbraw/zinc/96/13/01/1044961301.db2.gz OKHRDTHQOARLKI-UHFFFAOYSA-N 1 0 339.420 4.350 20 5 EIBDRO COc1ccc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000495368723 1044977901 /nfs/dbraw/zinc/97/79/01/1044977901.db2.gz JTLMAQHNKVWJED-LBPRGKRZSA-N 1 0 334.803 4.150 20 5 EIBDRO COc1cccc2c1CC[C@H]2[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000495374893 1045006501 /nfs/dbraw/zinc/00/65/01/1045006501.db2.gz UDQZFOFPKJCEOB-MRXNPFEDSA-N 1 0 346.814 4.076 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2cnn(C[NH+]3CCC4(CCCC4)CC3)c2)cc1 ZINC000738284229 1045049113 /nfs/dbraw/zinc/04/91/13/1045049113.db2.gz ZNYXPUXYFMNCLK-UHFFFAOYSA-N 1 0 340.427 4.072 20 5 EIBDRO Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193349634 1045049304 /nfs/dbraw/zinc/04/93/04/1045049304.db2.gz LSVXVKVJANCREA-RTBURBONSA-N 1 0 338.407 4.394 20 5 EIBDRO CCc1cnc(CCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)s1 ZINC000302147804 1045163704 /nfs/dbraw/zinc/16/37/04/1045163704.db2.gz HBWYQMTYDPYQRQ-UHFFFAOYSA-N 1 0 342.424 4.125 20 5 EIBDRO Cc1noc(C)c1C[C@H](C)Nc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302208021 1045167810 /nfs/dbraw/zinc/16/78/10/1045167810.db2.gz XPEXWJJSKNATDU-JTQLQIEISA-N 1 0 340.383 4.099 20 5 EIBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000302834324 1045202837 /nfs/dbraw/zinc/20/28/37/1045202837.db2.gz TVRAGHBEIXIOIK-AWEZNQCLSA-N 1 0 337.851 4.011 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000611392286 1045297060 /nfs/dbraw/zinc/29/70/60/1045297060.db2.gz PTHXYBVMIGOROE-DJJJIMSYSA-N 1 0 326.396 4.017 20 5 EIBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCCCC1 ZINC000611433650 1045308786 /nfs/dbraw/zinc/30/87/86/1045308786.db2.gz HPTDUEMPXUJADB-MRXNPFEDSA-N 1 0 347.459 4.180 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCc2ccc(Cl)cc2)c1 ZINC000035368169 1045421756 /nfs/dbraw/zinc/42/17/56/1045421756.db2.gz ODUKRAFLMNZJRM-UHFFFAOYSA-N 1 0 325.195 4.234 20 5 EIBDRO COc1ccc([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C2CC2)cc1 ZINC000194014108 1045569051 /nfs/dbraw/zinc/56/90/51/1045569051.db2.gz WDRCXUYKCXUMGT-IBGZPJMESA-N 1 0 326.396 4.153 20 5 EIBDRO C[C@H]([NH2+]Cc1ccccc1N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000194061299 1045598881 /nfs/dbraw/zinc/59/88/81/1045598881.db2.gz ZEORSEBGOFZVJY-INIZCTEOSA-N 1 0 339.439 4.436 20 5 EIBDRO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000767823502 1045647337 /nfs/dbraw/zinc/64/73/37/1045647337.db2.gz MAVKSHLBQADCCJ-KRWDZBQOSA-N 1 0 348.830 4.021 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccccc2F)c([N+](=O)[O-])c1 ZINC001170297754 1045982460 /nfs/dbraw/zinc/98/24/60/1045982460.db2.gz RLNMCISOJKJRNN-CHWSQXEVSA-N 1 0 332.375 4.024 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]C2(c3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 ZINC001170304688 1045984282 /nfs/dbraw/zinc/98/42/82/1045984282.db2.gz FSQCUVXHLLBADF-HNNXBMFYSA-N 1 0 340.423 4.122 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]CCCCc2ccccc2)c([N+](=O)[O-])c1 ZINC001170318342 1045995596 /nfs/dbraw/zinc/99/55/96/1045995596.db2.gz PJUDIYKDFDJAJT-MRXNPFEDSA-N 1 0 342.439 4.147 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]CC2(CC3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001170324681 1045998466 /nfs/dbraw/zinc/99/84/66/1045998466.db2.gz SBBDUYHDWLITGF-AWEZNQCLSA-N 1 0 332.444 4.094 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]CC2(CC3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001170324685 1045998929 /nfs/dbraw/zinc/99/89/29/1045998929.db2.gz SBBDUYHDWLITGF-CQSZACIVSA-N 1 0 332.444 4.094 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]CC(C)(C)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC001170328079 1046002777 /nfs/dbraw/zinc/00/27/77/1046002777.db2.gz USRSVTDDUVMPIY-LLVKDONJSA-N 1 0 348.365 4.103 20 5 EIBDRO COc1ccc(C[C@@H](C)[N@H+](C)Cc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001170341222 1046019448 /nfs/dbraw/zinc/01/94/48/1046019448.db2.gz HEHVZFKIWSHYAY-CYBMUJFWSA-N 1 0 348.830 4.320 20 5 EIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCc3ccccc3CC2)ccc1Cl ZINC001170342228 1046019768 /nfs/dbraw/zinc/01/97/68/1046019768.db2.gz JNLVQNFXORQLHM-UHFFFAOYSA-N 1 0 330.815 4.239 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792911382 1046104555 /nfs/dbraw/zinc/10/45/55/1046104555.db2.gz XBOWPQKWGOMALE-HONMWMINSA-N 1 0 329.227 4.172 20 5 EIBDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000747100360 1046136737 /nfs/dbraw/zinc/13/67/37/1046136737.db2.gz ZATZZHCKYQLTKH-GJZGRUSLSA-N 1 0 328.412 4.194 20 5 EIBDRO c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000770303684 1046176695 /nfs/dbraw/zinc/17/66/95/1046176695.db2.gz IPGGPHZVTKCETO-GOTSBHOMSA-N 1 0 347.458 4.373 20 5 EIBDRO c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000770303689 1046176724 /nfs/dbraw/zinc/17/67/24/1046176724.db2.gz IPGGPHZVTKCETO-PKTZIBPZSA-N 1 0 347.458 4.373 20 5 EIBDRO COC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000193276540 1046217412 /nfs/dbraw/zinc/21/74/12/1046217412.db2.gz JWNJOEDWIHKNKQ-MRXNPFEDSA-N 1 0 334.803 4.034 20 5 EIBDRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)C(C)C ZINC000508778562 1046568719 /nfs/dbraw/zinc/56/87/19/1046568719.db2.gz MWBRRKONMXXALU-UHFFFAOYSA-N 1 0 341.411 4.077 20 5 EIBDRO Cc1ccc(CN2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000536661132 1046627887 /nfs/dbraw/zinc/62/78/87/1046627887.db2.gz JQSCYLJETKWLMI-IFXJQAMLSA-N 1 0 344.386 4.004 20 5 EIBDRO CC(C)([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCOCC1 ZINC000785601056 1046717145 /nfs/dbraw/zinc/71/71/45/1046717145.db2.gz HCJNXPUHNLUCHA-UHFFFAOYSA-N 1 0 344.411 4.150 20 5 EIBDRO CSc1ccc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1F ZINC000536838795 1046813643 /nfs/dbraw/zinc/81/36/43/1046813643.db2.gz KFZMGDWMEVMHBA-LBPRGKRZSA-N 1 0 334.416 4.349 20 5 EIBDRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000536842298 1046815609 /nfs/dbraw/zinc/81/56/09/1046815609.db2.gz XTYDISDCPIINPH-CABCVRRESA-N 1 0 328.412 4.133 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000536843155 1046817055 /nfs/dbraw/zinc/81/70/55/1046817055.db2.gz CVETXHZGYVNJBG-GOEBONIOSA-N 1 0 343.402 4.054 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCc1ccccn1 ZINC000536846671 1046817587 /nfs/dbraw/zinc/81/75/87/1046817587.db2.gz RNTCIPNDZZBCGR-OAHLLOKOSA-N 1 0 345.468 4.083 20 5 EIBDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000536860395 1046828392 /nfs/dbraw/zinc/82/83/92/1046828392.db2.gz YPPWLJHHTFPRHH-GFCCVEGCSA-N 1 0 349.456 4.213 20 5 EIBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1Cl ZINC000536879847 1046842562 /nfs/dbraw/zinc/84/25/62/1046842562.db2.gz UOJCDFKHBVELFA-OLZOCXBDSA-N 1 0 334.803 4.366 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000536912138 1046862813 /nfs/dbraw/zinc/86/28/13/1046862813.db2.gz YBWJZYIYTOJCIA-QJNYJZHLSA-N 1 0 326.396 4.199 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccc(C[NH+](C)C)c(F)c1 ZINC000786816059 1046876154 /nfs/dbraw/zinc/87/61/54/1046876154.db2.gz ASNGEWLIBILOKR-NTEUORMPSA-N 1 0 343.402 4.311 20 5 EIBDRO CCOc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000459786398 1046889327 /nfs/dbraw/zinc/88/93/27/1046889327.db2.gz LFTFCHPMECDRTO-GFCCVEGCSA-N 1 0 334.803 4.498 20 5 EIBDRO COc1cc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC001170481927 1046900158 /nfs/dbraw/zinc/90/01/58/1046900158.db2.gz YHPZIEWSKUTCKJ-HNNXBMFYSA-N 1 0 344.386 4.122 20 5 EIBDRO COc1ccc(C[N@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)cc1F ZINC000787405868 1047005451 /nfs/dbraw/zinc/00/54/51/1047005451.db2.gz FVJKTSKHSCXBPA-NTEUORMPSA-N 1 0 344.386 4.278 20 5 EIBDRO CC(C)(C)[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000154491295 1047080084 /nfs/dbraw/zinc/08/00/84/1047080084.db2.gz BMARVUHXPOXGKD-QZTJIDSGSA-N 1 0 328.412 4.005 20 5 EIBDRO CC(C)(C)[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000154491402 1047080898 /nfs/dbraw/zinc/08/08/98/1047080898.db2.gz BMARVUHXPOXGKD-MSOLQXFVSA-N 1 0 328.412 4.005 20 5 EIBDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001170084546 1047185041 /nfs/dbraw/zinc/18/50/41/1047185041.db2.gz BWZIUQKAQXUIBP-BEFAXECRSA-N 1 0 326.396 4.057 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788574422 1047236264 /nfs/dbraw/zinc/23/62/64/1047236264.db2.gz TWBGFSMRLAEIDN-CYBMUJFWSA-N 1 0 327.428 4.325 20 5 EIBDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001170086830 1047243958 /nfs/dbraw/zinc/24/39/58/1047243958.db2.gz YGVYBKCNKCESCQ-YJBOKZPZSA-N 1 0 326.396 4.057 20 5 EIBDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000788624395 1047253321 /nfs/dbraw/zinc/25/33/21/1047253321.db2.gz YCINMHFSQQZSEN-GDIGMMSISA-N 1 0 328.412 4.004 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C(C)C)[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000788625255 1047254361 /nfs/dbraw/zinc/25/43/61/1047254361.db2.gz ZPSXIJOHWXMGDJ-UFYCRDLUSA-N 1 0 342.439 4.394 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000788755785 1047286923 /nfs/dbraw/zinc/28/69/23/1047286923.db2.gz GZXPLUSWPTYYLP-VXGBXAGGSA-N 1 0 325.368 4.335 20 5 EIBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC001170096235 1047356264 /nfs/dbraw/zinc/35/62/64/1047356264.db2.gz VEQYOMLZYVTTKN-HBYGRHMLSA-N 1 0 341.249 4.272 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000122015795 1047414992 /nfs/dbraw/zinc/41/49/92/1047414992.db2.gz SLXVGEBGBDRBKU-KBPBESRZSA-N 1 0 342.395 4.086 20 5 EIBDRO COc1cccc(C2=CC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000476268814 1047440930 /nfs/dbraw/zinc/44/09/30/1047440930.db2.gz MLBGVWOAOZIMBW-HNNXBMFYSA-N 1 0 338.407 4.454 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000609287793 1047692620 /nfs/dbraw/zinc/69/26/20/1047692620.db2.gz TZORYKWSTOCCGY-GFCCVEGCSA-N 1 0 343.349 4.042 20 5 EIBDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000808761314 1048087358 /nfs/dbraw/zinc/08/73/58/1048087358.db2.gz LQAKPTNLPTZTJH-KRWDZBQOSA-N 1 0 332.375 4.326 20 5 EIBDRO C[C@H](CSC(C)(C)C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000808729149 1048092021 /nfs/dbraw/zinc/09/20/21/1048092021.db2.gz VALBQXGTJFCJCB-GFCCVEGCSA-N 1 0 335.473 4.128 20 5 EIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844436972 1048334630 /nfs/dbraw/zinc/33/46/30/1048334630.db2.gz JVPSVNOLHLNGJY-INIZCTEOSA-N 1 0 340.370 4.003 20 5 EIBDRO CCC[N@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809734752 1048483590 /nfs/dbraw/zinc/48/35/90/1048483590.db2.gz PYDIGZRSQSXYRS-UHFFFAOYSA-N 1 0 333.819 4.098 20 5 EIBDRO CCOc1ccccc1[C@H](CC)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815572696 1048536294 /nfs/dbraw/zinc/53/62/94/1048536294.db2.gz KVUOIUUFDMEUKQ-DYVFJYSZSA-N 1 0 343.427 4.378 20 5 EIBDRO C[C@@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627518 1048550465 /nfs/dbraw/zinc/55/04/65/1048550465.db2.gz CJCJGSWRTOUAMX-NEPJUHHUSA-N 1 0 327.375 4.043 20 5 EIBDRO C[C@]1(CCCO)CCCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809969730 1048576182 /nfs/dbraw/zinc/57/61/82/1048576182.db2.gz ZJUHGHZHRICYIG-OAHLLOKOSA-N 1 0 347.242 4.029 20 5 EIBDRO CO[C@@H](C)C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)C ZINC000809949023 1048580225 /nfs/dbraw/zinc/58/02/25/1048580225.db2.gz WAHPYFMQSJYRSZ-JTQLQIEISA-N 1 0 335.231 4.147 20 5 EIBDRO CCN(Cc1ccccn1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809953472 1048580770 /nfs/dbraw/zinc/58/07/70/1048580770.db2.gz JOZBYBWPDLTKRT-UHFFFAOYSA-N 1 0 340.210 4.319 20 5 EIBDRO O[C@@]1(CC[NH2+]Cc2c3ccccc3cc3ccccc32)CCCOC1 ZINC000846111583 1048813862 /nfs/dbraw/zinc/81/38/62/1048813862.db2.gz UIEMKEJWCBFARA-JOCHJYFZSA-N 1 0 335.447 4.014 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC1(O)CCCCCC1 ZINC000811480635 1049076031 /nfs/dbraw/zinc/07/60/31/1049076031.db2.gz AWRZQUPWURNDSB-UHFFFAOYSA-N 1 0 347.242 4.077 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCOc1ccccc1 ZINC000811471385 1049090481 /nfs/dbraw/zinc/09/04/81/1049090481.db2.gz ADPRKFDEIZYSIN-UHFFFAOYSA-N 1 0 341.194 4.070 20 5 EIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000609704430 1049274366 /nfs/dbraw/zinc/27/43/66/1049274366.db2.gz ZRQOVNWBGDQIMO-AWEZNQCLSA-N 1 0 343.402 4.371 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3ccccc3F)CC2)cc1 ZINC000609895442 1049388061 /nfs/dbraw/zinc/38/80/61/1049388061.db2.gz UUHQHULIMHKNIG-UHFFFAOYSA-N 1 0 328.387 4.156 20 5 EIBDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000609902144 1049390763 /nfs/dbraw/zinc/39/07/63/1049390763.db2.gz KUZZEDPUCWOPJY-SCLBCKFNSA-N 1 0 348.830 4.422 20 5 EIBDRO CCCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H](C)C1 ZINC001170683707 1049541656 /nfs/dbraw/zinc/54/16/56/1049541656.db2.gz SZZXNQUQSCGXAB-LZQZEXGQSA-N 1 0 334.460 4.309 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cccc(OC)c1 ZINC000773036154 1049543327 /nfs/dbraw/zinc/54/33/27/1049543327.db2.gz MYLCQUNTTZTYEM-QGZVFWFLSA-N 1 0 334.803 4.498 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C)[C@@H](O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000773040872 1049550268 /nfs/dbraw/zinc/55/02/68/1049550268.db2.gz OVOFHOUSIHFIHT-FASAQXTFSA-N 1 0 346.402 4.287 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000773138506 1049603330 /nfs/dbraw/zinc/60/33/30/1049603330.db2.gz LPGJVIJRQBZTPM-XUWVNRHRSA-N 1 0 338.498 4.015 20 5 EIBDRO CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812851313 1049614010 /nfs/dbraw/zinc/61/40/10/1049614010.db2.gz YCJOVMXPRVUHDU-FZKQIMNGSA-N 1 0 348.830 4.192 20 5 EIBDRO C[C@H](CSc1ccccc1)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001171772411 1049794129 /nfs/dbraw/zinc/79/41/29/1049794129.db2.gz MZXDBCNGXNYUTP-CYBMUJFWSA-N 1 0 334.416 4.347 20 5 EIBDRO C[C@@H]([NH2+]CCCO[C@@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000216752509 1049864493 /nfs/dbraw/zinc/86/44/93/1049864493.db2.gz IAEQYTHVYJNMQG-CVEARBPZSA-N 1 0 328.412 4.413 20 5 EIBDRO CC(C)OCCCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180461261 1049897991 /nfs/dbraw/zinc/89/79/91/1049897991.db2.gz VNZBELKCSIVANA-HXUWFJFHSA-N 1 0 342.439 4.479 20 5 EIBDRO CCOc1ccc([C@@H]2C[C@H]2[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC001203149367 1049961162 /nfs/dbraw/zinc/96/11/62/1049961162.db2.gz JWLXMJQDRLGBBU-PKOBYXMFSA-N 1 0 340.423 4.256 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1F ZINC001172898740 1050203725 /nfs/dbraw/zinc/20/37/25/1050203725.db2.gz IVQMMCNUZJICQE-CZUORRHYSA-N 1 0 328.387 4.332 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1nccc3ccccc31)CC2 ZINC001172901859 1050205221 /nfs/dbraw/zinc/20/52/21/1050205221.db2.gz QJAZRHLKEWEZMN-GOSISDBHSA-N 1 0 347.418 4.180 20 5 EIBDRO [NH3+]Cc1cccc2ccn([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)c21 ZINC001172903626 1050205460 /nfs/dbraw/zinc/20/54/60/1050205460.db2.gz RWVWRIWQHOFCQJ-SFHVURJKSA-N 1 0 335.407 4.128 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc3ccoc3c1)CC2 ZINC001172901752 1050205739 /nfs/dbraw/zinc/20/57/39/1050205739.db2.gz KLZDAQIBBQOHFP-GOSISDBHSA-N 1 0 336.391 4.378 20 5 EIBDRO C[N@H+](CCc1cccc(F)c1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913894 1050231119 /nfs/dbraw/zinc/23/11/19/1050231119.db2.gz VNHXRFBUSVYVJI-IBGZPJMESA-N 1 0 342.414 4.156 20 5 EIBDRO C[N@H+](CCc1cccs1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172915138 1050231294 /nfs/dbraw/zinc/23/12/94/1050231294.db2.gz LQCSSDHGTRJDDZ-MRXNPFEDSA-N 1 0 330.453 4.078 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@H]1c1nccs1)CC2 ZINC001172920987 1050234294 /nfs/dbraw/zinc/23/42/94/1050234294.db2.gz NFEHZQREECSRBT-RDJZCZTQSA-N 1 0 343.452 4.136 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@@H](C(F)(F)F)C1)CC2 ZINC001172910874 1050245467 /nfs/dbraw/zinc/24/54/67/1050245467.db2.gz PRKKOEIEGDOPBD-CABCVRRESA-N 1 0 342.361 4.117 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000090844941 1050285902 /nfs/dbraw/zinc/28/59/02/1050285902.db2.gz JLDFJXQDWVNYGZ-VBQJREDUSA-N 1 0 326.396 4.119 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)cc1[N+](=O)[O-] ZINC000618197842 1050305289 /nfs/dbraw/zinc/30/52/89/1050305289.db2.gz HNLGNAWTPVZZKD-QGZVFWFLSA-N 1 0 340.423 4.071 20 5 EIBDRO CCC[N@H+]([C@@H](C)CC)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184199 1050336663 /nfs/dbraw/zinc/33/66/63/1050336663.db2.gz LWMPVTJAJRFYLD-STQMWFEESA-N 1 0 326.412 4.184 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)c2cccc(C)c2)c1F ZINC001173180919 1050336781 /nfs/dbraw/zinc/33/67/81/1050336781.db2.gz ZOXSFBDFPNZCGI-KGLIPLIRSA-N 1 0 346.402 4.333 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)c2ccccc2C)c1F ZINC001173191177 1050337072 /nfs/dbraw/zinc/33/70/72/1050337072.db2.gz JXIFTNQPLCOCBD-KBPBESRZSA-N 1 0 346.402 4.333 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H]2CCC(C)(C)C2)c1F ZINC001173180501 1050337114 /nfs/dbraw/zinc/33/71/14/1050337114.db2.gz RBFZZZALWKMPTB-OLZOCXBDSA-N 1 0 338.423 4.089 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)CCC(C)C)c1F ZINC001173188548 1050337328 /nfs/dbraw/zinc/33/73/28/1050337328.db2.gz KUZJTHTZOHOOAN-QWHCGFSZSA-N 1 0 326.412 4.088 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)[C@H]2CC[C@H](C)CC2)c1F ZINC001173194654 1050340205 /nfs/dbraw/zinc/34/02/05/1050340205.db2.gz XRZKCYMRUUKYMU-MGPQQGTHSA-N 1 0 338.423 4.184 20 5 EIBDRO C[N@H+](Cc1ccccc1)C1(CNc2sccc2[N+](=O)[O-])CCC1 ZINC001186516628 1050348818 /nfs/dbraw/zinc/34/88/18/1050348818.db2.gz AKPZNZQDNZZRAV-UHFFFAOYSA-N 1 0 331.441 4.123 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCOc1cccc(Cl)c1 ZINC001173215619 1050349879 /nfs/dbraw/zinc/34/98/79/1050349879.db2.gz XKWZMEGUMSYCLC-AWEZNQCLSA-N 1 0 348.830 4.238 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC001173219102 1050353219 /nfs/dbraw/zinc/35/32/19/1050353219.db2.gz XDFCWBWBBPRAKE-IERDGZPVSA-N 1 0 347.418 4.300 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1ccc(Cl)cn1)C1CC1 ZINC001173228230 1050356168 /nfs/dbraw/zinc/35/61/68/1050356168.db2.gz IDZPINIYMHFZSB-XIKOKIGWSA-N 1 0 345.830 4.315 20 5 EIBDRO Cc1ccc2cccc(C[NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)c2n1 ZINC001173229386 1050356694 /nfs/dbraw/zinc/35/66/94/1050356694.db2.gz TXNMRJBCAYAPRX-HNNXBMFYSA-N 1 0 335.407 4.172 20 5 EIBDRO C[NH2+]CCc1cn([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC001173230992 1050359443 /nfs/dbraw/zinc/35/94/43/1050359443.db2.gz IAONOHNQJYJJCV-HNNXBMFYSA-N 1 0 337.423 4.115 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2c1cccc2Cl ZINC001173232059 1050359522 /nfs/dbraw/zinc/35/95/22/1050359522.db2.gz CNXPDEJSNINGEW-SGTLLEGYSA-N 1 0 330.815 4.456 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001178326183 1050447216 /nfs/dbraw/zinc/44/72/16/1050447216.db2.gz CZCHGJSHUFIYRM-GOSISDBHSA-N 1 0 344.842 4.328 20 5 EIBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001187014309 1050459112 /nfs/dbraw/zinc/45/91/12/1050459112.db2.gz PDLQCHUOVDXZIS-NSHDSACASA-N 1 0 345.365 4.146 20 5 EIBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001187034835 1050473855 /nfs/dbraw/zinc/47/38/55/1050473855.db2.gz OCWGAYQDMVZXTC-LBPRGKRZSA-N 1 0 345.365 4.146 20 5 EIBDRO COC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCCC1 ZINC001178524255 1050491614 /nfs/dbraw/zinc/49/16/14/1050491614.db2.gz HKAMLBBWZCLEIY-UHFFFAOYSA-N 1 0 344.411 4.294 20 5 EIBDRO CCC(CC)(CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001178554100 1050504494 /nfs/dbraw/zinc/50/44/94/1050504494.db2.gz VPRKDDMUAFHTEO-UHFFFAOYSA-N 1 0 348.468 4.354 20 5 EIBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC001178610662 1050517374 /nfs/dbraw/zinc/51/73/74/1050517374.db2.gz RIKSCZKIWRAXOA-UHFFFAOYSA-N 1 0 338.363 4.312 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc3cnccc3c2)C2CC2)cc1 ZINC000618809082 1050536528 /nfs/dbraw/zinc/53/65/28/1050536528.db2.gz ZGZBPOJANYEYFM-UHFFFAOYSA-N 1 0 333.391 4.308 20 5 EIBDRO Cc1ccc(F)c(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC001178730888 1050540797 /nfs/dbraw/zinc/54/07/97/1050540797.db2.gz IUAPTYZNKJGNKO-UHFFFAOYSA-N 1 0 330.403 4.498 20 5 EIBDRO CCC(C)(C)OCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001178881785 1050577255 /nfs/dbraw/zinc/57/72/55/1050577255.db2.gz LEFFLOIUWZXBBV-UHFFFAOYSA-N 1 0 332.400 4.150 20 5 EIBDRO CC[C@H](Cc1cn(C)c2ccccc12)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001179315038 1050673081 /nfs/dbraw/zinc/67/30/81/1050673081.db2.gz IOHFPZXUPQMXRR-QGZVFWFLSA-N 1 0 337.423 4.197 20 5 EIBDRO C[C@@H]([NH2+]Cc1cnc2c(F)cccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC001179574914 1050721022 /nfs/dbraw/zinc/72/10/22/1050721022.db2.gz JGGRLNLKMMJJHK-GFCCVEGCSA-N 1 0 325.343 4.133 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)o1 ZINC001179602949 1050729855 /nfs/dbraw/zinc/72/98/55/1050729855.db2.gz OMXDTZSIENCWJB-JJRVBVJISA-N 1 0 326.396 4.381 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CCC(C)(C)CO1 ZINC001179686394 1050748143 /nfs/dbraw/zinc/74/81/43/1050748143.db2.gz XLKISJXTSMPHSF-OTMARIDSSA-N 1 0 332.444 4.183 20 5 EIBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000182594341 1050759794 /nfs/dbraw/zinc/75/97/94/1050759794.db2.gz PUYZOHUSQHHFGE-DLBZAZTESA-N 1 0 334.803 4.023 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1Cl ZINC001179952074 1050830126 /nfs/dbraw/zinc/83/01/26/1050830126.db2.gz OEIMLDINXYJVJU-OAHLLOKOSA-N 1 0 348.805 4.452 20 5 EIBDRO CC1CCC([N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000170906125 1050851999 /nfs/dbraw/zinc/85/19/99/1050851999.db2.gz ABIAZJGZYBSXQO-UHFFFAOYSA-N 1 0 343.427 4.303 20 5 EIBDRO CCO[C@@H]1C[C@H]([N@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC001180132856 1050881667 /nfs/dbraw/zinc/88/16/67/1050881667.db2.gz NROXLBCEIQWAHL-GYVFVFFDSA-N 1 0 344.455 4.278 20 5 EIBDRO Cc1nn(C(C)C)c(C)c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001180177783 1050895496 /nfs/dbraw/zinc/89/54/96/1050895496.db2.gz FYZGMZDDUZJCCU-UHFFFAOYSA-N 1 0 344.459 4.400 20 5 EIBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CS1 ZINC001180349474 1050963985 /nfs/dbraw/zinc/96/39/85/1050963985.db2.gz MCZHUHMUYOJJBN-HIFRSBDPSA-N 1 0 342.892 4.301 20 5 EIBDRO CC(C)c1ccc(C[N@H+](C)C[C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000183255729 1051038059 /nfs/dbraw/zinc/03/80/59/1051038059.db2.gz VAJPCOOJGDZDMA-CYBMUJFWSA-N 1 0 333.457 4.410 20 5 EIBDRO C[C@@H](c1ccccc1Cl)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001190418255 1051179050 /nfs/dbraw/zinc/17/90/50/1051179050.db2.gz YBDHJRUNZLGLGC-ZDUSSCGKSA-N 1 0 334.803 4.320 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3CC3CCCCC3)nc2c1 ZINC001190642590 1051241042 /nfs/dbraw/zinc/24/10/42/1051241042.db2.gz DWQNQWWMODDVLK-HNNXBMFYSA-N 1 0 342.443 4.406 20 5 EIBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC001191269802 1051413373 /nfs/dbraw/zinc/41/33/73/1051413373.db2.gz WUXOVEMABPSGJI-SFHVURJKSA-N 1 0 342.439 4.235 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC001182184368 1051414927 /nfs/dbraw/zinc/41/49/27/1051414927.db2.gz OBDUYFNTRYNXBG-HNNXBMFYSA-N 1 0 340.345 4.378 20 5 EIBDRO C[S@](=O)c1ccc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cc1 ZINC001175481370 1051609386 /nfs/dbraw/zinc/60/93/86/1051609386.db2.gz DUUZBHJFHVVUHC-VWLOTQADSA-N 1 0 347.443 4.451 20 5 EIBDRO CC[C@H](Cc1ccccc1)[N@H+](CC)CCOc1cccc([N+](=O)[O-])c1 ZINC001192107414 1051631750 /nfs/dbraw/zinc/63/17/50/1051631750.db2.gz HOSLLNKQNPMITD-GOSISDBHSA-N 1 0 342.439 4.317 20 5 EIBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)c([N+](=O)[O-])cc1F ZINC001192139698 1051648864 /nfs/dbraw/zinc/64/88/64/1051648864.db2.gz JRAFZICFMXQKJO-UKRRQHHQSA-N 1 0 338.423 4.437 20 5 EIBDRO O=[N+]([O-])c1cc(F)ccc1CN(Cc1ccccc1F)C1CCC1 ZINC001192216037 1051666555 /nfs/dbraw/zinc/66/65/55/1051666555.db2.gz YMXNHTDIXFDKGP-UHFFFAOYSA-N 1 0 332.350 4.428 20 5 EIBDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001192756967 1051811275 /nfs/dbraw/zinc/81/12/75/1051811275.db2.gz KALOZNBVFODGDO-OAHLLOKOSA-N 1 0 344.411 4.112 20 5 EIBDRO CC[C@H]([NH2+]Cc1cnc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 ZINC001192803221 1051812993 /nfs/dbraw/zinc/81/29/93/1051812993.db2.gz QBEBLAYUMFNRJH-SFHVURJKSA-N 1 0 337.379 4.491 20 5 EIBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1CCCC12CCC2 ZINC001183533463 1051863880 /nfs/dbraw/zinc/86/38/80/1051863880.db2.gz LNGHJUDCLZYKPY-AWEZNQCLSA-N 1 0 339.233 4.170 20 5 EIBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCCC12CCC2 ZINC001183533466 1051864812 /nfs/dbraw/zinc/86/48/12/1051864812.db2.gz LNGHJUDCLZYKPY-CQSZACIVSA-N 1 0 339.233 4.170 20 5 EIBDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C12CCCCC2 ZINC001183788618 1051899181 /nfs/dbraw/zinc/89/91/81/1051899181.db2.gz MPTYFCNZMSPKFT-QGTPRVQTSA-N 1 0 332.444 4.373 20 5 EIBDRO CC(C)c1cccc2c1CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC001194042793 1052059980 /nfs/dbraw/zinc/05/99/80/1052059980.db2.gz ZQJNRLZAIJKLFD-UHFFFAOYSA-N 1 0 340.423 4.155 20 5 EIBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC001194166100 1052094710 /nfs/dbraw/zinc/09/47/10/1052094710.db2.gz XBRRNKQCBGDCCW-GHMZBOCLSA-N 1 0 341.249 4.272 20 5 EIBDRO CCC(CC)[C@@H](CNc1ccc(C(C)=O)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001184740589 1052096988 /nfs/dbraw/zinc/09/69/88/1052096988.db2.gz RSLDPCVBBHNCIN-LJQANCHMSA-N 1 0 347.459 4.110 20 5 EIBDRO C[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001184839439 1052114612 /nfs/dbraw/zinc/11/46/12/1052114612.db2.gz IXXDHQLMLKPSLI-RYUDHWBXSA-N 1 0 345.365 4.146 20 5 EIBDRO CCC[N@@H+]1CC[C@@H](CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001185028741 1052155897 /nfs/dbraw/zinc/15/58/97/1052155897.db2.gz KXUUQNIOCVBKBI-JTQLQIEISA-N 1 0 332.231 4.045 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000184779176 1052198085 /nfs/dbraw/zinc/19/80/85/1052198085.db2.gz QMMWLPBXLWRHLS-FNORWQNLSA-N 1 0 348.406 4.082 20 5 EIBDRO CC[C@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000090918534 1052782791 /nfs/dbraw/zinc/78/27/91/1052782791.db2.gz PQQJTGFXTHVCKP-IRXDYDNUSA-N 1 0 330.432 4.137 20 5 EIBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001194953612 1053199023 /nfs/dbraw/zinc/19/90/23/1053199023.db2.gz QJFHXWBJZIIOKN-ACJLOTCBSA-N 1 0 329.400 4.308 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cccc(OC(C)C)c1 ZINC000850424022 1053201800 /nfs/dbraw/zinc/20/18/00/1053201800.db2.gz FTPVMNLDAWGHFN-AWEZNQCLSA-N 1 0 344.411 4.241 20 5 EIBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001195136565 1053287133 /nfs/dbraw/zinc/28/71/33/1053287133.db2.gz NWPIHYLRMPLQKI-ZIAGYGMSSA-N 1 0 347.242 4.339 20 5 EIBDRO CCC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000764749029 1053290114 /nfs/dbraw/zinc/29/01/14/1053290114.db2.gz OFAQKXBAULIRAE-ZWKOTPCHSA-N 1 0 348.830 4.413 20 5 EIBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001195156822 1053307608 /nfs/dbraw/zinc/30/76/08/1053307608.db2.gz ZORVMXAICLARRW-ZWKOTPCHSA-N 1 0 325.412 4.148 20 5 EIBDRO Cc1c(C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC001195256805 1053348847 /nfs/dbraw/zinc/34/88/47/1053348847.db2.gz CQFKONKELBFJCU-QGZVFWFLSA-N 1 0 346.377 4.389 20 5 EIBDRO C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(F)c1 ZINC000765361813 1053516475 /nfs/dbraw/zinc/51/64/75/1053516475.db2.gz YHAIMZJUVIDJBL-KUHUBIRLSA-N 1 0 342.414 4.448 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000852783115 1053612684 /nfs/dbraw/zinc/61/26/84/1053612684.db2.gz WUDXLXHANDNZPP-KGLIPLIRSA-N 1 0 326.396 4.332 20 5 EIBDRO CCCCC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001196329489 1053640670 /nfs/dbraw/zinc/64/06/70/1053640670.db2.gz PFKBUYIVFNSFAZ-HNNXBMFYSA-N 1 0 335.404 4.438 20 5 EIBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866607702 1053802359 /nfs/dbraw/zinc/80/23/59/1053802359.db2.gz AUOVWLFXTASAGH-ZLKJLUDKSA-N 1 0 346.324 4.152 20 5 EIBDRO Cc1cc(C)c(N2C[C@H](CC[NH3+])c3ccccc32)c(C)c1[N+](=O)[O-] ZINC001168548902 1053810223 /nfs/dbraw/zinc/81/02/23/1053810223.db2.gz JUWTVTIQDPMSGC-HNNXBMFYSA-N 1 0 325.412 4.104 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000121901189 1053855328 /nfs/dbraw/zinc/85/53/28/1053855328.db2.gz YUBGZGJTXZEFQW-ROUUACIJSA-N 1 0 344.411 4.056 20 5 EIBDRO Cc1cc(NC2CC[NH+](C(C)(C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301423664 1053923297 /nfs/dbraw/zinc/92/32/97/1053923297.db2.gz ARLMNOMHCMYTFR-UHFFFAOYSA-N 1 0 325.840 4.231 20 5 EIBDRO C[C@H]([NH2+]CCc1nsc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001197659754 1053960649 /nfs/dbraw/zinc/96/06/49/1053960649.db2.gz JTDWBUHGILYHES-LBPRGKRZSA-N 1 0 327.409 4.098 20 5 EIBDRO COc1cc(C)c([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000173322223 1054023461 /nfs/dbraw/zinc/02/34/61/1054023461.db2.gz ZYIOWKYYVSYCKD-KGLIPLIRSA-N 1 0 344.411 4.332 20 5 EIBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC001198010203 1054044806 /nfs/dbraw/zinc/04/48/06/1054044806.db2.gz FSYOHCVUIMZTHZ-MAUKXSAKSA-N 1 0 340.423 4.372 20 5 EIBDRO Cc1csc(C[C@H]2CC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC001198084065 1054067414 /nfs/dbraw/zinc/06/74/14/1054067414.db2.gz FRFUFICSFDMOJA-LSDHHAIUSA-N 1 0 345.468 4.294 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000856805300 1054113555 /nfs/dbraw/zinc/11/35/55/1054113555.db2.gz MLOJULZCVUCOJA-YLBKJLTLSA-N 1 0 329.227 4.172 20 5 EIBDRO C[C@@]1(Cc2cccs2)CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC001198299036 1054118020 /nfs/dbraw/zinc/11/80/20/1054118020.db2.gz CQFRERXIYYTBOQ-KRWDZBQOSA-N 1 0 334.416 4.393 20 5 EIBDRO C[C@]1(Cc2cccs2)CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC001198300401 1054120104 /nfs/dbraw/zinc/12/01/04/1054120104.db2.gz NBLBMTALGRITMO-QGZVFWFLSA-N 1 0 334.416 4.393 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC000857083256 1054176846 /nfs/dbraw/zinc/17/68/46/1054176846.db2.gz VRQRECGUJVMYJK-ZIAGYGMSSA-N 1 0 343.254 4.089 20 5 EIBDRO CN(C)c1ccc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000775881186 1054202215 /nfs/dbraw/zinc/20/22/15/1054202215.db2.gz PDLCGUORULEVEY-UHFFFAOYSA-N 1 0 339.439 4.040 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049639 1054361183 /nfs/dbraw/zinc/36/11/83/1054361183.db2.gz UMBQRISCAQSVQY-KBPBESRZSA-N 1 0 336.407 4.266 20 5 EIBDRO C[C@@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000872060561 1054370274 /nfs/dbraw/zinc/37/02/74/1054370274.db2.gz RAVAHPHTKNTQMY-ILXRZTDVSA-N 1 0 349.450 4.038 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)c1nccs1 ZINC000872062752 1054372304 /nfs/dbraw/zinc/37/23/04/1054372304.db2.gz OXJKNUCFVHLKAZ-QWRGUYRKSA-N 1 0 337.470 4.228 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)c1ccccn1 ZINC000872085648 1054383523 /nfs/dbraw/zinc/38/35/23/1054383523.db2.gz QDXJMNWAHHLENG-QWHCGFSZSA-N 1 0 331.441 4.166 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC1SCCS1 ZINC000872087437 1054385036 /nfs/dbraw/zinc/38/50/36/1054385036.db2.gz DRRLPHYNYFKBKP-SNVBAGLBSA-N 1 0 344.527 4.164 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](c1ccccc1)[C@H](C)O ZINC000872088256 1054385190 /nfs/dbraw/zinc/38/51/90/1054385190.db2.gz NBWGHMAPJPTBIZ-LXIYXOSZSA-N 1 0 346.452 4.089 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872094157 1054388062 /nfs/dbraw/zinc/38/80/62/1054388062.db2.gz ZFVYWOFCHJGDFW-HOSYDEDBSA-N 1 0 332.297 4.282 20 5 EIBDRO Cc1ccc(C[NH2+]CCOc2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC001199571267 1054426243 /nfs/dbraw/zinc/42/62/43/1054426243.db2.gz LRYCJGXNNLFBFA-UHFFFAOYSA-N 1 0 328.412 4.195 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)cc1Cl ZINC000872259355 1054427987 /nfs/dbraw/zinc/42/79/87/1054427987.db2.gz UFVHDNFZGCSUIY-OAHLLOKOSA-N 1 0 338.835 4.172 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](c1cccnc1)C(C)C ZINC001200911292 1054572728 /nfs/dbraw/zinc/57/27/28/1054572728.db2.gz OCAZYGYVDGIOQN-QGZVFWFLSA-N 1 0 327.428 4.136 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CC2CCC2)c2ccccc2)cc1 ZINC000776155946 1054755023 /nfs/dbraw/zinc/75/50/23/1054755023.db2.gz JMASVLNVFOEFBZ-PMACEKPBSA-N 1 0 340.423 4.149 20 5 EIBDRO C[C@]1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCS1 ZINC001201408004 1054779558 /nfs/dbraw/zinc/77/95/58/1054779558.db2.gz OZCKPUVNPVUBHG-QGZVFWFLSA-N 1 0 332.425 4.230 20 5 EIBDRO CC(C)(C)C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000876930619 1054982804 /nfs/dbraw/zinc/98/28/04/1054982804.db2.gz CAHNCFBMMQOXPL-LEOMRAHMSA-N 1 0 342.443 4.262 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCCC[C@H]2c2ccccc2)cc1 ZINC000776279762 1055153894 /nfs/dbraw/zinc/15/38/94/1055153894.db2.gz YUOPUQMZTAEIDG-VQTJNVASSA-N 1 0 340.423 4.246 20 5 EIBDRO C[C@H](c1cc2ccccc2o1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776280464 1055155228 /nfs/dbraw/zinc/15/52/28/1055155228.db2.gz ZXWCSKWPLMDGPT-CXAGYDPISA-N 1 0 340.379 4.067 20 5 EIBDRO CC(C)C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCCC1 ZINC000878010258 1055173554 /nfs/dbraw/zinc/17/35/54/1055173554.db2.gz LZMXZFZJICJMSU-UHFFFAOYSA-N 1 0 344.415 4.045 20 5 EIBDRO CC[C@H](C)[C@@H](C)[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000878057914 1055181783 /nfs/dbraw/zinc/18/17/83/1055181783.db2.gz RDQKAGGDKYZORV-QWHCGFSZSA-N 1 0 344.415 4.044 20 5 EIBDRO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000542701151 1055843023 /nfs/dbraw/zinc/84/30/23/1055843023.db2.gz ZNRGLAAJIHZRFG-GOSISDBHSA-N 1 0 326.396 4.249 20 5 EIBDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765844884 1055845836 /nfs/dbraw/zinc/84/58/36/1055845836.db2.gz KFCPGCIWMFEKMJ-DYVFJYSZSA-N 1 0 340.379 4.034 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273464587 1055862556 /nfs/dbraw/zinc/86/25/56/1055862556.db2.gz IGYSAZTWESMPEO-PKOBYXMFSA-N 1 0 344.386 4.052 20 5 EIBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000273502633 1055889836 /nfs/dbraw/zinc/88/98/36/1055889836.db2.gz PJXPSQSQNKPHSP-HKUYNNGSSA-N 1 0 344.386 4.052 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000273507699 1055890705 /nfs/dbraw/zinc/89/07/05/1055890705.db2.gz ZWUPOEJFHZWSRL-SOVGHPHASA-N 1 0 344.386 4.305 20 5 EIBDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000273511902 1055890766 /nfs/dbraw/zinc/89/07/66/1055890766.db2.gz OQEXYSIXBVLSAU-OLZOCXBDSA-N 1 0 340.832 4.084 20 5 EIBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273538508 1055921428 /nfs/dbraw/zinc/92/14/28/1055921428.db2.gz SOTFAEKNILFVLU-PKOBYXMFSA-N 1 0 344.386 4.086 20 5 EIBDRO C[C@@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000273708987 1056088661 /nfs/dbraw/zinc/08/86/61/1056088661.db2.gz DXUJHTPKPIXBQA-MYWSLZCHSA-N 1 0 340.423 4.076 20 5 EIBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000743869610 1059184602 /nfs/dbraw/zinc/18/46/02/1059184602.db2.gz SKFQPYOPDHNFNX-OCCSQVGLSA-N 1 0 328.865 4.354 20 5 EIBDRO C[C@@H]([NH2+]CCc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000746049207 1059984315 /nfs/dbraw/zinc/98/43/15/1059984315.db2.gz MKUGOWDQHKXWJG-GFCCVEGCSA-N 1 0 349.228 4.251 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2Oc2ccccc2)C1 ZINC001168969934 1060561260 /nfs/dbraw/zinc/56/12/60/1060561260.db2.gz GOAHJUPVQNVFLV-DOTOQJQBSA-N 1 0 326.396 4.014 20 5 EIBDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001168967987 1060561444 /nfs/dbraw/zinc/56/14/44/1060561444.db2.gz CNYGAIQBSMRECL-HXUWFJFHSA-N 1 0 340.423 4.071 20 5 EIBDRO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987463 1060582647 /nfs/dbraw/zinc/58/26/47/1060582647.db2.gz IVYJWITXOOZINL-DFBGVHRSSA-N 1 0 345.270 4.350 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCC3CCCCC3)c2)C1 ZINC001168988389 1060587037 /nfs/dbraw/zinc/58/70/37/1060587037.db2.gz RUFSFCKOEOHNKG-RTBURBONSA-N 1 0 346.471 4.181 20 5 EIBDRO C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047470 1060603306 /nfs/dbraw/zinc/60/33/06/1060603306.db2.gz RFGBGFIEVOMLJA-FVFSHSICSA-N 1 0 348.446 4.308 20 5 EIBDRO Cc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046344 1060603546 /nfs/dbraw/zinc/60/35/46/1060603546.db2.gz KVMJBFIQLQNIHT-RDJZCZTQSA-N 1 0 341.455 4.035 20 5 EIBDRO CCC1(CC)CC[NH+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC001169431082 1060824805 /nfs/dbraw/zinc/82/48/05/1060824805.db2.gz UIYVMIAJWHITQB-UHFFFAOYSA-N 1 0 344.415 4.047 20 5 EIBDRO CC(=O)N1CC[C@@H]([N@H+](C)Cc2c3ccccc3cc3ccccc32)C1 ZINC001169556581 1060856609 /nfs/dbraw/zinc/85/66/09/1060856609.db2.gz RQLBFRZWAGBNGK-LJQANCHMSA-N 1 0 332.447 4.046 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000119707296 522914735 /nfs/dbraw/zinc/91/47/35/522914735.db2.gz NZMJVYXMYVJITQ-YVEFUNNKSA-N 1 0 329.356 4.305 20 5 EIBDRO C[C@H]([NH2+]CCSCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000532187699 1032076975 /nfs/dbraw/zinc/07/69/75/1032076975.db2.gz XRSJNAROXWXUSL-ZDUSSCGKSA-N 1 0 334.416 4.318 20 5 EIBDRO COc1ccc(OCCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000532207192 1032086667 /nfs/dbraw/zinc/08/66/67/1032086667.db2.gz MDQGTYFFUUYPNF-OAHLLOKOSA-N 1 0 344.411 4.032 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000532227364 1032106074 /nfs/dbraw/zinc/10/60/74/1032106074.db2.gz JBOJINDBQYDIQD-HUUCEWRRSA-N 1 0 326.396 4.120 20 5 EIBDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000532302805 1032140114 /nfs/dbraw/zinc/14/01/14/1032140114.db2.gz DSPFUXKZZATMOJ-WBMJQRKESA-N 1 0 331.441 4.387 20 5 EIBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001307494061 1032201807 /nfs/dbraw/zinc/20/18/07/1032201807.db2.gz CUGFEVHLMVLCHA-JSGCOSHPSA-N 1 0 328.865 4.354 20 5 EIBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000533289466 1032604252 /nfs/dbraw/zinc/60/42/52/1032604252.db2.gz LOZVYPZBSQJYEB-BBRMVZONSA-N 1 0 344.415 4.045 20 5 EIBDRO COCC1(C)CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000500708605 1032821356 /nfs/dbraw/zinc/82/13/56/1032821356.db2.gz HOFRRDPURFJGCL-UHFFFAOYSA-N 1 0 344.411 4.103 20 5 EIBDRO COc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610216033 1019387436 /nfs/dbraw/zinc/38/74/36/1019387436.db2.gz DVUGPMRKZXBFST-YJBOKZPZSA-N 1 0 340.423 4.229 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000572664950 1032866765 /nfs/dbraw/zinc/86/67/65/1032866765.db2.gz RBPMHJHGSKWCEL-UHFFFAOYSA-N 1 0 332.350 4.253 20 5 EIBDRO CC[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000246994350 1020322273 /nfs/dbraw/zinc/32/22/73/1020322273.db2.gz GIUUGRTTXMDZKM-ZIAGYGMSSA-N 1 0 344.415 4.218 20 5 EIBDRO C[N@@H+]1CCC[C@H](CNc2ccsc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000610281327 1020966161 /nfs/dbraw/zinc/96/61/61/1020966161.db2.gz MWHWVYQXOJYLIN-RISCZKNCSA-N 1 0 337.470 4.213 20 5 EIBDRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083168914 1021021211 /nfs/dbraw/zinc/02/12/11/1021021211.db2.gz VWEGWJMNKSTQIM-QGZVFWFLSA-N 1 0 337.379 4.382 20 5 EIBDRO [NH3+]Cc1cnc2c(ccn2-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC001167313766 1021057233 /nfs/dbraw/zinc/05/72/33/1021057233.db2.gz NHFBIGSHPHLHSC-UHFFFAOYSA-N 1 0 344.374 4.059 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000180010839 1021306640 /nfs/dbraw/zinc/30/66/40/1021306640.db2.gz BGDFYWIYFABRJQ-CYBMUJFWSA-N 1 0 329.400 4.018 20 5 EIBDRO COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000610341772 1021332651 /nfs/dbraw/zinc/33/26/51/1021332651.db2.gz SKEXOBGQUUKHBC-AWEZNQCLSA-N 1 0 328.412 4.232 20 5 EIBDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000610345647 1021351051 /nfs/dbraw/zinc/35/10/51/1021351051.db2.gz UHHQSJPVAVEXHI-DZGCQCFKSA-N 1 0 348.468 4.210 20 5 EIBDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000610345648 1021351838 /nfs/dbraw/zinc/35/18/38/1021351838.db2.gz UHHQSJPVAVEXHI-HIFRSBDPSA-N 1 0 348.468 4.210 20 5 EIBDRO CSc1cc(C)ccc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580094661 1021637936 /nfs/dbraw/zinc/63/79/36/1021637936.db2.gz RKTRLUHXIWHEMM-INIZCTEOSA-N 1 0 328.437 4.402 20 5 EIBDRO CCC[N@H+](CCc1cccc(F)c1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001167367320 1021756830 /nfs/dbraw/zinc/75/68/30/1021756830.db2.gz HOKLWBGFGIKUGG-UHFFFAOYSA-N 1 0 334.366 4.328 20 5 EIBDRO C[C@@H](CCc1ccsc1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000581034744 1021824297 /nfs/dbraw/zinc/82/42/97/1021824297.db2.gz AUCILNRSHNYJJW-ZDUSSCGKSA-N 1 0 343.452 4.291 20 5 EIBDRO Cc1nc2c(s1)[C@H]([N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-])CCC2 ZINC000255524105 1022029555 /nfs/dbraw/zinc/02/95/55/1022029555.db2.gz MZXOWNKYICRHEQ-BQLWYNFJSA-N 1 0 343.452 4.382 20 5 EIBDRO CCc1ccc([C@H]([NH2+]C[C@H](C)CCOC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414182099 1022049892 /nfs/dbraw/zinc/04/98/92/1022049892.db2.gz AMIYRJSPCKVYCY-AUUYWEPGSA-N 1 0 346.427 4.102 20 5 EIBDRO CCOCCCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180163737 1022091625 /nfs/dbraw/zinc/09/16/25/1022091625.db2.gz RUGIQHDZPCZCQO-IBGZPJMESA-N 1 0 328.412 4.091 20 5 EIBDRO CC(C)CC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001167906749 1033030740 /nfs/dbraw/zinc/03/07/40/1033030740.db2.gz ZRIOQRKVSHQAAL-OAHLLOKOSA-N 1 0 335.404 4.294 20 5 EIBDRO CC(C)[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 ZINC000102768822 1022166713 /nfs/dbraw/zinc/16/67/13/1022166713.db2.gz APJKVZUMBXHHJA-UHFFFAOYSA-N 1 0 334.416 4.004 20 5 EIBDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000549037501 1022202304 /nfs/dbraw/zinc/20/23/04/1022202304.db2.gz HHJZUZDCGBSARR-KZULUSFZSA-N 1 0 344.386 4.389 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000177791253 1022210617 /nfs/dbraw/zinc/21/06/17/1022210617.db2.gz RXHIZTSHMUYHQM-QWHCGFSZSA-N 1 0 328.368 4.044 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnccc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000414233650 1022240962 /nfs/dbraw/zinc/24/09/62/1022240962.db2.gz RNNFOQKCXCACLH-CQSZACIVSA-N 1 0 327.428 4.447 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnccc1C(C)(C)C ZINC000414235259 1022242997 /nfs/dbraw/zinc/24/29/97/1022242997.db2.gz UAQCLYXUAWHCEA-CQSZACIVSA-N 1 0 327.428 4.008 20 5 EIBDRO CC[C@@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000414275792 1022376082 /nfs/dbraw/zinc/37/60/82/1022376082.db2.gz UNKYPJKSHHBXDP-CHWSQXEVSA-N 1 0 332.366 4.484 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000414282955 1022400489 /nfs/dbraw/zinc/40/04/89/1022400489.db2.gz OMFWQHKYRSWMSY-MNOVXSKESA-N 1 0 334.338 4.233 20 5 EIBDRO COc1ccc([C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000120194235 1022455957 /nfs/dbraw/zinc/45/59/57/1022455957.db2.gz FKXHFIPGLJEIGH-ORAYPTAESA-N 1 0 326.396 4.405 20 5 EIBDRO COCC1CCC([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000414301773 1022457260 /nfs/dbraw/zinc/45/72/60/1022457260.db2.gz BVIZHVVKWUVWBH-JZRYZNKLSA-N 1 0 346.471 4.101 20 5 EIBDRO CC(C)(C)[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001167698729 1022690518 /nfs/dbraw/zinc/69/05/18/1022690518.db2.gz BTVVPENHUSSQPS-SFHVURJKSA-N 1 0 328.412 4.351 20 5 EIBDRO CC(C)(C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000583096174 1022753244 /nfs/dbraw/zinc/75/32/44/1022753244.db2.gz YJJLOWSQJZGPKJ-OCCSQVGLSA-N 1 0 344.377 4.484 20 5 EIBDRO CCOc1cccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000180686494 1022787233 /nfs/dbraw/zinc/78/72/33/1022787233.db2.gz AETJISCPVDWCJP-LBPRGKRZSA-N 1 0 334.803 4.498 20 5 EIBDRO CCC[C@@H]([NH2+][C@@H](C)c1ccncc1OC)c1cccc([N+](=O)[O-])c1 ZINC000188795963 1022853549 /nfs/dbraw/zinc/85/35/49/1022853549.db2.gz IBFAHAHBCKBIEE-SUMWQHHRSA-N 1 0 329.400 4.190 20 5 EIBDRO Cc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000189377077 1023055679 /nfs/dbraw/zinc/05/56/79/1023055679.db2.gz RLJFIAXYZSLYQS-WMLDXEAASA-N 1 0 326.396 4.386 20 5 EIBDRO CC(C)(C)c1ccncc1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414500479 1023251397 /nfs/dbraw/zinc/25/13/97/1023251397.db2.gz QHUIMBWSELAAHK-VURMDHGXSA-N 1 0 325.412 4.090 20 5 EIBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312994 1023258520 /nfs/dbraw/zinc/25/85/20/1023258520.db2.gz UJTQYUVVXZGZIU-XIKOKIGWSA-N 1 0 343.427 4.360 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc3cc[nH]c3n1)CCCC2 ZINC000417350309 1023276217 /nfs/dbraw/zinc/27/62/17/1023276217.db2.gz PIAXSFDJGRBOCN-GOSISDBHSA-N 1 0 336.395 4.028 20 5 EIBDRO CCC[C@@H]([NH2+][C@H]1COCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000417399933 1023307099 /nfs/dbraw/zinc/30/70/99/1023307099.db2.gz IWFIQSMRZKXYBN-MOPGFXCFSA-N 1 0 326.396 4.297 20 5 EIBDRO CC[C@@H](C)[C@H](C)[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000566519257 1023445774 /nfs/dbraw/zinc/44/57/74/1023445774.db2.gz IENNQEDZMBTLPV-HIFRSBDPSA-N 1 0 347.459 4.131 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC000418101784 1023534467 /nfs/dbraw/zinc/53/44/67/1023534467.db2.gz SINVDVALPIOATO-SFHVURJKSA-N 1 0 326.396 4.079 20 5 EIBDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000157895269 1023607268 /nfs/dbraw/zinc/60/72/68/1023607268.db2.gz MWOXVJLFRMEQPA-STQMWFEESA-N 1 0 330.432 4.267 20 5 EIBDRO CSc1ccc([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000500237683 1023609560 /nfs/dbraw/zinc/60/95/60/1023609560.db2.gz LOWKJHRLQCAKEX-ZDUSSCGKSA-N 1 0 332.425 4.046 20 5 EIBDRO COc1ccc2oc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cc2c1 ZINC000581693810 1023613284 /nfs/dbraw/zinc/61/32/84/1023613284.db2.gz PNCOGDGBKMRFKH-UHFFFAOYSA-N 1 0 340.379 4.024 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000468610924 1023667302 /nfs/dbraw/zinc/66/73/02/1023667302.db2.gz KVXWKLQQYTZSLU-HGZMWJMZSA-N 1 0 342.370 4.251 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](CO)c3ccccc32)cc1[N+](=O)[O-] ZINC000364405805 1023743837 /nfs/dbraw/zinc/74/38/37/1023743837.db2.gz YNSIFSZBRBKPRZ-KXBFYZLASA-N 1 0 340.423 4.029 20 5 EIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000549506633 1023814233 /nfs/dbraw/zinc/81/42/33/1023814233.db2.gz AILSGVYEISGXFI-OAHLLOKOSA-N 1 0 339.317 4.279 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)cc1[N+](=O)[O-] ZINC000500421752 1023815719 /nfs/dbraw/zinc/81/57/19/1023815719.db2.gz OVNMNYOHCDGHFF-GOSISDBHSA-N 1 0 332.444 4.157 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)c(Cl)c1 ZINC000500427364 1023821607 /nfs/dbraw/zinc/82/16/07/1023821607.db2.gz HVOXXIRSBMFFAO-CZUORRHYSA-N 1 0 345.830 4.459 20 5 EIBDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000566820620 1023827263 /nfs/dbraw/zinc/82/72/63/1023827263.db2.gz ROQSSRGAFPGBGX-BLLLJJGKSA-N 1 0 339.395 4.125 20 5 EIBDRO COc1cc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000101590918 1023871093 /nfs/dbraw/zinc/87/10/93/1023871093.db2.gz AMKPANXJWLQWIQ-CQSZACIVSA-N 1 0 344.411 4.241 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](c4cccnc4)C3)o2)cc1 ZINC000581944283 1023920465 /nfs/dbraw/zinc/92/04/65/1023920465.db2.gz AWNGSOBTYTWUMN-QGZVFWFLSA-N 1 0 349.390 4.239 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](c2ccccc2)C2CCC2)cc1[N+](=O)[O-] ZINC000104696809 1024470216 /nfs/dbraw/zinc/47/02/16/1024470216.db2.gz ZSOULBGHBIRIOZ-IBGZPJMESA-N 1 0 326.396 4.234 20 5 EIBDRO C[C@@H]([NH2+]Cc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000048817961 1024734708 /nfs/dbraw/zinc/73/47/08/1024734708.db2.gz CHQOMFVNJUUSLZ-LLVKDONJSA-N 1 0 335.201 4.208 20 5 EIBDRO C[C@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000610741096 1024804828 /nfs/dbraw/zinc/80/48/28/1024804828.db2.gz DQFZZCJVCWRFBN-ZIAGYGMSSA-N 1 0 346.452 4.228 20 5 EIBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000610783471 1024848300 /nfs/dbraw/zinc/84/83/00/1024848300.db2.gz XQRFNNJTNLNFIL-PXAZEXFGSA-N 1 0 334.803 4.287 20 5 EIBDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000510976442 1024872845 /nfs/dbraw/zinc/87/28/45/1024872845.db2.gz MLOPCGKTLDQAKN-SJCJKPOMSA-N 1 0 344.386 4.389 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000477938884 1024903355 /nfs/dbraw/zinc/90/33/55/1024903355.db2.gz PFQLAAGENHZQPE-XFQXTVEOSA-N 1 0 340.423 4.332 20 5 EIBDRO CCC[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000610805577 1024989533 /nfs/dbraw/zinc/98/95/33/1024989533.db2.gz KACUZFXKFHPWEQ-HXUWFJFHSA-N 1 0 339.439 4.041 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000121316864 1025196719 /nfs/dbraw/zinc/19/67/19/1025196719.db2.gz DEIDPZCVQIYFOX-ZIAGYGMSSA-N 1 0 344.411 4.332 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000121762634 1025284380 /nfs/dbraw/zinc/28/43/80/1025284380.db2.gz UHBWOXCVUVEKMY-QWHCGFSZSA-N 1 0 328.368 4.044 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000122016010 1025348136 /nfs/dbraw/zinc/34/81/36/1025348136.db2.gz SLXVGEBGBDRBKU-ZIAGYGMSSA-N 1 0 342.395 4.086 20 5 EIBDRO C[NH+](C)[C@@H](CNc1c(Cl)cccc1[N+](=O)[O-])c1ccsc1 ZINC000432329436 1025478791 /nfs/dbraw/zinc/47/87/91/1025478791.db2.gz PPPBXENNNYDSLD-ZDUSSCGKSA-N 1 0 325.821 4.025 20 5 EIBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000024928372 1025500134 /nfs/dbraw/zinc/50/01/34/1025500134.db2.gz OIWPSEPQVVAJSG-UHFFFAOYSA-N 1 0 347.440 4.059 20 5 EIBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000024107801 1025640105 /nfs/dbraw/zinc/64/01/05/1025640105.db2.gz RFUOMHMACUPLRX-MRXNPFEDSA-N 1 0 337.782 4.102 20 5 EIBDRO CC(C)c1ccc(CN[C@@H](C)c2c(F)cncc2F)cc1[N+](=O)[O-] ZINC000513047497 1025670463 /nfs/dbraw/zinc/67/04/63/1025670463.db2.gz SPPCYAZDJFPSRY-NSHDSACASA-N 1 0 335.354 4.242 20 5 EIBDRO CC(C)NC(=O)C[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC000061016614 1025824687 /nfs/dbraw/zinc/82/46/87/1025824687.db2.gz BSIDKNPKRQQRED-UHFFFAOYSA-N 1 0 340.854 4.261 20 5 EIBDRO Cc1c(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000071958736 1025884291 /nfs/dbraw/zinc/88/42/91/1025884291.db2.gz IYLGCVUBGQQBBW-IBGZPJMESA-N 1 0 340.423 4.084 20 5 EIBDRO COc1ccc(C[NH2+][C@H](C)CSc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000472130627 1025903805 /nfs/dbraw/zinc/90/38/05/1025903805.db2.gz PUCZLAUMRIFNCR-CQSZACIVSA-N 1 0 346.452 4.182 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(Cl)nc2)c2cc([N+](=O)[O-])ccc21 ZINC000279014717 1025955331 /nfs/dbraw/zinc/95/53/31/1025955331.db2.gz HFVWMXFNXKWEFG-OAHLLOKOSA-N 1 0 331.803 4.155 20 5 EIBDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279094653 1026069880 /nfs/dbraw/zinc/06/98/80/1026069880.db2.gz NSUSTEHQQLRWHB-GTNSWQLSSA-N 1 0 343.427 4.315 20 5 EIBDRO CC[NH+](CC)Cc1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])cc1 ZINC000434953570 1026178631 /nfs/dbraw/zinc/17/86/31/1026178631.db2.gz BXEYNXOXRKHVAD-UHFFFAOYSA-N 1 0 348.834 4.097 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000432500536 1026200962 /nfs/dbraw/zinc/20/09/62/1026200962.db2.gz IZAAZAVUJBSPLL-SJORKVTESA-N 1 0 339.439 4.162 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000158050356 1026201115 /nfs/dbraw/zinc/20/11/15/1026201115.db2.gz GIXFNWCZVFARBC-CVAIRZPRSA-N 1 0 340.423 4.474 20 5 EIBDRO COCC[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000279219231 1026215770 /nfs/dbraw/zinc/21/57/70/1026215770.db2.gz YVKHHFGCMXJNAV-DLBZAZTESA-N 1 0 344.411 4.278 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CC(c3ccc(Cl)cc3)C2)cc1 ZINC000319955917 1026320199 /nfs/dbraw/zinc/32/01/99/1026320199.db2.gz AKCTYEGJLNKWIE-UHFFFAOYSA-N 1 0 330.815 4.327 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)C1CC1 ZINC000151308774 1026325392 /nfs/dbraw/zinc/32/53/92/1026325392.db2.gz DXUPCWZYHSRPFT-HXUWFJFHSA-N 1 0 349.434 4.230 20 5 EIBDRO C[C@@H]1CCCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000512204281 1026461620 /nfs/dbraw/zinc/46/16/20/1026461620.db2.gz UTQRVIAHMYDMHI-CQSZACIVSA-N 1 0 329.400 4.057 20 5 EIBDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000507142205 1026659952 /nfs/dbraw/zinc/65/99/52/1026659952.db2.gz IYHSVUUBOHSXSQ-IBGZPJMESA-N 1 0 326.396 4.113 20 5 EIBDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000507142206 1026660332 /nfs/dbraw/zinc/66/03/32/1026660332.db2.gz IYHSVUUBOHSXSQ-LJQANCHMSA-N 1 0 326.396 4.113 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000050015628 1026680670 /nfs/dbraw/zinc/68/06/70/1026680670.db2.gz VESUXQFBDGUWOV-SECBINFHSA-N 1 0 341.230 4.270 20 5 EIBDRO COc1ccc([C@@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000512339358 1026740287 /nfs/dbraw/zinc/74/02/87/1026740287.db2.gz UMSLFHLANMFLBP-MJICGBHWSA-N 1 0 338.407 4.106 20 5 EIBDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000479480011 1026823187 /nfs/dbraw/zinc/82/31/87/1026823187.db2.gz MUCIJLJMGLGOGB-LPHOPBHVSA-N 1 0 342.439 4.283 20 5 EIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(F)(F)F ZINC000479618579 1026852125 /nfs/dbraw/zinc/85/21/25/1026852125.db2.gz XLLVMNGCVNAKNH-JTQLQIEISA-N 1 0 328.290 4.143 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178650721 1027094460 /nfs/dbraw/zinc/09/44/60/1027094460.db2.gz GUPILADYNLDVRY-UYAOXDASSA-N 1 0 342.439 4.192 20 5 EIBDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237388582 1027396149 /nfs/dbraw/zinc/39/61/49/1027396149.db2.gz AIOMQYLOOLOWLQ-MLGOLLRUSA-N 1 0 331.441 4.387 20 5 EIBDRO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]2CCCC[C@H]12 ZINC000543907231 1027442641 /nfs/dbraw/zinc/44/26/41/1027442641.db2.gz XNOQVEVQOJNUSC-XWIAVFTESA-N 1 0 341.411 4.260 20 5 EIBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001167624665 1027450082 /nfs/dbraw/zinc/45/00/82/1027450082.db2.gz DCXXELGZGRNHNK-BQYQJAHWSA-N 1 0 337.851 4.072 20 5 EIBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ccc([N+](=O)[O-])c2ccccc21 ZINC001167626238 1027489046 /nfs/dbraw/zinc/48/90/46/1027489046.db2.gz AQSNDFBENJYPKJ-UHFFFAOYSA-N 1 0 327.428 4.233 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000178685470 1027503744 /nfs/dbraw/zinc/50/37/44/1027503744.db2.gz SCJZLBWAEMSDRM-CHWSQXEVSA-N 1 0 329.356 4.223 20 5 EIBDRO CC[C@@H]([NH2+][C@@H]1CCCc2nc(C)sc21)c1cccc([N+](=O)[O-])c1 ZINC000161624714 1027649145 /nfs/dbraw/zinc/64/91/45/1027649145.db2.gz FWNGUKBRJPVZJS-GDBMZVCRSA-N 1 0 331.441 4.478 20 5 EIBDRO CCC1(O)CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000579268646 1027685081 /nfs/dbraw/zinc/68/50/81/1027685081.db2.gz MRSJSILTSNLMMF-UHFFFAOYSA-N 1 0 346.452 4.060 20 5 EIBDRO CCCOc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000178730709 1027774190 /nfs/dbraw/zinc/77/41/90/1027774190.db2.gz PYMOXRRSSSOMKW-AWEZNQCLSA-N 1 0 344.411 4.243 20 5 EIBDRO CC[C@H](Cc1ccccc1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582987639 1027809386 /nfs/dbraw/zinc/80/93/86/1027809386.db2.gz MASSSLWIKVFPBH-QGZVFWFLSA-N 1 0 337.423 4.230 20 5 EIBDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000444675374 1027958666 /nfs/dbraw/zinc/95/86/66/1027958666.db2.gz LWGOMLJRJCYQEH-CJNGLKHVSA-N 1 0 344.415 4.045 20 5 EIBDRO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(Cl)c1 ZINC000444678351 1027960741 /nfs/dbraw/zinc/96/07/41/1027960741.db2.gz WKJISXSIYBYWAG-AWEZNQCLSA-N 1 0 344.802 4.365 20 5 EIBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000536365482 1028157894 /nfs/dbraw/zinc/15/78/94/1028157894.db2.gz LHOJEYGQXNUHDY-XUWXXGDYSA-N 1 0 341.411 4.403 20 5 EIBDRO CC[NH+](CC)Cc1ccccc1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000248230386 1028432043 /nfs/dbraw/zinc/43/20/43/1028432043.db2.gz BIOPWGXHJBWSJC-UHFFFAOYSA-N 1 0 331.391 4.188 20 5 EIBDRO CCC[C@H]([NH2+]C[C@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000583491983 1028809248 /nfs/dbraw/zinc/80/92/48/1028809248.db2.gz KQHKPMNEPZUISQ-YJBOKZPZSA-N 1 0 326.396 4.202 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC000034994311 1029149998 /nfs/dbraw/zinc/14/99/98/1029149998.db2.gz RCBYMUHQCHIFNE-LLVKDONJSA-N 1 0 335.201 4.208 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(n2)CCCC3)cc1[N+](=O)[O-] ZINC000278446442 1029244630 /nfs/dbraw/zinc/24/46/30/1029244630.db2.gz LAOLAMUIDPUEJB-CQSZACIVSA-N 1 0 325.412 4.028 20 5 EIBDRO C[C@]1(O)CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000475342884 1029557635 /nfs/dbraw/zinc/55/76/35/1029557635.db2.gz MFXBJURSOVYDGC-SFHVURJKSA-N 1 0 346.452 4.060 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ccsc1Cl ZINC000480311241 1029829898 /nfs/dbraw/zinc/82/98/98/1029829898.db2.gz ZVORIPWOVYDSPM-UHFFFAOYSA-N 1 0 331.224 4.295 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000525779412 1030013810 /nfs/dbraw/zinc/01/38/10/1030013810.db2.gz HWLJIKJCLODYAR-OAHLLOKOSA-N 1 0 328.437 4.209 20 5 EIBDRO CCOc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447544787 1030147588 /nfs/dbraw/zinc/14/75/88/1030147588.db2.gz WGMXBPWSRLDXEI-IBGZPJMESA-N 1 0 326.396 4.161 20 5 EIBDRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447585595 1030186022 /nfs/dbraw/zinc/18/60/22/1030186022.db2.gz KTCGFUGGVHHATM-OALUTQOASA-N 1 0 338.407 4.312 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1COc2ccccc21 ZINC000447576106 1030203098 /nfs/dbraw/zinc/20/30/98/1030203098.db2.gz WKXKPMWBERMMKZ-FASAQXTFSA-N 1 0 338.407 4.127 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1ccc(F)c(F)c1)C1CC1 ZINC000526050268 1030232085 /nfs/dbraw/zinc/23/20/85/1030232085.db2.gz LULDJOFBSAULHD-SFHVURJKSA-N 1 0 346.377 4.026 20 5 EIBDRO CC(C)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000451109135 1030237566 /nfs/dbraw/zinc/23/75/66/1030237566.db2.gz XYTMSRIRKBTWMG-AWEZNQCLSA-N 1 0 341.411 4.008 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)c1cnn(C2CCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000925232831 1030271572 /nfs/dbraw/zinc/27/15/72/1030271572.db2.gz ZGXLYIBVZRXHIC-SCLBCKFNSA-N 1 0 328.416 4.318 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000526117326 1030289673 /nfs/dbraw/zinc/28/96/73/1030289673.db2.gz PLAPOFXNMSBTOX-IRXDYDNUSA-N 1 0 326.396 4.029 20 5 EIBDRO COc1ccc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000527294493 1030616479 /nfs/dbraw/zinc/61/64/79/1030616479.db2.gz DIEHLFVNKUKLOK-NTEUORMPSA-N 1 0 326.396 4.105 20 5 EIBDRO Cc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000610511624 1030829788 /nfs/dbraw/zinc/82/97/88/1030829788.db2.gz SJOPNAPIADADTD-KGLIPLIRSA-N 1 0 330.350 4.362 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000248873770 1030873630 /nfs/dbraw/zinc/87/36/30/1030873630.db2.gz QWCLOKPNJLKKIH-UCLAIMLFSA-N 1 0 326.396 4.166 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3ccncc3)s2)cc1 ZINC000532427425 1031046067 /nfs/dbraw/zinc/04/60/67/1031046067.db2.gz CAPQOHKMYGCFDR-UHFFFAOYSA-N 1 0 339.420 4.051 20 5 EIBDRO CC(C)OCc1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000532476196 1031185348 /nfs/dbraw/zinc/18/53/48/1031185348.db2.gz LDFCNWVRIPQGLQ-HNNXBMFYSA-N 1 0 328.412 4.371 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000532550673 1031268148 /nfs/dbraw/zinc/26/81/48/1031268148.db2.gz XZWMGAANQAJBOR-FZKQIMNGSA-N 1 0 347.846 4.202 20 5 EIBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H](C)Cc1ccsc1 ZINC000614604119 1031270119 /nfs/dbraw/zinc/27/01/19/1031270119.db2.gz VHAQNZMQTYCBBA-GFCCVEGCSA-N 1 0 345.424 4.251 20 5 EIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000449074121 1031430166 /nfs/dbraw/zinc/43/01/66/1031430166.db2.gz OWSIZCYLMMFATO-XGNXJENSSA-N 1 0 330.350 4.237 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000449099715 1031444766 /nfs/dbraw/zinc/44/47/66/1031444766.db2.gz OWDPSXZPGSSZIW-CDHQVMDDSA-N 1 0 340.423 4.036 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]CCCF)ccc1Oc1ccccc1Cl ZINC000532628288 1031444556 /nfs/dbraw/zinc/44/45/56/1031444556.db2.gz FMXOBKZYSYXGEX-UHFFFAOYSA-N 1 0 338.766 4.490 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccnn1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000449167897 1031488733 /nfs/dbraw/zinc/48/87/33/1031488733.db2.gz BYEGKHSVPJNTSX-GOSISDBHSA-N 1 0 328.416 4.147 20 5 EIBDRO Cc1cnc([C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000449174529 1031494195 /nfs/dbraw/zinc/49/41/95/1031494195.db2.gz YVBGJUPAYWYGGL-BZNIZROVSA-N 1 0 331.441 4.032 20 5 EIBDRO CCOc1cc(C)ccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531735904 1031516443 /nfs/dbraw/zinc/51/64/43/1031516443.db2.gz HHTZNZXIOZKGOB-HNNXBMFYSA-N 1 0 328.412 4.461 20 5 EIBDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449247820 1031564449 /nfs/dbraw/zinc/56/44/49/1031564449.db2.gz HONCEWNVBYOJFQ-KBPBESRZSA-N 1 0 344.459 4.137 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)cc1[N+](=O)[O-] ZINC000449348185 1031645514 /nfs/dbraw/zinc/64/55/14/1031645514.db2.gz FWXQOJPHBAZZOX-INIZCTEOSA-N 1 0 348.349 4.049 20 5 EIBDRO CC(F)(F)CCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449351812 1031649682 /nfs/dbraw/zinc/64/96/82/1031649682.db2.gz RTTNOMKCYOBYLF-ZFWWWQNUSA-N 1 0 326.387 4.331 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000612577464 1031672388 /nfs/dbraw/zinc/67/23/88/1031672388.db2.gz SDQSDZFXGMVKQJ-SFHVURJKSA-N 1 0 328.437 4.193 20 5 EIBDRO C[C@H](CCCO)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453280270 1031803330 /nfs/dbraw/zinc/80/33/30/1031803330.db2.gz REBFXRWYSNAIEH-KGLIPLIRSA-N 1 0 348.468 4.383 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000453324594 1031851016 /nfs/dbraw/zinc/85/10/16/1031851016.db2.gz UBDNOYFSYVJOTE-MAUKXSAKSA-N 1 0 332.444 4.375 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000531960913 1031877933 /nfs/dbraw/zinc/87/79/33/1031877933.db2.gz FIXSTHMQXPXMRN-LSDHHAIUSA-N 1 0 328.412 4.281 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2cccs2)C1)c1ccccc1[N+](=O)[O-] ZINC000453350539 1031878359 /nfs/dbraw/zinc/87/83/59/1031878359.db2.gz BPUORWJUOOPOGF-HEHGZKQESA-N 1 0 332.425 4.227 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000531960911 1031879070 /nfs/dbraw/zinc/87/90/70/1031879070.db2.gz FIXSTHMQXPXMRN-GJZGRUSLSA-N 1 0 328.412 4.281 20 5 EIBDRO COc1cccc([C@H]2C[C@H]([NH2+]C/C=C\c3ccccc3[N+](=O)[O-])C2)c1 ZINC000449615154 1031892708 /nfs/dbraw/zinc/89/27/08/1031892708.db2.gz KKAOXHBLGBMVRX-WFTLJUQPSA-N 1 0 338.407 4.152 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000453388157 1031898235 /nfs/dbraw/zinc/89/82/35/1031898235.db2.gz OZJWYXKPUYNKPM-JGGQBBKZSA-N 1 0 332.425 4.227 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CCC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000453434968 1031966154 /nfs/dbraw/zinc/96/61/54/1031966154.db2.gz TYTRAJNWPURAFF-NSHDSACASA-N 1 0 328.359 4.080 20 5 EIBDRO Cc1cccc([C@@H]2CCCN2Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000178684281 1033559325 /nfs/dbraw/zinc/55/93/25/1033559325.db2.gz QKCMHJGYKYDZRY-KRWDZBQOSA-N 1 0 331.803 4.289 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000512682937 1033699487 /nfs/dbraw/zinc/69/94/87/1033699487.db2.gz KRJCIMFYYYTHEW-DAXSKMNVSA-N 1 0 338.407 4.226 20 5 EIBDRO COc1ccc(F)cc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433062705 1033750081 /nfs/dbraw/zinc/75/00/81/1033750081.db2.gz PHGNEXBDIHWYQH-KRWDZBQOSA-N 1 0 344.386 4.255 20 5 EIBDRO C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000433083803 1033816290 /nfs/dbraw/zinc/81/62/90/1033816290.db2.gz PARHBEHXEHPCCH-DLBZAZTESA-N 1 0 339.439 4.162 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCc3c2cccc3O)c2cc([N+](=O)[O-])ccc21 ZINC000433125097 1033896083 /nfs/dbraw/zinc/89/60/83/1033896083.db2.gz IJLZCKPZNSZUAJ-MSOLQXFVSA-N 1 0 338.407 4.300 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1F ZINC000433146014 1033930665 /nfs/dbraw/zinc/93/06/65/1033930665.db2.gz JSUJJPZTMPRDDL-QGZVFWFLSA-N 1 0 344.386 4.255 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cnn(CC)c1 ZINC000453355772 1033947426 /nfs/dbraw/zinc/94/74/26/1033947426.db2.gz IRHWBQYYYWSDGW-UKRRQHHQSA-N 1 0 348.472 4.033 20 5 EIBDRO COc1cc(F)cc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433220230 1034067917 /nfs/dbraw/zinc/06/79/17/1034067917.db2.gz ORWSZIDQINNFAG-SFHVURJKSA-N 1 0 344.386 4.255 20 5 EIBDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000433282630 1034147885 /nfs/dbraw/zinc/14/78/85/1034147885.db2.gz MZGUIYWEKVUMMW-KKXDTOCCSA-N 1 0 332.444 4.110 20 5 EIBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C3CC3)cc2)c([N+](=O)[O-])cc1F ZINC000419335856 1034353103 /nfs/dbraw/zinc/35/31/03/1034353103.db2.gz KGNLMKVJZCDAFW-LBPRGKRZSA-N 1 0 344.386 4.471 20 5 EIBDRO CCC[C@@H]([NH2+][C@@H](C)Cc1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000120633133 1034664285 /nfs/dbraw/zinc/66/42/85/1034664285.db2.gz PBBGXNATNCWEAY-ORAYPTAESA-N 1 0 344.459 4.007 20 5 EIBDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000738312441 1034811569 /nfs/dbraw/zinc/81/15/69/1034811569.db2.gz OKNJWKLHEWEJSU-GJZGRUSLSA-N 1 0 328.387 4.420 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513406176 1034918658 /nfs/dbraw/zinc/91/86/58/1034918658.db2.gz NTRNBMUAAQOYJD-OAHLLOKOSA-N 1 0 343.402 4.007 20 5 EIBDRO CC[C@@H](COC)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237007753 1035327301 /nfs/dbraw/zinc/32/73/01/1035327301.db2.gz BCHPMCRIJZWSAG-HNNXBMFYSA-N 1 0 348.374 4.041 20 5 EIBDRO CCCn1nccc1C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000501561418 1035467571 /nfs/dbraw/zinc/46/75/71/1035467571.db2.gz LYPMBSGHMGZTHE-OAHLLOKOSA-N 1 0 342.443 4.142 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000595019845 1035508403 /nfs/dbraw/zinc/50/84/03/1035508403.db2.gz RABPGRMFTMOIAX-APPDUMDISA-N 1 0 330.359 4.081 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC3(CC3(F)F)CC2)c(Cl)c1 ZINC000594985643 1035518623 /nfs/dbraw/zinc/51/86/23/1035518623.db2.gz ZCEWMNMOSSXLEA-UHFFFAOYSA-N 1 0 330.762 4.306 20 5 EIBDRO CC[C@H]([NH2+][C@H](COC)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000595071023 1035554225 /nfs/dbraw/zinc/55/42/25/1035554225.db2.gz XIBKKRIRZOGZJX-RBUKOAKNSA-N 1 0 344.411 4.032 20 5 EIBDRO CCO[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000595039157 1035564747 /nfs/dbraw/zinc/56/47/47/1035564747.db2.gz DEZKBKFVQNSMCX-IFXJQAMLSA-N 1 0 344.411 4.032 20 5 EIBDRO CCO[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000595039158 1035565541 /nfs/dbraw/zinc/56/55/41/1035565541.db2.gz DEZKBKFVQNSMCX-KUHUBIRLSA-N 1 0 344.411 4.032 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000595039164 1035565698 /nfs/dbraw/zinc/56/56/98/1035565698.db2.gz DFVIDLFLBHYZNR-ZDUSSCGKSA-N 1 0 326.396 4.332 20 5 EIBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(OC)cc1 ZINC000574890080 1035574775 /nfs/dbraw/zinc/57/47/75/1035574775.db2.gz MXPHSMNPKFYMDC-ROUUACIJSA-N 1 0 326.396 4.332 20 5 EIBDRO CC1(C)OCC[C@@H]1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000595105399 1035589403 /nfs/dbraw/zinc/58/94/03/1035589403.db2.gz GCRBASWGPIQVCK-IEBWSBKVSA-N 1 0 340.423 4.089 20 5 EIBDRO CC(C)[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000595094096 1035603127 /nfs/dbraw/zinc/60/31/27/1035603127.db2.gz CLOFTLMLYWCDEK-GDIGMMSISA-N 1 0 328.412 4.004 20 5 EIBDRO COc1cc(C[NH2+][C@@H](c2ccccc2F)C(C)C)ccc1[N+](=O)[O-] ZINC000595686748 1035767324 /nfs/dbraw/zinc/76/73/24/1035767324.db2.gz BDVLKHNTSVOGOO-GOSISDBHSA-N 1 0 332.375 4.229 20 5 EIBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000026720078 1035780485 /nfs/dbraw/zinc/78/04/85/1035780485.db2.gz SGEULDAPQZTFEO-CQSZACIVSA-N 1 0 325.821 4.025 20 5 EIBDRO COc1cc(C[NH2+][C@]2(c3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000595908105 1035805200 /nfs/dbraw/zinc/80/52/00/1035805200.db2.gz FUTCWYLYSRNBPQ-IBGZPJMESA-N 1 0 326.396 4.018 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]Cc2cnccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000596117440 1035821858 /nfs/dbraw/zinc/82/18/58/1035821858.db2.gz GHBFOMPMNKGYRF-LLVKDONJSA-N 1 0 339.317 4.168 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000596118231 1035823746 /nfs/dbraw/zinc/82/37/46/1035823746.db2.gz TWLIAGLKFQXNQC-NSHDSACASA-N 1 0 339.317 4.168 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OCC)c2)cc1 ZINC000617217472 1035858413 /nfs/dbraw/zinc/85/84/13/1035858413.db2.gz HHGBDFNNSFHYJQ-CQSZACIVSA-N 1 0 344.411 4.243 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)F)ccc1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596571582 1035898718 /nfs/dbraw/zinc/89/87/18/1035898718.db2.gz WUQJPVDSGWHKLW-CYBMUJFWSA-N 1 0 339.386 4.066 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCC(F)(F)F)o2)cc1 ZINC000571113976 1035948806 /nfs/dbraw/zinc/94/88/06/1035948806.db2.gz DSTXUMQFBHQHSY-UHFFFAOYSA-N 1 0 328.290 4.287 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000502324301 1036080263 /nfs/dbraw/zinc/08/02/63/1036080263.db2.gz BWQCGGFMTXMXJW-ZIAGYGMSSA-N 1 0 326.387 4.331 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(C2CCCC2)c1 ZINC000502367400 1036138956 /nfs/dbraw/zinc/13/89/56/1036138956.db2.gz REWWGIHUMZEWNZ-ZIAGYGMSSA-N 1 0 328.416 4.318 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@H](CCF)C3)cs2)c1 ZINC000597209878 1036156768 /nfs/dbraw/zinc/15/67/68/1036156768.db2.gz FGCXJHCSMDFQEH-CYBMUJFWSA-N 1 0 349.431 4.290 20 5 EIBDRO C[C@@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1ccc([N+](=O)[O-])cc1 ZINC000593320704 1036179604 /nfs/dbraw/zinc/17/96/04/1036179604.db2.gz DLUFJZRQDZODIL-RHSMWYFYSA-N 1 0 325.412 4.062 20 5 EIBDRO COc1cc(C[N@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc(OC)c1 ZINC000485819205 1036301819 /nfs/dbraw/zinc/30/18/19/1036301819.db2.gz AOJABAKQAKIKRK-AWEZNQCLSA-N 1 0 344.411 4.113 20 5 EIBDRO COc1cc(C[NH2+][C@H](c2ccc(F)cc2)C(C)C)ccc1[N+](=O)[O-] ZINC000502534996 1036308885 /nfs/dbraw/zinc/30/88/85/1036308885.db2.gz FISVPKYHCYLLFS-SFHVURJKSA-N 1 0 332.375 4.229 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC12CCSCC2 ZINC000421374883 1036324718 /nfs/dbraw/zinc/32/47/18/1036324718.db2.gz HYRGBYYRGFVEMS-GDBMZVCRSA-N 1 0 334.485 4.039 20 5 EIBDRO CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](O)c1ccc(C)cc1 ZINC000761254301 1036455887 /nfs/dbraw/zinc/45/58/87/1036455887.db2.gz UIWFOQOKKYLXLC-GOSISDBHSA-N 1 0 348.830 4.112 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ccc(C(F)F)nc3)C2)cc1 ZINC000602686486 1036562688 /nfs/dbraw/zinc/56/26/88/1036562688.db2.gz VXHLIIVNFFNVCY-HNNXBMFYSA-N 1 0 347.365 4.307 20 5 EIBDRO Cc1cc(NCC2CC[NH+](Cc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000060864803 1036580529 /nfs/dbraw/zinc/58/05/29/1036580529.db2.gz HHBZNMWMUSYEBU-UHFFFAOYSA-N 1 0 345.468 4.289 20 5 EIBDRO CC(C)C[NH+]1CCC(Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000589103327 1036655586 /nfs/dbraw/zinc/65/55/86/1036655586.db2.gz NRXGLZXHNGQXDG-UHFFFAOYSA-N 1 0 327.375 4.065 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602886121 1036660602 /nfs/dbraw/zinc/66/06/02/1036660602.db2.gz HBOVWDSAJKYDTE-HOCLYGCPSA-N 1 0 348.406 4.089 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@H]2CC2(F)F)s1 ZINC000598647502 1036736524 /nfs/dbraw/zinc/73/65/24/1036736524.db2.gz NBUVNCONMMZKPY-NSHDSACASA-N 1 0 338.379 4.458 20 5 EIBDRO CCC[C@H]([NH2+]Cc1cc(OC)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000598679832 1036744933 /nfs/dbraw/zinc/74/49/33/1036744933.db2.gz NKDCOAMRWHWUOR-SFHVURJKSA-N 1 0 332.375 4.374 20 5 EIBDRO CCCCOc1ccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000061111421 1036844542 /nfs/dbraw/zinc/84/45/42/1036844542.db2.gz VFLVRJOROHUJAZ-UHFFFAOYSA-N 1 0 328.412 4.106 20 5 EIBDRO COc1ccc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1F ZINC000598997093 1036848345 /nfs/dbraw/zinc/84/83/45/1036848345.db2.gz VQDKYXIUWZGZGG-UHFFFAOYSA-N 1 0 332.375 4.076 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000599014589 1036851452 /nfs/dbraw/zinc/85/14/52/1036851452.db2.gz RWYNVFIFTUIQGT-FNORWQNLSA-N 1 0 328.334 4.320 20 5 EIBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000486780495 1036851543 /nfs/dbraw/zinc/85/15/43/1036851543.db2.gz VMPZCYFKJDFLQR-BBRMVZONSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1ccc(C(C)(C)C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])nc1 ZINC000599068695 1036868158 /nfs/dbraw/zinc/86/81/58/1036868158.db2.gz CPNHFLDCJHMMFZ-INIZCTEOSA-N 1 0 341.455 4.187 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2O1 ZINC000593674617 1036874260 /nfs/dbraw/zinc/87/42/60/1036874260.db2.gz ZVYXGKYVGRFHSO-MRXNPFEDSA-N 1 0 330.359 4.126 20 5 EIBDRO CCOc1cc(NC[C@H](c2ccco2)[NH+](CC)CC)ccc1[N+](=O)[O-] ZINC000486923280 1036892080 /nfs/dbraw/zinc/89/20/80/1036892080.db2.gz YQDOXCGAYWCNBG-MRXNPFEDSA-N 1 0 347.415 4.082 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1CCC(F)(F)CC1 ZINC000503073400 1036892932 /nfs/dbraw/zinc/89/29/32/1036892932.db2.gz LKEOTVJDXNQIOW-CYBMUJFWSA-N 1 0 326.387 4.331 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC(C4CC4)CC3)cs2)c1 ZINC000590053063 1036961983 /nfs/dbraw/zinc/96/19/83/1036961983.db2.gz WFQZEKYRKUIKGV-UHFFFAOYSA-N 1 0 343.452 4.340 20 5 EIBDRO CSc1ccc([C@@H](CNc2sccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000590150886 1036992865 /nfs/dbraw/zinc/99/28/65/1036992865.db2.gz QZZQICVMZCZRAH-CQSZACIVSA-N 1 0 337.470 4.093 20 5 EIBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])c(C)c1)c1ccsc1 ZINC000603854006 1037048084 /nfs/dbraw/zinc/04/80/84/1037048084.db2.gz QXMUBKJUBGFTGP-KRWDZBQOSA-N 1 0 333.457 4.460 20 5 EIBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000603859485 1037053655 /nfs/dbraw/zinc/05/36/55/1037053655.db2.gz BOGIKCVYHYRMTN-OAHLLOKOSA-N 1 0 342.443 4.210 20 5 EIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000599552878 1037072610 /nfs/dbraw/zinc/07/26/10/1037072610.db2.gz KGHRUCYQXNUJJV-OLZOCXBDSA-N 1 0 346.374 4.084 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC000603889992 1037077810 /nfs/dbraw/zinc/07/78/10/1037077810.db2.gz JFYHKSFNZSAINO-QGZVFWFLSA-N 1 0 335.407 4.456 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC000603890325 1037078081 /nfs/dbraw/zinc/07/80/81/1037078081.db2.gz ZVBXLIAZBAENAF-GOSISDBHSA-N 1 0 349.434 4.498 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccsc1 ZINC000061361496 1037112258 /nfs/dbraw/zinc/11/22/58/1037112258.db2.gz GFYINGVBRMZNKN-SECBINFHSA-N 1 0 341.230 4.270 20 5 EIBDRO CC[C@H]([NH2+]C1CCC(OC(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000590780132 1037163036 /nfs/dbraw/zinc/16/30/36/1037163036.db2.gz MCQMTBIODGPHNJ-ZALBZXLWSA-N 1 0 328.359 4.186 20 5 EIBDRO C[C@H]([NH2+]Cc1c2ccccc2cc2ccccc21)c1nnc2n1CCC2 ZINC000272395053 1037179495 /nfs/dbraw/zinc/17/94/95/1037179495.db2.gz IBJFZFFNUSQNIU-HNNXBMFYSA-N 1 0 342.446 4.382 20 5 EIBDRO Cc1c(C[N@@H+](Cc2ccccc2F)CC2CC2)cccc1[N+](=O)[O-] ZINC000604291719 1037308964 /nfs/dbraw/zinc/30/89/64/1037308964.db2.gz YEIAAHCFQYKVLH-UHFFFAOYSA-N 1 0 328.387 4.455 20 5 EIBDRO C[C@H]([NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000488043043 1037338875 /nfs/dbraw/zinc/33/88/75/1037338875.db2.gz NZJNHUMWWBFDRO-ZDUSSCGKSA-N 1 0 331.391 4.275 20 5 EIBDRO CC(C)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000604415161 1037383620 /nfs/dbraw/zinc/38/36/20/1037383620.db2.gz BMPSVJVGYGFSLC-UHFFFAOYSA-N 1 0 334.441 4.336 20 5 EIBDRO CCC[N@H+](Cc1ccc(OC)cc1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000604492849 1037408301 /nfs/dbraw/zinc/40/83/01/1037408301.db2.gz HPYJBJFLDSKLKC-UHFFFAOYSA-N 1 0 344.411 4.024 20 5 EIBDRO C[C@@H]1CSCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000488372724 1037550129 /nfs/dbraw/zinc/55/01/29/1037550129.db2.gz UVLNXMNNYVUYEZ-ZDUSSCGKSA-N 1 0 332.425 4.040 20 5 EIBDRO CC/C=C\CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132924 1037738271 /nfs/dbraw/zinc/73/82/71/1037738271.db2.gz PNZHYPVTJXMYRK-BSWVIFLNSA-N 1 0 332.444 4.057 20 5 EIBDRO COc1cc(C[NH2+]C2(c3cccc(C)c3)CCC2)ccc1[N+](=O)[O-] ZINC000592145837 1037739466 /nfs/dbraw/zinc/73/94/66/1037739466.db2.gz DSZWDOSLUOYZFQ-UHFFFAOYSA-N 1 0 326.396 4.081 20 5 EIBDRO C[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])CC(F)F ZINC000592392319 1037783143 /nfs/dbraw/zinc/78/31/43/1037783143.db2.gz KIFBDMZOEGDNCY-KCQAQPDRSA-N 1 0 326.387 4.187 20 5 EIBDRO CCOc1cc(C[NH2+][C@@H](CC)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000593060526 1037899078 /nfs/dbraw/zinc/89/90/78/1037899078.db2.gz AAFPKAOVFIZGEO-INIZCTEOSA-N 1 0 332.375 4.374 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000503862021 1037948450 /nfs/dbraw/zinc/94/84/50/1037948450.db2.gz QRKYSAIJGFMGAS-RRFJBIMHSA-N 1 0 328.359 4.186 20 5 EIBDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000574192529 1037949627 /nfs/dbraw/zinc/94/96/27/1037949627.db2.gz IMEVPUNJWXODSW-GOSISDBHSA-N 1 0 344.411 4.195 20 5 EIBDRO CC(C)c1ccc([C@H]([NH3+])CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000423235116 1038053642 /nfs/dbraw/zinc/05/36/42/1038053642.db2.gz GHUVHXIREOMJKX-AUUYWEPGSA-N 1 0 327.428 4.069 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCc3cc(N)ccc32)cccc1[N+](=O)[O-] ZINC000423342183 1038156434 /nfs/dbraw/zinc/15/64/34/1038156434.db2.gz CZBFEDJTWAXEJA-ACJLOTCBSA-N 1 0 325.412 4.214 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cccc2c1CCCN2)c1cccc([N+](=O)[O-])c1 ZINC000423414943 1038222766 /nfs/dbraw/zinc/22/27/66/1038222766.db2.gz OFWAYTIJIWRRIO-GOSISDBHSA-N 1 0 325.412 4.194 20 5 EIBDRO COc1cc(C[NH2+]C2(c3cccc(C)c3)CCCC2)ccc1[N+](=O)[O-] ZINC000489986515 1038308199 /nfs/dbraw/zinc/30/81/99/1038308199.db2.gz DYGYZMBJFRXGGP-UHFFFAOYSA-N 1 0 340.423 4.471 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCOCc1ccccc1 ZINC000490028234 1038309313 /nfs/dbraw/zinc/30/93/13/1038309313.db2.gz GKWLXFNSCVMEHR-INIZCTEOSA-N 1 0 328.412 4.113 20 5 EIBDRO COc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000490034225 1038313729 /nfs/dbraw/zinc/31/37/29/1038313729.db2.gz UQIDPZIJPIELFS-JKSUJKDBSA-N 1 0 340.423 4.462 20 5 EIBDRO CC(C)[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cccnc1 ZINC000594496826 1038344589 /nfs/dbraw/zinc/34/45/89/1038344589.db2.gz XCMNPOPHDVXLIJ-ZWKOTPCHSA-N 1 0 325.412 4.007 20 5 EIBDRO CC(C)[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cccnc1 ZINC000594496823 1038346813 /nfs/dbraw/zinc/34/68/13/1038346813.db2.gz XCMNPOPHDVXLIJ-MSOLQXFVSA-N 1 0 325.412 4.007 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000574832715 1038434042 /nfs/dbraw/zinc/43/40/42/1038434042.db2.gz IDJKHEDNJGWLQV-SCLBCKFNSA-N 1 0 348.830 4.331 20 5 EIBDRO CC(C)(C)OCCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000594975217 1038485593 /nfs/dbraw/zinc/48/55/93/1038485593.db2.gz NCMHAEUZVCUBEG-UHFFFAOYSA-N 1 0 349.456 4.013 20 5 EIBDRO CC[C@@H]1c2ccsc2CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000059384340 1038557057 /nfs/dbraw/zinc/55/70/57/1038557057.db2.gz WOEVPBNHRNPBQL-CQSZACIVSA-N 1 0 332.425 4.045 20 5 EIBDRO COc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(Cl)c1 ZINC000424286902 1038765918 /nfs/dbraw/zinc/76/59/18/1038765918.db2.gz WXTTYTWEQXCPTQ-LBPRGKRZSA-N 1 0 334.803 4.416 20 5 EIBDRO COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000539049510 1038794005 /nfs/dbraw/zinc/79/40/05/1038794005.db2.gz SKXUMNHNGJHMFD-GFCCVEGCSA-N 1 0 334.803 4.150 20 5 EIBDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000539056698 1038803721 /nfs/dbraw/zinc/80/37/21/1038803721.db2.gz WPSVHVOFPAHOPH-BIENJYKASA-N 1 0 344.411 4.030 20 5 EIBDRO COc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000539060705 1038806951 /nfs/dbraw/zinc/80/69/51/1038806951.db2.gz VRGZDMRKNQWFRP-GFCCVEGCSA-N 1 0 334.803 4.416 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](c1cccnc1)C1CC1 ZINC000539048842 1038814253 /nfs/dbraw/zinc/81/42/53/1038814253.db2.gz FDNPYHFOMVYDHD-LIRRHRJNSA-N 1 0 325.412 4.052 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC000504900494 1038835368 /nfs/dbraw/zinc/83/53/68/1038835368.db2.gz YURKLARLQSDPDX-WFASDCNBSA-N 1 0 344.436 4.491 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000504893397 1038840033 /nfs/dbraw/zinc/84/00/33/1038840033.db2.gz FGFGTOBVBCZFAV-QEJZJMRPSA-N 1 0 338.473 4.318 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC[C@H]1OC ZINC000504896502 1038840805 /nfs/dbraw/zinc/84/08/05/1038840805.db2.gz YHAINJVYSWHBHO-IJEWVQPXSA-N 1 0 338.473 4.013 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2CC)cc1[N+](=O)[O-] ZINC000504895247 1038841468 /nfs/dbraw/zinc/84/14/68/1038841468.db2.gz RXOKJGXDNCPGFF-AWEZNQCLSA-N 1 0 328.412 4.407 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]CCOc2ccccc2C)cc1[N+](=O)[O-] ZINC000504912086 1038849878 /nfs/dbraw/zinc/84/98/78/1038849878.db2.gz PTJVWQDYUGULJK-OAHLLOKOSA-N 1 0 344.411 4.032 20 5 EIBDRO Cc1ccccc1C[NH+]1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000064029631 1038950603 /nfs/dbraw/zinc/95/06/03/1038950603.db2.gz CZPIGXKKCIHFLN-UHFFFAOYSA-N 1 0 331.441 4.041 20 5 EIBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000537623382 1039005260 /nfs/dbraw/zinc/00/52/60/1039005260.db2.gz DSBDKBGFJGGHSZ-CJNGLKHVSA-N 1 0 346.452 4.059 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000477926249 1039216768 /nfs/dbraw/zinc/21/67/68/1039216768.db2.gz KVNIBHKDERNXIZ-WRWLIDTKSA-N 1 0 340.423 4.332 20 5 EIBDRO CC[C@@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000477946753 1039231636 /nfs/dbraw/zinc/23/16/36/1039231636.db2.gz LXXKNYBIHHUPGO-MISYRCLQSA-N 1 0 340.423 4.413 20 5 EIBDRO C[C@@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000477945719 1039253736 /nfs/dbraw/zinc/25/37/36/1039253736.db2.gz YOQFNCWRYIXBGN-LSBZLQRGSA-N 1 0 326.396 4.023 20 5 EIBDRO COC1CCC(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000513825508 1039323757 /nfs/dbraw/zinc/32/37/57/1039323757.db2.gz DNMWHYMBRFJROM-DHRZBBNESA-N 1 0 346.471 4.101 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000534329299 1039326342 /nfs/dbraw/zinc/32/63/42/1039326342.db2.gz ZZBNCGXPMHOKKF-OLZOCXBDSA-N 1 0 334.441 4.337 20 5 EIBDRO Cc1nc(C(C)C)ccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000555523669 1039336200 /nfs/dbraw/zinc/33/62/00/1039336200.db2.gz VARXVSJVVYNHMH-UHFFFAOYSA-N 1 0 327.428 4.096 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cccc2cc[nH]c21 ZINC000478200829 1039541169 /nfs/dbraw/zinc/54/11/69/1039541169.db2.gz TZRYJKCPAIXKTN-UHFFFAOYSA-N 1 0 329.787 4.062 20 5 EIBDRO Cc1c([C@H](C)[NH2+]CCc2nc3c(s2)CCCC3)cccc1[N+](=O)[O-] ZINC000089667099 1039722257 /nfs/dbraw/zinc/72/22/57/1039722257.db2.gz OZTZOOAZYYYBRZ-ZDUSSCGKSA-N 1 0 345.468 4.132 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000075865024 1039771669 /nfs/dbraw/zinc/77/16/69/1039771669.db2.gz GCAUREKPPQTOEH-AEFFLSMTSA-N 1 0 340.423 4.195 20 5 EIBDRO COCc1cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)ccc1F ZINC000192882013 1039829284 /nfs/dbraw/zinc/82/92/84/1039829284.db2.gz WEZSPOWBSBVEIE-LJQANCHMSA-N 1 0 344.386 4.048 20 5 EIBDRO C[C@]12CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@H]1C2(F)F ZINC000430104260 1039837042 /nfs/dbraw/zinc/83/70/42/1039837042.db2.gz LTYMPDVCQPUQTP-SJORKVTESA-N 1 0 348.349 4.332 20 5 EIBDRO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000551006315 1039866897 /nfs/dbraw/zinc/86/68/97/1039866897.db2.gz PLMZWKMOUKSCFZ-ZOBUZTSGSA-N 1 0 348.443 4.148 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C(=O)OC)cc1 ZINC000551006791 1039868575 /nfs/dbraw/zinc/86/85/75/1039868575.db2.gz WSWBBHQXRZEPEE-FZKQIMNGSA-N 1 0 342.395 4.183 20 5 EIBDRO CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(Cl)cc1 ZINC000434833765 1039879531 /nfs/dbraw/zinc/87/95/31/1039879531.db2.gz MLRVEXXILNEHGP-UHFFFAOYSA-N 1 0 345.786 4.412 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000192707551 1040262381 /nfs/dbraw/zinc/26/23/81/1040262381.db2.gz BIFZIEJJSSLCHO-QWHCGFSZSA-N 1 0 330.384 4.024 20 5 EIBDRO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000482641277 1040402245 /nfs/dbraw/zinc/40/22/45/1040402245.db2.gz KJPHVISLVBDNCE-DNVCBOLYSA-N 1 0 327.428 4.382 20 5 EIBDRO CCC[C@@H]([NH2+][C@@H]1CCN(C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000482638615 1040403187 /nfs/dbraw/zinc/40/31/87/1040403187.db2.gz BHPDNUFWTLSHPH-VQIMIIECSA-N 1 0 331.460 4.043 20 5 EIBDRO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000467336923 1040618849 /nfs/dbraw/zinc/61/88/49/1040618849.db2.gz ZBDPWQIRLNHDPC-DLBZAZTESA-N 1 0 325.412 4.114 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000435782760 1040631091 /nfs/dbraw/zinc/63/10/91/1040631091.db2.gz STTTUADVGAWKHY-XBHCBNCESA-N 1 0 326.371 4.283 20 5 EIBDRO CC(C)[C@](C)(O)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483110619 1040707342 /nfs/dbraw/zinc/70/73/42/1040707342.db2.gz BZKBNZLSSDRWKA-FZKQIMNGSA-N 1 0 348.468 4.381 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2c3ccccc3CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000462542520 1040718380 /nfs/dbraw/zinc/71/83/80/1040718380.db2.gz MVHUKJGJTJQHPH-VBKZILBWSA-N 1 0 340.423 4.407 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+](CC3CC3)C3CCC3)co2)cc1 ZINC000483316333 1040816373 /nfs/dbraw/zinc/81/63/73/1040816373.db2.gz SZJRSHGBRKTUOO-UHFFFAOYSA-N 1 0 327.384 4.014 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000480005885 1040847804 /nfs/dbraw/zinc/84/78/04/1040847804.db2.gz CYUGHSVOWADYSY-QAPCUYQASA-N 1 0 334.460 4.402 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595071736 1040850640 /nfs/dbraw/zinc/85/06/40/1040850640.db2.gz DECCVYQXJHZVBA-ABAIWWIYSA-N 1 0 346.349 4.136 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000483442373 1040861211 /nfs/dbraw/zinc/86/12/11/1040861211.db2.gz UWQMVKNBJRFMNL-KDOFPFPSSA-N 1 0 340.423 4.289 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)Sc1ccccc1 ZINC000462740967 1040887408 /nfs/dbraw/zinc/88/74/08/1040887408.db2.gz KLCXTMSTUBVUQU-CQSZACIVSA-N 1 0 346.452 4.264 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)Cc1cccs1 ZINC000462761160 1040899904 /nfs/dbraw/zinc/89/99/04/1040899904.db2.gz MVHSYAZEPGGFEG-ZDUSSCGKSA-N 1 0 334.441 4.023 20 5 EIBDRO C[C@H](NCc1cccc(OC(C)(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000537941332 1040905886 /nfs/dbraw/zinc/90/58/86/1040905886.db2.gz PFOLBRIEHXZDSB-ZDUSSCGKSA-N 1 0 329.400 4.018 20 5 EIBDRO CC[C@@H]([NH2+][C@H]1COc2c1ccc(C)c2C)c1cccc([N+](=O)[O-])c1 ZINC000537977660 1040948260 /nfs/dbraw/zinc/94/82/60/1040948260.db2.gz PDNXYTRRUDZSCG-MSOLQXFVSA-N 1 0 326.396 4.386 20 5 EIBDRO Cc1c(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000515744045 1041033954 /nfs/dbraw/zinc/03/39/54/1041033954.db2.gz XHRKKKCFESPLBK-GOSISDBHSA-N 1 0 328.387 4.249 20 5 EIBDRO Cc1c(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000515744046 1041034518 /nfs/dbraw/zinc/03/45/18/1041034518.db2.gz XHRKKKCFESPLBK-SFHVURJKSA-N 1 0 328.387 4.249 20 5 EIBDRO CC(C)[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCOC1 ZINC000462869229 1041047264 /nfs/dbraw/zinc/04/72/64/1041047264.db2.gz FHSXFSSYISPDSG-CQSZACIVSA-N 1 0 346.452 4.323 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCCF)o2)c(Cl)c1 ZINC000462879584 1041061515 /nfs/dbraw/zinc/06/15/15/1041061515.db2.gz YKXHBWRIVQDECA-UHFFFAOYSA-N 1 0 326.755 4.348 20 5 EIBDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000540067826 1041071097 /nfs/dbraw/zinc/07/10/97/1041071097.db2.gz YBHBIDSPFLGDFE-BEFAXECRSA-N 1 0 344.411 4.148 20 5 EIBDRO CC[C@H]([NH2+]Cc1cc2c(cccc2F)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000436304414 1041075270 /nfs/dbraw/zinc/07/52/70/1041075270.db2.gz DTSQUKDAWYDQJP-KRWDZBQOSA-N 1 0 327.359 4.456 20 5 EIBDRO COc1cc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1C ZINC000484148030 1041138008 /nfs/dbraw/zinc/13/80/08/1041138008.db2.gz QOZQONSNPQMESV-OAHLLOKOSA-N 1 0 328.412 4.114 20 5 EIBDRO CCOc1cc(Cl)ccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000540145376 1041173227 /nfs/dbraw/zinc/17/32/27/1041173227.db2.gz UTKNAOJFVJRJGU-GFCCVEGCSA-N 1 0 334.803 4.498 20 5 EIBDRO CC[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1F ZINC000484467411 1041244315 /nfs/dbraw/zinc/24/43/15/1041244315.db2.gz NZOVSNVKWOJWAM-CJNGLKHVSA-N 1 0 332.375 4.242 20 5 EIBDRO COC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccc(F)cc1 ZINC000540185410 1041251883 /nfs/dbraw/zinc/25/18/83/1041251883.db2.gz MFCBZLASRDQRIG-ACJLOTCBSA-N 1 0 332.375 4.081 20 5 EIBDRO COc1cc(C)ccc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000484500330 1041279614 /nfs/dbraw/zinc/27/96/14/1041279614.db2.gz HVNBSIHUAKIBIF-SFHVURJKSA-N 1 0 340.423 4.023 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1Oc2ccccc2[C@H]1C ZINC000540220155 1041284197 /nfs/dbraw/zinc/28/41/97/1041284197.db2.gz KHDAEMBMXFVKAH-QJNYJZHLSA-N 1 0 326.396 4.199 20 5 EIBDRO Cc1cc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000463071160 1041316593 /nfs/dbraw/zinc/31/65/93/1041316593.db2.gz VXGZXICIGNUXMF-KRWDZBQOSA-N 1 0 339.439 4.004 20 5 EIBDRO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000540316615 1041364011 /nfs/dbraw/zinc/36/40/11/1041364011.db2.gz ZFUKJPDKZMBCLR-GJZGRUSLSA-N 1 0 327.428 4.224 20 5 EIBDRO CCCCn1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c(C)n1 ZINC000540318959 1041366166 /nfs/dbraw/zinc/36/61/66/1041366166.db2.gz WQGSBCYSVDSYRK-OAHLLOKOSA-N 1 0 330.432 4.059 20 5 EIBDRO COc1ccc(C2([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000538522920 1041392484 /nfs/dbraw/zinc/39/24/84/1041392484.db2.gz UYCFBWLBZULQDO-AWEZNQCLSA-N 1 0 326.396 4.252 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 ZINC000540394496 1041428299 /nfs/dbraw/zinc/42/82/99/1041428299.db2.gz UCZNYMVNPZBVLU-KGLIPLIRSA-N 1 0 342.395 4.168 20 5 EIBDRO CSc1ccc(OCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000540380641 1041430225 /nfs/dbraw/zinc/43/02/25/1041430225.db2.gz XFBODWUINYKLFN-ZDUSSCGKSA-N 1 0 332.425 4.046 20 5 EIBDRO CCC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000538588003 1041439572 /nfs/dbraw/zinc/43/95/72/1041439572.db2.gz KZHAAOLAOFQRFN-OKYOBFRVSA-N 1 0 344.455 4.373 20 5 EIBDRO CC1(C)C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C(C)(C)O1 ZINC000517216029 1041909401 /nfs/dbraw/zinc/90/94/01/1041909401.db2.gz QTKKPEKWXSDGMP-ZDUSSCGKSA-N 1 0 346.349 4.049 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3CCCCS3)o2)c1 ZINC000541382162 1041919297 /nfs/dbraw/zinc/91/92/97/1041919297.db2.gz PQHUYKOIBDCHCH-MRXNPFEDSA-N 1 0 332.425 4.230 20 5 EIBDRO CC[C@@H](C)[NH2+][C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)c1ccco1 ZINC000557695304 1041921094 /nfs/dbraw/zinc/92/10/94/1041921094.db2.gz VOSFQRMAQXZHAG-QMTHXVAHSA-N 1 0 339.342 4.007 20 5 EIBDRO CCc1ccc([C@H]([NH2+]C2CCSCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541565563 1042005146 /nfs/dbraw/zinc/00/51/46/1042005146.db2.gz GIHPCBLGDJDJQD-GOSISDBHSA-N 1 0 346.452 4.325 20 5 EIBDRO CCCC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCC1 ZINC000541592559 1042025128 /nfs/dbraw/zinc/02/51/28/1042025128.db2.gz OQVSZOHQOBVHPY-SFHVURJKSA-N 1 0 347.459 4.180 20 5 EIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[NH2+]C2(C3CC3)CC2)cc1OC ZINC000541594608 1042027517 /nfs/dbraw/zinc/02/75/17/1042027517.db2.gz FQNANKPFAYNFTG-ZDUSSCGKSA-N 1 0 348.443 4.061 20 5 EIBDRO COc1cc(C[NH2+][C@@H](c2cccs2)C2CC2)c([N+](=O)[O-])cc1F ZINC000464488407 1042036210 /nfs/dbraw/zinc/03/62/10/1042036210.db2.gz AZIXOOKBQORPNS-MRXNPFEDSA-N 1 0 336.388 4.045 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2ccccc2N(C)C(C)C)cc1[N+](=O)[O-] ZINC000438327303 1042140736 /nfs/dbraw/zinc/14/07/36/1042140736.db2.gz LRJNFCFKSJXMSV-UHFFFAOYSA-N 1 0 327.428 4.038 20 5 EIBDRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000464729245 1042143151 /nfs/dbraw/zinc/14/31/51/1042143151.db2.gz DDMQSTAPTZYJBE-RDTXWAMCSA-N 1 0 344.386 4.196 20 5 EIBDRO C[C@H](C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000464785040 1042161726 /nfs/dbraw/zinc/16/17/26/1042161726.db2.gz KWBBLQQOPVYVQH-MRXNPFEDSA-N 1 0 340.423 4.242 20 5 EIBDRO Cc1ccc(C)c(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000464783825 1042162042 /nfs/dbraw/zinc/16/20/42/1042162042.db2.gz QWDWKJUVWVJYIP-UHFFFAOYSA-N 1 0 340.423 4.255 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000090217389 1042183999 /nfs/dbraw/zinc/18/39/99/1042183999.db2.gz UYOXOCMREOKYSK-CABCVRRESA-N 1 0 327.428 4.381 20 5 EIBDRO COc1ccc([C@@H](C)[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000506325964 1042315293 /nfs/dbraw/zinc/31/52/93/1042315293.db2.gz OIYWPMHFIYRGIH-DDJMYBDESA-N 1 0 326.396 4.310 20 5 EIBDRO COc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000492103219 1042556472 /nfs/dbraw/zinc/55/64/72/1042556472.db2.gz HLQVXNZGYXEEHB-UHFFFAOYSA-N 1 0 334.803 4.282 20 5 EIBDRO CCCc1nc(C)c(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)o1 ZINC000492223072 1042584147 /nfs/dbraw/zinc/58/41/47/1042584147.db2.gz GSRMEXNPAWALND-UKTHLTGXSA-N 1 0 329.400 4.037 20 5 EIBDRO CC(C)c1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000439426522 1042617690 /nfs/dbraw/zinc/61/76/90/1042617690.db2.gz WEWINPBAZGSDHN-UHFFFAOYSA-N 1 0 341.411 4.032 20 5 EIBDRO CC[NH+](CC)CCC[C@@H](C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000326096319 1042703001 /nfs/dbraw/zinc/70/30/01/1042703001.db2.gz BQEYITAOMHOHEY-CQSZACIVSA-N 1 0 330.432 4.065 20 5 EIBDRO COc1cc(C[N@H+](C)Cc2cccc(OC(C)C)c2)ccc1[N+](=O)[O-] ZINC000492782480 1042748942 /nfs/dbraw/zinc/74/89/42/1042748942.db2.gz HFRDUAHYMHJIFG-UHFFFAOYSA-N 1 0 344.411 4.023 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000492825148 1042754808 /nfs/dbraw/zinc/75/48/08/1042754808.db2.gz BWASSXPPBCAGNF-HNNXBMFYSA-N 1 0 327.428 4.162 20 5 EIBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC001234249865 1042866672 /nfs/dbraw/zinc/86/66/72/1042866672.db2.gz LGWVHIABDFAFQK-VIFPVBQESA-N 1 0 330.292 4.198 20 5 EIBDRO COc1ccc([C@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000761507030 1042872568 /nfs/dbraw/zinc/87/25/68/1042872568.db2.gz RHGFMVUKJITZCJ-LBPRGKRZSA-N 1 0 334.803 4.450 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(c3cccc(F)c3)CC2)cc1Cl ZINC000761524496 1042877237 /nfs/dbraw/zinc/87/72/37/1042877237.db2.gz DXLZWOYNCVINSR-UHFFFAOYSA-N 1 0 334.778 4.209 20 5 EIBDRO CC(C)(CCCO)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493249380 1042889150 /nfs/dbraw/zinc/88/91/50/1042889150.db2.gz PRGBKFCVANEJMD-IBGZPJMESA-N 1 0 342.439 4.073 20 5 EIBDRO Cc1cccnc1[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000520609561 1042931695 /nfs/dbraw/zinc/93/16/95/1042931695.db2.gz JKIBMHBDDAUBAQ-FUHWJXTLSA-N 1 0 325.412 4.272 20 5 EIBDRO CCOc1cc(C[NH2+][C@@H](CC(F)(F)F)C(C)C)ccc1[N+](=O)[O-] ZINC000493540449 1042931643 /nfs/dbraw/zinc/93/16/43/1042931643.db2.gz AKEIGHOAXFOIOB-LBPRGKRZSA-N 1 0 334.338 4.060 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000266875490 1042942683 /nfs/dbraw/zinc/94/26/83/1042942683.db2.gz OGAKKSWXZGUNJA-CZUORRHYSA-N 1 0 342.395 4.168 20 5 EIBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCN(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000152535334 1043020076 /nfs/dbraw/zinc/02/00/76/1043020076.db2.gz XYJGKHRQRBWPOQ-DLBZAZTESA-N 1 0 339.439 4.080 20 5 EIBDRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000611554143 1043047094 /nfs/dbraw/zinc/04/70/94/1043047094.db2.gz GDKVGHJYGUSMTG-CHWSQXEVSA-N 1 0 346.349 4.027 20 5 EIBDRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163348725 1043228228 /nfs/dbraw/zinc/22/82/28/1043228228.db2.gz SHUQAKDREFPUIQ-CHWSQXEVSA-N 1 0 332.375 4.463 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000133736513 1043298926 /nfs/dbraw/zinc/29/89/26/1043298926.db2.gz BFJNXQXYZGNCHW-LRDDRELGSA-N 1 0 330.432 4.055 20 5 EIBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000428075587 1043319472 /nfs/dbraw/zinc/31/94/72/1043319472.db2.gz ZUTCONMFTGCLPR-KRWDZBQOSA-N 1 0 346.452 4.059 20 5 EIBDRO COc1cc(NC2CCC([NH+]3CCC(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000301756788 1043325538 /nfs/dbraw/zinc/32/55/38/1043325538.db2.gz ACBGSCVJAFUZHI-UHFFFAOYSA-N 1 0 347.459 4.058 20 5 EIBDRO O=[N+]([O-])c1cc(F)c(NC2CCC([NH+]3CCCCC3)CC2)c(F)c1 ZINC000301759697 1043331098 /nfs/dbraw/zinc/33/10/98/1043331098.db2.gz AWUKNNOZIYTKKS-UHFFFAOYSA-N 1 0 339.386 4.082 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CCSCC2)s1 ZINC000171768007 1043674638 /nfs/dbraw/zinc/67/46/38/1043674638.db2.gz BURWFXAHOLLDPZ-UHFFFAOYSA-N 1 0 334.466 4.309 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000544384963 1043688317 /nfs/dbraw/zinc/68/83/17/1043688317.db2.gz GHKIMWUHJFEQTC-LLVKDONJSA-N 1 0 332.425 4.004 20 5 EIBDRO CCCC[NH+](CCCC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000078647912 1043712611 /nfs/dbraw/zinc/71/26/11/1043712611.db2.gz KWOWMEZLDYTYPU-UHFFFAOYSA-N 1 0 332.404 4.047 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCNc1ccccc1F ZINC000542488445 1043757505 /nfs/dbraw/zinc/75/75/05/1043757505.db2.gz ROFWVUAPWJXUMQ-AWEZNQCLSA-N 1 0 331.391 4.195 20 5 EIBDRO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)[C@@H]1c1ccccc1 ZINC000301854516 1043816134 /nfs/dbraw/zinc/81/61/34/1043816134.db2.gz YITFKBCLZGQXKC-ICSRJNTNSA-N 1 0 348.406 4.000 20 5 EIBDRO COCCC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000442866575 1043868939 /nfs/dbraw/zinc/86/89/39/1043868939.db2.gz WVTOTUREJXEOGA-IBGZPJMESA-N 1 0 346.402 4.034 20 5 EIBDRO COCCC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1 ZINC000442857591 1043876628 /nfs/dbraw/zinc/87/66/28/1043876628.db2.gz PYYKJGXMLZSHOK-SFHVURJKSA-N 1 0 346.402 4.300 20 5 EIBDRO COc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc2n1 ZINC000173449375 1043970988 /nfs/dbraw/zinc/97/09/88/1043970988.db2.gz LAUDTAPFIKVZCC-CYBMUJFWSA-N 1 0 337.379 4.002 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000245564812 1043982868 /nfs/dbraw/zinc/98/28/68/1043982868.db2.gz WKRAEWKJAZOVNR-YDHLFZDLSA-N 1 0 331.441 4.113 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2c(Cl)cccc2Cl)cc1 ZINC000040675898 1043997383 /nfs/dbraw/zinc/99/73/83/1043997383.db2.gz VALNYDAUIIIRMS-UHFFFAOYSA-N 1 0 325.195 4.234 20 5 EIBDRO C[C@H]1C[C@H](CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000543229309 1044198807 /nfs/dbraw/zinc/19/88/07/1044198807.db2.gz ZCUBNVPKJGGCSN-LSDHHAIUSA-N 1 0 344.411 4.150 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000245933497 1044214840 /nfs/dbraw/zinc/21/48/40/1044214840.db2.gz SVCJHFBQKCGDJV-NBHSMZAVSA-N 1 0 348.349 4.054 20 5 EIBDRO C[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccsc2S1 ZINC000316931810 1044378255 /nfs/dbraw/zinc/37/82/55/1044378255.db2.gz DXYLORQDRRJXMF-NHYWBVRUSA-N 1 0 334.466 4.414 20 5 EIBDRO CCc1ccc([C@H]([NH2+]CCc2ccco2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543410519 1044545869 /nfs/dbraw/zinc/54/58/69/1044545869.db2.gz ZBGDPRFUNJKYGB-LJQANCHMSA-N 1 0 340.379 4.265 20 5 EIBDRO c1ccc2c(c1)cc1ccccc1c2C[NH2+]CCOC[C@H]1CCCO1 ZINC000734509900 1044589810 /nfs/dbraw/zinc/58/98/10/1044589810.db2.gz SESMCSICXPJJAR-LJQANCHMSA-N 1 0 335.447 4.278 20 5 EIBDRO CCCCC[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C(C)C ZINC000734828321 1044692376 /nfs/dbraw/zinc/69/23/76/1044692376.db2.gz QZCYRQRVVMCTKW-UHFFFAOYSA-N 1 0 330.432 4.316 20 5 EIBDRO C[S@](=O)CC[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC000735085335 1044740936 /nfs/dbraw/zinc/74/09/36/1044740936.db2.gz SNOVIVKMGQLLLQ-QFIPXVFZSA-N 1 0 331.868 4.115 20 5 EIBDRO COC(=O)N1CCC([NH2+]Cc2c3ccccc3cc3ccccc32)CC1 ZINC000140661484 1044819311 /nfs/dbraw/zinc/81/93/11/1044819311.db2.gz DNMNHOFDSAHCLJ-UHFFFAOYSA-N 1 0 348.446 4.313 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H](c3ccccn3)C3CC3)o2)cc1 ZINC000922586999 1044831481 /nfs/dbraw/zinc/83/14/81/1044831481.db2.gz VFYHLDSWJWJMLK-HXUWFJFHSA-N 1 0 349.390 4.491 20 5 EIBDRO COC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000093337466 1044831539 /nfs/dbraw/zinc/83/15/39/1044831539.db2.gz BXYJKGNHKYEUMC-CQSZACIVSA-N 1 0 346.452 4.182 20 5 EIBDRO CCS[C@@H]1CCCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000735493298 1044832891 /nfs/dbraw/zinc/83/28/91/1044832891.db2.gz OCAORVVGLCEKPO-CQSZACIVSA-N 1 0 328.865 4.356 20 5 EIBDRO Cc1ccc(C[NH+]2CCC(OCC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000093818287 1044855755 /nfs/dbraw/zinc/85/57/55/1044855755.db2.gz DHCAZDJWKCELSC-UHFFFAOYSA-N 1 0 332.444 4.074 20 5 EIBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000248572776 1044865838 /nfs/dbraw/zinc/86/58/38/1044865838.db2.gz RQUAQXZDAPTBQN-DVZHBHJUSA-N 1 0 344.415 4.120 20 5 EIBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCOC2(CCC2)C1 ZINC000895820485 1044915908 /nfs/dbraw/zinc/91/59/08/1044915908.db2.gz GIRIEWBOWRUKNE-INIZCTEOSA-N 1 0 338.835 4.077 20 5 EIBDRO CC(C)O[C@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000428967245 1044918985 /nfs/dbraw/zinc/91/89/85/1044918985.db2.gz MBUJIKYTQFIKJF-HXUWFJFHSA-N 1 0 342.439 4.235 20 5 EIBDRO CC(C)C[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000466670835 1044956539 /nfs/dbraw/zinc/95/65/39/1044956539.db2.gz KAVFPBJGLPSFQB-OAHLLOKOSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]CCCc2nc3ccccc3[nH]2)cccc1[N+](=O)[O-] ZINC000156181503 1045016303 /nfs/dbraw/zinc/01/63/03/1045016303.db2.gz DTVCTHYSAVHVOL-CQSZACIVSA-N 1 0 338.411 4.063 20 5 EIBDRO COCC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000495403805 1045061019 /nfs/dbraw/zinc/06/10/19/1045061019.db2.gz WVFJIORMPPCNDX-PBHICJAKSA-N 1 0 346.427 4.185 20 5 EIBDRO C[C@H](C[NH2+]Cc1c2ccccc2cc2ccccc21)CN1CCOCC1 ZINC000738438797 1045060906 /nfs/dbraw/zinc/06/09/06/1045060906.db2.gz FLESUQIOURMAIT-GOSISDBHSA-N 1 0 348.490 4.051 20 5 EIBDRO Cc1ccc([C@H](C)Nc2cccc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000392648061 1045065222 /nfs/dbraw/zinc/06/52/22/1045065222.db2.gz SIWVUDZDVNOZOY-HNNXBMFYSA-N 1 0 343.427 4.017 20 5 EIBDRO O=[N+]([O-])c1cnc2c(c1)CN(C1c3ccccc3-c3ccccc31)CC2 ZINC000495454326 1045133229 /nfs/dbraw/zinc/13/32/29/1045133229.db2.gz IUEYQSWKWJNOJN-UHFFFAOYSA-N 1 0 343.386 4.118 20 5 EIBDRO Cc1cc(N[C@@H]2CCOC3(CCCC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302078363 1045158473 /nfs/dbraw/zinc/15/84/73/1045158473.db2.gz KKSMBXUDQXADAS-CQSZACIVSA-N 1 0 341.411 4.355 20 5 EIBDRO Cc1cc(NCCC[C@H]2CCCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302243501 1045172267 /nfs/dbraw/zinc/17/22/67/1045172267.db2.gz YZUXQYFWHDOYMB-OAHLLOKOSA-N 1 0 329.400 4.213 20 5 EIBDRO CCOC1CC(CCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000302638749 1045187819 /nfs/dbraw/zinc/18/78/19/1045187819.db2.gz DNKMHAQBPRQVMU-UHFFFAOYSA-N 1 0 329.400 4.069 20 5 EIBDRO CC(C)(C)OC1CC(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000762462330 1045247141 /nfs/dbraw/zinc/24/71/41/1045247141.db2.gz WERPXJDPSZFYDR-UHFFFAOYSA-N 1 0 340.851 4.322 20 5 EIBDRO CC(C)c1ccc([C@@H]2CCCCN2Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000611210802 1045261567 /nfs/dbraw/zinc/26/15/67/1045261567.db2.gz VJPYSKGUVRHTRQ-KRWDZBQOSA-N 1 0 342.443 4.179 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C(C)C)no1 ZINC000611248520 1045265945 /nfs/dbraw/zinc/26/59/45/1045265945.db2.gz VYUDHSAQVMONLP-ZDUSSCGKSA-N 1 0 349.456 4.367 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1c(C)noc1C ZINC000611248493 1045266712 /nfs/dbraw/zinc/26/67/12/1045266712.db2.gz OBONVKNWLLGKRE-RISCZKNCSA-N 1 0 349.456 4.421 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H]1CCOc2ccccc21)C1CC1 ZINC000611254796 1045267089 /nfs/dbraw/zinc/26/70/89/1045267089.db2.gz MHULKYBJOPZFMN-HNNXBMFYSA-N 1 0 338.407 4.126 20 5 EIBDRO CO[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000611336752 1045282696 /nfs/dbraw/zinc/28/26/96/1045282696.db2.gz BTMRIVFVSZOLFQ-YVEFUNNKSA-N 1 0 334.803 4.287 20 5 EIBDRO CC[C@H]([NH2+]Cc1cc2c(c(Cl)c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000611336988 1045283195 /nfs/dbraw/zinc/28/31/95/1045283195.db2.gz AGMTWAOYZZLOHD-HNNXBMFYSA-N 1 0 348.786 4.218 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCCC(=O)OC(C)(C)C ZINC000611366665 1045287766 /nfs/dbraw/zinc/28/77/66/1045287766.db2.gz GRXAGWHVWGBYMW-CQSZACIVSA-N 1 0 336.432 4.066 20 5 EIBDRO Cc1c([C@H](C)[NH2+]CCCCC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000611367512 1045288438 /nfs/dbraw/zinc/28/84/38/1045288438.db2.gz IFBDRORFJGOYIJ-AWEZNQCLSA-N 1 0 336.432 4.066 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2(CO)CCCCC2)s1 ZINC000611461701 1045310374 /nfs/dbraw/zinc/31/03/74/1045310374.db2.gz KCEGDFUTUNZJJK-UHFFFAOYSA-N 1 0 346.452 4.108 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC(F)(F)C1 ZINC000611475684 1045316080 /nfs/dbraw/zinc/31/60/80/1045316080.db2.gz ABMLGSACFMTIRU-NEPJUHHUSA-N 1 0 330.400 4.243 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000611517045 1045320513 /nfs/dbraw/zinc/32/05/13/1045320513.db2.gz KYRSCGUKCBMUPN-BBWFWOEESA-N 1 0 332.444 4.103 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000611517050 1045321385 /nfs/dbraw/zinc/32/13/85/1045321385.db2.gz KYRSCGUKCBMUPN-YESZJQIVSA-N 1 0 332.444 4.103 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3Cc4ccccc43)o2)cc1 ZINC000609222621 1045416367 /nfs/dbraw/zinc/41/63/67/1045416367.db2.gz UXGISSJPNAMGRJ-MRXNPFEDSA-N 1 0 334.375 4.284 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2cccc3cccnc32)C2CC2)c1 ZINC000153301249 1045486903 /nfs/dbraw/zinc/48/69/03/1045486903.db2.gz AJPUWOJSGLLOAO-UHFFFAOYSA-N 1 0 333.391 4.308 20 5 EIBDRO COCc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1OC ZINC000193902348 1045538528 /nfs/dbraw/zinc/53/85/28/1045538528.db2.gz AMGQNHSCFJOKEM-UONOGXRCSA-N 1 0 344.411 4.162 20 5 EIBDRO CCC1CCC([N@H+](CCO)Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC001169971954 1045616261 /nfs/dbraw/zinc/61/62/61/1045616261.db2.gz YCYWVTNFEAKZEY-UHFFFAOYSA-N 1 0 340.851 4.011 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1ccco1 ZINC000768092316 1045710534 /nfs/dbraw/zinc/71/05/34/1045710534.db2.gz XJIVRXNTBVLIBZ-KBPBESRZSA-N 1 0 334.441 4.279 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000194350758 1045720340 /nfs/dbraw/zinc/72/03/40/1045720340.db2.gz PYCAXQRBVSGKTL-QWHCGFSZSA-N 1 0 330.384 4.024 20 5 EIBDRO COCC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccc(C)o1 ZINC000272648909 1045730618 /nfs/dbraw/zinc/73/06/18/1045730618.db2.gz PKDYNSKYKLWIBG-RHSMWYFYSA-N 1 0 332.400 4.233 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1NCc1ccccc1-n1ccnc1 ZINC000791412700 1045737785 /nfs/dbraw/zinc/73/77/85/1045737785.db2.gz IQFUIEMAVYCDMU-UHFFFAOYSA-N 1 0 328.759 4.046 20 5 EIBDRO Cc1c(C[NH2+]Cc2ccc(Cl)c3cccnc23)cccc1[N+](=O)[O-] ZINC000326442237 1045808665 /nfs/dbraw/zinc/80/86/65/1045808665.db2.gz ZRFQQCIPCMULOZ-UHFFFAOYSA-N 1 0 341.798 4.395 20 5 EIBDRO C[C@@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000130627936 1045810504 /nfs/dbraw/zinc/81/05/04/1045810504.db2.gz PCWVLBCNZCHKHD-GFCCVEGCSA-N 1 0 333.457 4.242 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC001170315280 1045997016 /nfs/dbraw/zinc/99/70/16/1045997016.db2.gz WKEIFNWOCOHWPQ-UGSOOPFHSA-N 1 0 346.402 4.414 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@H](C)c3ccccc32)c([N+](=O)[O-])c1 ZINC001170306551 1046006333 /nfs/dbraw/zinc/00/63/33/1046006333.db2.gz XJQIQCVYXYTSBF-CKFHNAJUSA-N 1 0 340.423 4.373 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2C2CC2)c([N+](=O)[O-])c1 ZINC001170309690 1046008369 /nfs/dbraw/zinc/00/83/69/1046008369.db2.gz RLKOSXAXOLGPJY-AWEZNQCLSA-N 1 0 340.423 4.202 20 5 EIBDRO CC(C)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000792878244 1046091585 /nfs/dbraw/zinc/09/15/85/1046091585.db2.gz ZWBLSBVHIUCCHA-KRWDZBQOSA-N 1 0 343.383 4.380 20 5 EIBDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000747100362 1046138139 /nfs/dbraw/zinc/13/81/39/1046138139.db2.gz ZATZZHCKYQLTKH-LSDHHAIUSA-N 1 0 328.412 4.194 20 5 EIBDRO COCc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000536656443 1046602582 /nfs/dbraw/zinc/60/25/82/1046602582.db2.gz YOIACHQPLUIVDM-UHFFFAOYSA-N 1 0 328.412 4.152 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccncc1C ZINC000536828955 1046800230 /nfs/dbraw/zinc/80/02/30/1046800230.db2.gz ULNFOBCGVULEEG-INIZCTEOSA-N 1 0 345.468 4.001 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000536840197 1046815081 /nfs/dbraw/zinc/81/50/81/1046815081.db2.gz SIXXKSDXVVDYAX-ORAYPTAESA-N 1 0 341.411 4.190 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000536843159 1046816517 /nfs/dbraw/zinc/81/65/17/1046816517.db2.gz CVETXHZGYVNJBG-HOCLYGCPSA-N 1 0 343.402 4.054 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000536843135 1046816646 /nfs/dbraw/zinc/81/66/46/1046816646.db2.gz CVETXHZGYVNJBG-GDBMZVCRSA-N 1 0 343.402 4.054 20 5 EIBDRO CCc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000536861266 1046828005 /nfs/dbraw/zinc/82/80/05/1046828005.db2.gz CMTNGAVVUWMIFV-SCLBCKFNSA-N 1 0 326.396 4.332 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C[C@@H](O)c1ccccc1 ZINC000786820892 1046875364 /nfs/dbraw/zinc/87/53/64/1046875364.db2.gz MHKASDINDPWCOJ-CXQWBTLCSA-N 1 0 340.423 4.100 20 5 EIBDRO COc1ccc([C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C2CC2)cc1 ZINC000746656190 1046926045 /nfs/dbraw/zinc/92/60/45/1046926045.db2.gz URPZFLUXJOQMEZ-SFHVURJKSA-N 1 0 346.814 4.498 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000537087662 1046935318 /nfs/dbraw/zinc/93/53/18/1046935318.db2.gz BVGWCLSXRRDPMP-CABCVRRESA-N 1 0 336.395 4.192 20 5 EIBDRO COc1ccc([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)cc1 ZINC000746667603 1046981767 /nfs/dbraw/zinc/98/17/67/1046981767.db2.gz ZBTICPFOSPMGEO-CQSZACIVSA-N 1 0 346.814 4.246 20 5 EIBDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746672705 1046987365 /nfs/dbraw/zinc/98/73/65/1046987365.db2.gz HFDJHDXENSISPR-UONOGXRCSA-N 1 0 328.865 4.354 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](CCc2cccc(F)c2)C2CC2)cc1F ZINC000788481105 1047199118 /nfs/dbraw/zinc/19/91/18/1047199118.db2.gz QGWPCBOWGMJJNO-UHFFFAOYSA-N 1 0 332.350 4.080 20 5 EIBDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788481039 1047199451 /nfs/dbraw/zinc/19/94/51/1047199451.db2.gz OZRFBGAUOQMYPC-IUODEOHRSA-N 1 0 332.350 4.251 20 5 EIBDRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788525924 1047226456 /nfs/dbraw/zinc/22/64/56/1047226456.db2.gz GTHMPSAUBICWIL-KGLIPLIRSA-N 1 0 343.427 4.376 20 5 EIBDRO CC(C)COc1cccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788565941 1047233210 /nfs/dbraw/zinc/23/32/10/1047233210.db2.gz XDMLVFXGWSEFCA-AWEZNQCLSA-N 1 0 343.427 4.063 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H](C(C)C)[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000788627726 1047256387 /nfs/dbraw/zinc/25/63/87/1047256387.db2.gz QHIBWDRRBOEPOO-BEVDRBHNSA-N 1 0 342.439 4.312 20 5 EIBDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000152542330 1047259752 /nfs/dbraw/zinc/25/97/52/1047259752.db2.gz NNMWXLYSGWJLDD-JXFKEZNVSA-N 1 0 339.439 4.162 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(C2CCC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788780523 1047315273 /nfs/dbraw/zinc/31/52/73/1047315273.db2.gz DVFXNNDPCZEMKX-CYBMUJFWSA-N 1 0 325.412 4.295 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)c3ccc[nH]3)o2)c([N+](=O)[O-])c1 ZINC000760445288 1047373619 /nfs/dbraw/zinc/37/36/19/1047373619.db2.gz LTFJTTVYNVNKKM-GFCCVEGCSA-N 1 0 341.367 4.042 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1cncs1 ZINC000897933222 1047502403 /nfs/dbraw/zinc/50/24/03/1047502403.db2.gz UXOVXVCKKIOFHF-GZBFAFLISA-N 1 0 331.441 4.113 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000533920686 1047722708 /nfs/dbraw/zinc/72/27/08/1047722708.db2.gz DDLOWDDVKJTSGJ-LJQANCHMSA-N 1 0 325.412 4.354 20 5 EIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)F ZINC000325079854 1047730659 /nfs/dbraw/zinc/73/06/59/1047730659.db2.gz IFXVLJQRQBILOP-LBPRGKRZSA-N 1 0 336.338 4.090 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCCC1CCOCC1 ZINC000824477242 1047871773 /nfs/dbraw/zinc/87/17/73/1047871773.db2.gz NZHFPZJTMGCUOX-UHFFFAOYSA-N 1 0 347.242 4.198 20 5 EIBDRO CC(C)C[C@@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000557030341 1048407913 /nfs/dbraw/zinc/40/79/13/1048407913.db2.gz LUVOTZGBPLILRJ-INIZCTEOSA-N 1 0 343.427 4.303 20 5 EIBDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000809656071 1048456361 /nfs/dbraw/zinc/45/63/61/1048456361.db2.gz VOLPXIZXUVEOMM-QGZVFWFLSA-N 1 0 348.830 4.098 20 5 EIBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CCC2 ZINC000815627157 1048551583 /nfs/dbraw/zinc/55/15/83/1048551583.db2.gz VICVWHUPLDNDNA-UGSOOPFHSA-N 1 0 325.412 4.214 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C1(CCO)CCCCC1 ZINC000809964348 1048572880 /nfs/dbraw/zinc/57/28/80/1048572880.db2.gz IWMGCTYAIPTFBQ-UHFFFAOYSA-N 1 0 347.242 4.077 20 5 EIBDRO CC[N+](C)(C)Cc1ccccc1NCCC1CCC2(CC1)OCCO2 ZINC001171222471 1048856172 /nfs/dbraw/zinc/85/61/72/1048856172.db2.gz IADQYHOYLDRZLK-UHFFFAOYSA-N 1 0 347.523 4.018 20 5 EIBDRO CC(C)C[C@@H](CCO)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811481988 1049076340 /nfs/dbraw/zinc/07/63/40/1049076340.db2.gz DADXSRZHQVKZNW-LLVKDONJSA-N 1 0 349.258 4.036 20 5 EIBDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000811486764 1049082517 /nfs/dbraw/zinc/08/25/17/1049082517.db2.gz QAQOLSVLYZPXPN-GXTWGEPZSA-N 1 0 347.242 4.195 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C1Cc2ccccc2C1 ZINC000811489329 1049085267 /nfs/dbraw/zinc/08/52/67/1049085267.db2.gz ATGXCZCHBRYCHM-UHFFFAOYSA-N 1 0 337.206 4.159 20 5 EIBDRO COc1ccc(C[N@@H+]2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC001170638493 1049181136 /nfs/dbraw/zinc/18/11/36/1049181136.db2.gz JGHMKQBZRJTALB-RKVPGOIHSA-N 1 0 340.423 4.370 20 5 EIBDRO CC(C)(C)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000609706149 1049279893 /nfs/dbraw/zinc/27/98/93/1049279893.db2.gz GRPOYJPVBGLUMQ-INIZCTEOSA-N 1 0 348.443 4.110 20 5 EIBDRO O=[N+]([O-])c1ccc(Sc2ccc(NC[C@H]3CCCC[NH2+]3)cc2)cc1 ZINC001171334018 1049331681 /nfs/dbraw/zinc/33/16/81/1049331681.db2.gz JIYYXOPQPWKJAM-OAHLLOKOSA-N 1 0 343.452 4.300 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC3(O)CCCCCC3)o2)c1 ZINC000609805219 1049334004 /nfs/dbraw/zinc/33/40/04/1049334004.db2.gz WAOGPCYLJDFMKD-UHFFFAOYSA-N 1 0 344.411 4.030 20 5 EIBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064550894 1049336793 /nfs/dbraw/zinc/33/67/93/1049336793.db2.gz HFYIMFSLIGWJPT-CYBMUJFWSA-N 1 0 349.431 4.120 20 5 EIBDRO COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000610001848 1049469658 /nfs/dbraw/zinc/46/96/58/1049469658.db2.gz FSVAOAYWJIJSCN-RDJZCZTQSA-N 1 0 340.423 4.290 20 5 EIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3C[C@H]3C3CCCCC3)CC2)cc1 ZINC000773025845 1049536693 /nfs/dbraw/zinc/53/66/93/1049536693.db2.gz LXENGVOQGMQVBG-PMACEKPBSA-N 1 0 343.471 4.122 20 5 EIBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)nc1 ZINC000773029335 1049539711 /nfs/dbraw/zinc/53/97/11/1049539711.db2.gz YCKJOBXIVSXTRS-ZDUSSCGKSA-N 1 0 333.819 4.317 20 5 EIBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000301249214 1049559312 /nfs/dbraw/zinc/55/93/12/1049559312.db2.gz ANZHEVJNHINARA-UHFFFAOYSA-N 1 0 348.834 4.096 20 5 EIBDRO CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)[C@@H](O)c1ccccc1 ZINC000812849301 1049610284 /nfs/dbraw/zinc/61/02/84/1049610284.db2.gz NHJVYLGTGWDZDL-FZKQIMNGSA-N 1 0 348.830 4.192 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000067962412 1049671712 /nfs/dbraw/zinc/67/17/12/1049671712.db2.gz JUBZIBYMDPBRMJ-QRWLVFNGSA-N 1 0 340.423 4.101 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000067962410 1049673546 /nfs/dbraw/zinc/67/35/46/1049673546.db2.gz JUBZIBYMDPBRMJ-FOIQADDNSA-N 1 0 340.423 4.101 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000237788054 1049762787 /nfs/dbraw/zinc/76/27/87/1049762787.db2.gz FPTSVASUSSXZBM-CXSYMGSUSA-N 1 0 328.334 4.319 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)c1 ZINC000813783553 1049815197 /nfs/dbraw/zinc/81/51/97/1049815197.db2.gz WEDOLLBMHODUDQ-RTWAWAEBSA-N 1 0 348.402 4.159 20 5 EIBDRO COc1c(C)cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1C ZINC000813791862 1049817165 /nfs/dbraw/zinc/81/71/65/1049817165.db2.gz KMTOJDJZNDFHAY-UHFFFAOYSA-N 1 0 328.412 4.245 20 5 EIBDRO CCOc1cc(CN2CCc3cccc(Cl)c3C2)ccc1[N+](=O)[O-] ZINC001171006459 1049824468 /nfs/dbraw/zinc/82/44/68/1049824468.db2.gz HHNXBCTWXVWPQK-UHFFFAOYSA-N 1 0 346.814 4.205 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCc3c1cccc3F)CC2 ZINC001172904284 1050204805 /nfs/dbraw/zinc/20/48/05/1050204805.db2.gz WKHKLHGPBSZPLZ-YWZLYKJASA-N 1 0 340.398 4.258 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccnc3ccccc13)CC2 ZINC001172895792 1050231359 /nfs/dbraw/zinc/23/13/59/1050231359.db2.gz IZPKDVOBHJPEHO-SFHVURJKSA-N 1 0 347.418 4.180 20 5 EIBDRO C[N@H+](Cc1ccccc1F)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172917639 1050233327 /nfs/dbraw/zinc/23/33/27/1050233327.db2.gz WGWLJYONWBYSSK-QGZVFWFLSA-N 1 0 328.387 4.113 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCc3cc(F)ccc3C1)CC2 ZINC001172919139 1050233587 /nfs/dbraw/zinc/23/35/87/1050233587.db2.gz DZVNQLNEECDRSC-LJQANCHMSA-N 1 0 340.398 4.040 20 5 EIBDRO C[C@@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1(F)F ZINC001172909692 1050246611 /nfs/dbraw/zinc/24/66/11/1050246611.db2.gz UXVIGGXOISIIPS-CJNGLKHVSA-N 1 0 338.398 4.209 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H](CF)c1ccccc1)CC2 ZINC001172911211 1050246804 /nfs/dbraw/zinc/24/68/04/1050246804.db2.gz HNVLVPABJPUIQX-IEBWSBKVSA-N 1 0 328.387 4.143 20 5 EIBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@H]1CCC[N@H+](C)C1 ZINC001186355221 1050295889 /nfs/dbraw/zinc/29/58/89/1050295889.db2.gz XLEBSBHVSSKJKP-IBGZPJMESA-N 1 0 346.474 4.293 20 5 EIBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)c1ccccc1 ZINC000181785319 1050332558 /nfs/dbraw/zinc/33/25/58/1050332558.db2.gz WWKKDEPTIIGXRL-CYBMUJFWSA-N 1 0 339.395 4.192 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)Cc2ccccc2C)c1F ZINC001173189916 1050337001 /nfs/dbraw/zinc/33/70/01/1050337001.db2.gz OSXLZZYMLQXTKZ-CQSZACIVSA-N 1 0 346.402 4.114 20 5 EIBDRO CCC[N@H+]([C@H](C)CC)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184195 1050337631 /nfs/dbraw/zinc/33/76/31/1050337631.db2.gz LWMPVTJAJRFYLD-CHWSQXEVSA-N 1 0 326.412 4.184 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC001173218252 1050349735 /nfs/dbraw/zinc/34/97/35/1050349735.db2.gz JNSAOXNUQOZFHE-LRVUVFPRSA-N 1 0 344.377 4.484 20 5 EIBDRO COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219568 1050352093 /nfs/dbraw/zinc/35/20/93/1050352093.db2.gz OAVLVJVKDYMSSX-OLZOCXBDSA-N 1 0 332.375 4.024 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccc(F)cc2F)CC1 ZINC001173219914 1050352498 /nfs/dbraw/zinc/35/24/98/1050352498.db2.gz RBDHLSGBPPGOIK-GFCCVEGCSA-N 1 0 332.350 4.083 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC001173218668 1050352867 /nfs/dbraw/zinc/35/28/67/1050352867.db2.gz RNUINNXHCPJKJP-XIKOKIGWSA-N 1 0 330.815 4.456 20 5 EIBDRO Cc1ccc2c(CC[NH3+])cn([C@H](C)Cc3ccc([N+](=O)[O-])cc3)c2c1 ZINC001173219032 1050352918 /nfs/dbraw/zinc/35/29/18/1050352918.db2.gz VGTYGALWCYLYRS-OAHLLOKOSA-N 1 0 337.423 4.163 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCCCCCCCCO ZINC001173218633 1050353003 /nfs/dbraw/zinc/35/30/03/1050353003.db2.gz LIQVZAYOMXBLJV-KRWDZBQOSA-N 1 0 336.476 4.229 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001173218344 1050353463 /nfs/dbraw/zinc/35/34/63/1050353463.db2.gz AJEMGPZSPHFPPC-DIFFPNOSSA-N 1 0 332.350 4.081 20 5 EIBDRO COc1ccccc1CC(C)(C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173224524 1050354791 /nfs/dbraw/zinc/35/47/91/1050354791.db2.gz NRNZBMFLPWEKRD-HNNXBMFYSA-N 1 0 342.439 4.145 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1cccnc1Cl)C1CC1 ZINC001173230042 1050356245 /nfs/dbraw/zinc/35/62/45/1050356245.db2.gz PZRYLLFGENPPOI-PXAZEXFGSA-N 1 0 345.830 4.315 20 5 EIBDRO CCO[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000775029159 1050356448 /nfs/dbraw/zinc/35/64/48/1050356448.db2.gz XFSZLAJQASHYJD-KRWDZBQOSA-N 1 0 334.803 4.116 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1ncccc1Cl)C1CC1 ZINC001173229298 1050356823 /nfs/dbraw/zinc/35/68/23/1050356823.db2.gz MJOPMCGWVATFPZ-PXAZEXFGSA-N 1 0 345.830 4.315 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1ccc(Cl)cn1)C1CC1 ZINC001173228227 1050357089 /nfs/dbraw/zinc/35/70/89/1050357089.db2.gz IDZPINIYMHFZSB-SGTLLEGYSA-N 1 0 345.830 4.315 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC001173226001 1050357457 /nfs/dbraw/zinc/35/74/57/1050357457.db2.gz GXBTZVZKMONODI-UYIIGHAYSA-N 1 0 328.456 4.426 20 5 EIBDRO Cc1cccc(Cl)c1C(=[NH2+])N[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229654 1050358198 /nfs/dbraw/zinc/35/81/98/1050358198.db2.gz OQFRKTFJMZFRRG-GFCCVEGCSA-N 1 0 331.803 4.103 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001173232644 1050359794 /nfs/dbraw/zinc/35/97/94/1050359794.db2.gz FEDWRADIKNTTLW-SGTLLEGYSA-N 1 0 330.815 4.456 20 5 EIBDRO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231080 1050359937 /nfs/dbraw/zinc/35/99/37/1050359937.db2.gz XEBKCNQFAGZDBL-CABCVRRESA-N 1 0 328.412 4.275 20 5 EIBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173235764 1050362483 /nfs/dbraw/zinc/36/24/83/1050362483.db2.gz UWQQDXLBYBNXFA-BEFAXECRSA-N 1 0 339.439 4.134 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(Br)c1 ZINC001173212523 1050372256 /nfs/dbraw/zinc/37/22/56/1050372256.db2.gz AMTRLMFJDPKTPI-LBPRGKRZSA-N 1 0 349.228 4.078 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)Cc1ccc(F)cc1 ZINC001173214203 1050372733 /nfs/dbraw/zinc/37/27/33/1050372733.db2.gz NBBLTMAUARNREH-CQSZACIVSA-N 1 0 330.403 4.276 20 5 EIBDRO Cc1cc([N+](=O)[O-])cnc1S[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001186757192 1050406879 /nfs/dbraw/zinc/40/68/79/1050406879.db2.gz NQUMOASKQQSFKO-QGZVFWFLSA-N 1 0 343.452 4.055 20 5 EIBDRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ccccc1[N+](=O)[O-] ZINC001186906718 1050446540 /nfs/dbraw/zinc/44/65/40/1050446540.db2.gz VTAFWAZYUPOADS-YESZJQIVSA-N 1 0 339.439 4.083 20 5 EIBDRO COc1ccc(C)cc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618985548 1050612020 /nfs/dbraw/zinc/61/20/20/1050612020.db2.gz JOQIQGWYXMVJDW-SFHVURJKSA-N 1 0 340.423 4.424 20 5 EIBDRO Cc1ccncc1[C@@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618985556 1050612057 /nfs/dbraw/zinc/61/20/57/1050612057.db2.gz MLRFAPWOJWNQOD-ACJLOTCBSA-N 1 0 325.412 4.371 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCOC1 ZINC001179433010 1050690513 /nfs/dbraw/zinc/69/05/13/1050690513.db2.gz LJXLAFWBOWWDAW-CRAIPNDOSA-N 1 0 344.411 4.150 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CCC(C)(C)CO1 ZINC001179686395 1050747031 /nfs/dbraw/zinc/74/70/31/1050747031.db2.gz XLKISJXTSMPHSF-RXBGNRNISA-N 1 0 332.444 4.183 20 5 EIBDRO CC(C)c1ccc(C[NH2+]C2CC3(C2)COC(C)(C)C3)cc1[N+](=O)[O-] ZINC001179740046 1050765592 /nfs/dbraw/zinc/76/55/92/1050765592.db2.gz JIFZEQWMQBUROI-UHFFFAOYSA-N 1 0 332.444 4.156 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000182677946 1050790188 /nfs/dbraw/zinc/79/01/88/1050790188.db2.gz WPBNAMGHIGLPCF-MRXNPFEDSA-N 1 0 332.787 4.252 20 5 EIBDRO C[C@@H]([N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1)C1(C)CC1 ZINC001179973669 1050838017 /nfs/dbraw/zinc/83/80/17/1050838017.db2.gz FCQWUWZNPYSIJB-MRVPVSSYSA-N 1 0 333.251 4.039 20 5 EIBDRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001180183343 1050895383 /nfs/dbraw/zinc/89/53/83/1050895383.db2.gz BVQMWOYROOLHNU-HNNXBMFYSA-N 1 0 342.439 4.283 20 5 EIBDRO CC(C)c1ccc(C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000619798706 1050908628 /nfs/dbraw/zinc/90/86/28/1050908628.db2.gz ZPMHRUWYVUFJNK-GJZGRUSLSA-N 1 0 334.460 4.402 20 5 EIBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CS1 ZINC001180349476 1050966204 /nfs/dbraw/zinc/96/62/04/1050966204.db2.gz MCZHUHMUYOJJBN-ZFWWWQNUSA-N 1 0 342.892 4.301 20 5 EIBDRO Nc1ccc2cc3ccc(Nc4cnn(CC5CC5)c4)cc3[nH+]c2c1 ZINC001174469724 1051013940 /nfs/dbraw/zinc/01/39/40/1051013940.db2.gz MCVSPWVZACJDJI-UHFFFAOYSA-N 1 0 329.407 4.320 20 5 EIBDRO CSc1ccccc1C[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001180858693 1051094067 /nfs/dbraw/zinc/09/40/67/1051094067.db2.gz SKXFVEZFAXPZNI-ZDUSSCGKSA-N 1 0 330.453 4.346 20 5 EIBDRO CC1(C)CC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC(C)(C)C1 ZINC001181268305 1051195884 /nfs/dbraw/zinc/19/58/84/1051195884.db2.gz YVQXJWGVUUYHRH-UHFFFAOYSA-N 1 0 330.432 4.166 20 5 EIBDRO CCC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC001190570777 1051218166 /nfs/dbraw/zinc/21/81/66/1051218166.db2.gz JMOHZHHTMRPXJC-IBGZPJMESA-N 1 0 326.396 4.200 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(Cc3ccc(F)cc3)CC2)cc1 ZINC001190689817 1051259047 /nfs/dbraw/zinc/25/90/47/1051259047.db2.gz BLJRJDDJESKLQD-UHFFFAOYSA-N 1 0 342.414 4.231 20 5 EIBDRO COc1ccc(C2(NCc3cc(Cl)ccc3[N+](=O)[O-])CC2)cc1 ZINC000775411421 1051277031 /nfs/dbraw/zinc/27/70/31/1051277031.db2.gz PLWSDJKDCWTIEU-UHFFFAOYSA-N 1 0 332.787 4.036 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC001181901085 1051344146 /nfs/dbraw/zinc/34/41/46/1051344146.db2.gz PPIZQZQHYWSUKA-IIDMSEBBSA-N 1 0 340.423 4.418 20 5 EIBDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001191338624 1051423757 /nfs/dbraw/zinc/42/37/57/1051423757.db2.gz APHKVNPZFUQOGG-CYBMUJFWSA-N 1 0 348.830 4.320 20 5 EIBDRO COc1ccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC001191475993 1051462523 /nfs/dbraw/zinc/46/25/23/1051462523.db2.gz QQDOYBCCPOXBEH-QAPCUYQASA-N 1 0 340.423 4.057 20 5 EIBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC001191646401 1051508223 /nfs/dbraw/zinc/50/82/23/1051508223.db2.gz LWZIHDPNAUXWTE-GOSISDBHSA-N 1 0 326.371 4.386 20 5 EIBDRO CC(C)(C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])OCC1CC1 ZINC001182398410 1051529202 /nfs/dbraw/zinc/52/92/02/1051529202.db2.gz SYBPTXIGZSQSQM-AEFFLSMTSA-N 1 0 346.471 4.101 20 5 EIBDRO COc1cc(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)c([N+](=O)[O-])cc1F ZINC001192139697 1051648679 /nfs/dbraw/zinc/64/86/79/1051648679.db2.gz JRAFZICFMXQKJO-HIFRSBDPSA-N 1 0 338.423 4.437 20 5 EIBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])cc1F ZINC001192139696 1051649519 /nfs/dbraw/zinc/64/95/19/1051649519.db2.gz JRAFZICFMXQKJO-DZGCQCFKSA-N 1 0 338.423 4.437 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC001182633988 1051654436 /nfs/dbraw/zinc/65/44/36/1051654436.db2.gz HGBBIQFLFMVFJR-LSSBLYJVSA-N 1 0 330.428 4.032 20 5 EIBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)c1ccccc1 ZINC001182756110 1051685989 /nfs/dbraw/zinc/68/59/89/1051685989.db2.gz WIJVZZVFNOATCP-UHFFFAOYSA-N 1 0 325.368 4.103 20 5 EIBDRO CC[C@@]1(CCc2ccccc2)CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001175757332 1051771255 /nfs/dbraw/zinc/77/12/55/1051771255.db2.gz AZNVTBNPPQJZBM-FQEVSTJZSA-N 1 0 339.439 4.367 20 5 EIBDRO CC(C)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC001192681629 1051790689 /nfs/dbraw/zinc/79/06/89/1051790689.db2.gz NPBWQHJCTHRBFR-UHFFFAOYSA-N 1 0 334.803 4.152 20 5 EIBDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001192745089 1051801674 /nfs/dbraw/zinc/80/16/74/1051801674.db2.gz LNZVDKBIXBLOIU-FZKQIMNGSA-N 1 0 348.830 4.422 20 5 EIBDRO CCOc1cc(C[N@H+](C)CCCc2ccccc2)ccc1[N+](=O)[O-] ZINC001193032590 1051856848 /nfs/dbraw/zinc/85/68/48/1051856848.db2.gz FHARYDZDTGIMOD-UHFFFAOYSA-N 1 0 328.412 4.058 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001183652843 1051877691 /nfs/dbraw/zinc/87/76/91/1051877691.db2.gz WDBZBJQPIOSRQL-KGLIPLIRSA-N 1 0 343.383 4.175 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCc1ccc2ncccc2c1 ZINC001183822411 1051907547 /nfs/dbraw/zinc/90/75/47/1051907547.db2.gz GTAVNCUZNZMFHK-UHFFFAOYSA-N 1 0 341.798 4.129 20 5 EIBDRO CCC1(CC)CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC001193430638 1051926840 /nfs/dbraw/zinc/92/68/40/1051926840.db2.gz NPTHQLNZQSOSEW-UHFFFAOYSA-N 1 0 347.459 4.134 20 5 EIBDRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)cc1 ZINC001193932528 1052024938 /nfs/dbraw/zinc/02/49/38/1052024938.db2.gz PSXUOMQHMSMSTI-RHSMWYFYSA-N 1 0 328.387 4.420 20 5 EIBDRO C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001176356844 1052035567 /nfs/dbraw/zinc/03/55/67/1052035567.db2.gz VZAVBHJNEUGKGI-JXFKEZNVSA-N 1 0 340.423 4.242 20 5 EIBDRO CC1CC[NH+](CCCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC001184643835 1052067846 /nfs/dbraw/zinc/06/78/46/1052067846.db2.gz BFCCBUPTDQZBAO-UHFFFAOYSA-N 1 0 345.365 4.148 20 5 EIBDRO CCC1CCC([N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001194067027 1052068869 /nfs/dbraw/zinc/06/88/69/1052068869.db2.gz VFSXQTDJEKGYNO-UHFFFAOYSA-N 1 0 340.851 4.011 20 5 EIBDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001194106804 1052073752 /nfs/dbraw/zinc/07/37/52/1052073752.db2.gz BPJITKVDMUHTOU-GOSISDBHSA-N 1 0 328.412 4.495 20 5 EIBDRO Cc1cc(Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)ncc1[N+](=O)[O-] ZINC001184884473 1052116347 /nfs/dbraw/zinc/11/63/47/1052116347.db2.gz AREDXGICCUPFSH-OAHLLOKOSA-N 1 0 340.427 4.416 20 5 EIBDRO C[N@@H+](C/C=C/c1ccc(Cl)cc1)CCc1ccccc1[N+](=O)[O-] ZINC001194263281 1052121699 /nfs/dbraw/zinc/12/16/99/1052121699.db2.gz WOCCTZUZSOGYKB-SNAWJCMRSA-N 1 0 330.815 4.436 20 5 EIBDRO CCC(=O)c1ccc(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001184983513 1052139551 /nfs/dbraw/zinc/13/95/51/1052139551.db2.gz TYSWDXMKEQPGKF-IFXJQAMLSA-N 1 0 347.459 4.110 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCCc3ccsc3)C2)cc1 ZINC001194478749 1052158857 /nfs/dbraw/zinc/15/88/57/1052158857.db2.gz XZWCTGVDKUKEKW-QGZVFWFLSA-N 1 0 330.453 4.469 20 5 EIBDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774889342 1052250358 /nfs/dbraw/zinc/25/03/58/1052250358.db2.gz ZEQKZKVXFGTTBD-SFHVURJKSA-N 1 0 343.383 4.332 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000090918521 1052783178 /nfs/dbraw/zinc/78/31/78/1052783178.db2.gz NZMJVYXMYVJITQ-PXAZEXFGSA-N 1 0 329.356 4.305 20 5 EIBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2OC)c1cccc([N+](=O)[O-])c1 ZINC000090918660 1052783221 /nfs/dbraw/zinc/78/32/21/1052783221.db2.gz ODBJBPMAMZMHEH-ROUUACIJSA-N 1 0 326.396 4.332 20 5 EIBDRO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000764285652 1053052109 /nfs/dbraw/zinc/05/21/09/1053052109.db2.gz YJKOQLKNTFYXJV-BEFAXECRSA-N 1 0 328.412 4.020 20 5 EIBDRO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000764282159 1053052231 /nfs/dbraw/zinc/05/22/31/1053052231.db2.gz CIPIAKCNYJMWRM-HNAYVOBHSA-N 1 0 328.412 4.020 20 5 EIBDRO O=C1CC[C@@H](C[NH2+]Cc2c3ccccc3c(Cl)c3ccccc32)N1 ZINC000850388777 1053159375 /nfs/dbraw/zinc/15/93/75/1053159375.db2.gz MFMFNWAYIOCULT-ZDUSSCGKSA-N 1 0 338.838 4.015 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CCC3(CC3(F)F)CC2)c1 ZINC000850391569 1053163191 /nfs/dbraw/zinc/16/31/91/1053163191.db2.gz VCZQXGMDOGVCIR-UHFFFAOYSA-N 1 0 330.762 4.306 20 5 EIBDRO C[C@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000120075788 1053281108 /nfs/dbraw/zinc/28/11/08/1053281108.db2.gz DDCUXIPHOFXNAH-BLLLJJGKSA-N 1 0 342.420 4.194 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000120075624 1053281205 /nfs/dbraw/zinc/28/12/05/1053281205.db2.gz DDCUXIPHOFXNAH-WBMJQRKESA-N 1 0 342.420 4.194 20 5 EIBDRO CCC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000764749026 1053289617 /nfs/dbraw/zinc/28/96/17/1053289617.db2.gz OFAQKXBAULIRAE-ROUUACIJSA-N 1 0 348.830 4.413 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000339073052 1053473355 /nfs/dbraw/zinc/47/33/55/1053473355.db2.gz ZIZROLFBSXHEPS-GOSISDBHSA-N 1 0 326.396 4.079 20 5 EIBDRO C[C@@H](CSc1ccccc1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC001195850771 1053494151 /nfs/dbraw/zinc/49/41/51/1053494151.db2.gz DFNFVDWDYDWHFZ-HNNXBMFYSA-N 1 0 346.452 4.086 20 5 EIBDRO CC(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000765473803 1053563840 /nfs/dbraw/zinc/56/38/40/1053563840.db2.gz JJZFKHYSJWOZRT-KBPBESRZSA-N 1 0 348.468 4.381 20 5 EIBDRO CC(C)(C)[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000776588438 1053574596 /nfs/dbraw/zinc/57/45/96/1053574596.db2.gz VGGMUYSKZYDHAC-ZWKOTPCHSA-N 1 0 346.402 4.144 20 5 EIBDRO CC(C)(C)OC1CCC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000865698882 1053574874 /nfs/dbraw/zinc/57/48/74/1053574874.db2.gz RYGVTUMGEKKITJ-VURMDHGXSA-N 1 0 332.444 4.324 20 5 EIBDRO CC(C)(C)[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000776588433 1053575738 /nfs/dbraw/zinc/57/57/38/1053575738.db2.gz VGGMUYSKZYDHAC-MSOLQXFVSA-N 1 0 346.402 4.144 20 5 EIBDRO [NH3+]CC[C@@H]1CN(c2ncnc3cc4ccccc4cc32)c2ccccc21 ZINC001168542192 1053599725 /nfs/dbraw/zinc/59/97/25/1053599725.db2.gz ATGSKGAWVRESAB-QGZVFWFLSA-N 1 0 340.430 4.367 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000865832370 1053603281 /nfs/dbraw/zinc/60/32/81/1053603281.db2.gz NPWSYYIAAXZPQY-KMVAXQJASA-N 1 0 326.318 4.095 20 5 EIBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001196330072 1053640369 /nfs/dbraw/zinc/64/03/69/1053640369.db2.gz SPVXECBLAMKYPT-XJKSGUPXSA-N 1 0 329.400 4.403 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000853243185 1053660152 /nfs/dbraw/zinc/66/01/52/1053660152.db2.gz YUMNVSUNXVDJDV-FZKQIMNGSA-N 1 0 338.407 4.258 20 5 EIBDRO CCc1nc([C@H](C)[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cs1 ZINC000866264435 1053669756 /nfs/dbraw/zinc/66/97/56/1053669756.db2.gz OGGYDUATRNIMJQ-MNOVXSKESA-N 1 0 337.420 4.035 20 5 EIBDRO CC(C)[C@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1cccnc1 ZINC000866281714 1053676089 /nfs/dbraw/zinc/67/60/89/1053676089.db2.gz KAQGLYURVDFTKU-KDOFPFPSSA-N 1 0 345.418 4.089 20 5 EIBDRO C[NH+](C)CCCC1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853464880 1053679265 /nfs/dbraw/zinc/67/92/65/1053679265.db2.gz XNSJMKRBERVWRM-UHFFFAOYSA-N 1 0 341.402 4.091 20 5 EIBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)CCCC(F)(F)F ZINC000866345864 1053697584 /nfs/dbraw/zinc/69/75/84/1053697584.db2.gz GCZHCCWKBQDXGN-WDEREUQCSA-N 1 0 336.329 4.376 20 5 EIBDRO C[C@@H](C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001196819787 1053780326 /nfs/dbraw/zinc/78/03/26/1053780326.db2.gz WCELYEWROKMSHL-HNNXBMFYSA-N 1 0 347.459 4.072 20 5 EIBDRO C[C@H](C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001196819788 1053781210 /nfs/dbraw/zinc/78/12/10/1053781210.db2.gz WCELYEWROKMSHL-OAHLLOKOSA-N 1 0 347.459 4.072 20 5 EIBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001196919997 1053801501 /nfs/dbraw/zinc/80/15/01/1053801501.db2.gz QTKNEVDHMPUVMJ-AEFFLSMTSA-N 1 0 346.814 4.176 20 5 EIBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866607700 1053803426 /nfs/dbraw/zinc/80/34/26/1053803426.db2.gz AUOVWLFXTASAGH-LERXQTSPSA-N 1 0 346.324 4.152 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC001197283863 1053875990 /nfs/dbraw/zinc/87/59/90/1053875990.db2.gz FRMQJSCFCYFUKX-HIFRSBDPSA-N 1 0 345.226 4.093 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC001168553793 1053893585 /nfs/dbraw/zinc/89/35/85/1053893585.db2.gz XIMPBUCAFIVCDQ-NSHDSACASA-N 1 0 349.774 4.316 20 5 EIBDRO C[C@H]([NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)c1ccccc1[N+](=O)[O-] ZINC001197507641 1053922739 /nfs/dbraw/zinc/92/27/39/1053922739.db2.gz XJSCNJCHEQDJBV-NUTKFTJISA-N 1 0 332.350 4.294 20 5 EIBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC001197660394 1053960444 /nfs/dbraw/zinc/96/04/44/1053960444.db2.gz NPUSXRYMCGQCGJ-SCLBCKFNSA-N 1 0 341.367 4.086 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001197718673 1053971897 /nfs/dbraw/zinc/97/18/97/1053971897.db2.gz AFXUYHFZEOSRJC-QAPCUYQASA-N 1 0 328.799 4.022 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C1CCCC1)C1CCCC1 ZINC001198020271 1054057960 /nfs/dbraw/zinc/05/79/60/1054057960.db2.gz NEPDDPPWQIPSBQ-UHFFFAOYSA-N 1 0 332.444 4.442 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173350953 1054099504 /nfs/dbraw/zinc/09/95/04/1054099504.db2.gz YIIZEUYZBVQOPO-MOXGXCLJSA-N 1 0 340.423 4.413 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1C ZINC001198260577 1054101530 /nfs/dbraw/zinc/10/15/30/1054101530.db2.gz KJMRATXYIUSSKL-GFCCVEGCSA-N 1 0 334.803 4.416 20 5 EIBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC001168570333 1054116965 /nfs/dbraw/zinc/11/69/65/1054116965.db2.gz MWWXAUHFUPBMIS-ZYHUDNBSSA-N 1 0 327.222 4.120 20 5 EIBDRO Cc1cccnc1[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001198508359 1054180576 /nfs/dbraw/zinc/18/05/76/1054180576.db2.gz PBHPZLBHUSHNAC-GOSISDBHSA-N 1 0 343.427 4.054 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)c1ccccc1C ZINC000872041084 1054355154 /nfs/dbraw/zinc/35/51/54/1054355154.db2.gz POGVXMIXBVEKKS-GUYCJALGSA-N 1 0 346.452 4.009 20 5 EIBDRO C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043814 1054355628 /nfs/dbraw/zinc/35/56/28/1054355628.db2.gz MIMFJXQXHRLGCA-ZBQZNYHESA-N 1 0 344.386 4.162 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000872048465 1054361778 /nfs/dbraw/zinc/36/17/78/1054361778.db2.gz JOSCEVIDNULWGW-QWHCGFSZSA-N 1 0 336.457 4.069 20 5 EIBDRO CSc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)ccn1 ZINC000872048368 1054362684 /nfs/dbraw/zinc/36/26/84/1054362684.db2.gz YRRIAFLWJAMTHH-LLVKDONJSA-N 1 0 349.481 4.284 20 5 EIBDRO C[C@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872066404 1054374240 /nfs/dbraw/zinc/37/42/40/1054374240.db2.gz MLHJOVPKMBHNQN-HSBZDZAISA-N 1 0 338.423 4.368 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](c2ccccn2)C2CCC2)ccc1Cl ZINC000858238607 1054444313 /nfs/dbraw/zinc/44/43/13/1054444313.db2.gz WUQDCBYTUNVFNV-KRWDZBQOSA-N 1 0 331.803 4.274 20 5 EIBDRO CCOc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1OCC ZINC000873184106 1054504238 /nfs/dbraw/zinc/50/42/38/1054504238.db2.gz CBRAWMNKANVFMV-CQSZACIVSA-N 1 0 344.411 4.243 20 5 EIBDRO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000858508657 1054505656 /nfs/dbraw/zinc/50/56/56/1054505656.db2.gz QARMCFJTUMWROI-XIRDDKMYSA-N 1 0 349.475 4.202 20 5 EIBDRO C[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173392339 1054573998 /nfs/dbraw/zinc/57/39/98/1054573998.db2.gz VDFWYKFWKKSEOH-GFCCVEGCSA-N 1 0 336.338 4.090 20 5 EIBDRO CC(C)(C)C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776155216 1054740772 /nfs/dbraw/zinc/74/07/72/1054740772.db2.gz DMIYOFPTJNQSCE-RBUKOAKNSA-N 1 0 342.439 4.395 20 5 EIBDRO Cc1cccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)C)c1 ZINC000859853246 1054743978 /nfs/dbraw/zinc/74/39/78/1054743978.db2.gz PPFDEYXTOWDFFT-GOSISDBHSA-N 1 0 343.383 4.298 20 5 EIBDRO CC(C)c1ccc(O[C@H](C)C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001202350158 1055137126 /nfs/dbraw/zinc/13/71/26/1055137126.db2.gz SUAIXJFQNNBQAY-OAHLLOKOSA-N 1 0 328.412 4.275 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)cc1 ZINC000776278259 1055150217 /nfs/dbraw/zinc/15/02/17/1055150217.db2.gz SRINXRXKZPNFEH-QZTJIDSGSA-N 1 0 346.814 4.119 20 5 EIBDRO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCCCCCC1 ZINC000878019799 1055176453 /nfs/dbraw/zinc/17/64/53/1055176453.db2.gz GWWTYZMXBOPKAY-UHFFFAOYSA-N 1 0 344.415 4.190 20 5 EIBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878199476 1055203877 /nfs/dbraw/zinc/20/38/77/1055203877.db2.gz AZFIDPDXQGZACE-HIFRSBDPSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1cc2cc3cc(C)c(Nc4ccc(CO)nc4)cc3[nH+]c2cc1N ZINC001212388209 1055338373 /nfs/dbraw/zinc/33/83/73/1055338373.db2.gz YMJAAOFWMLJDRT-UHFFFAOYSA-N 1 0 344.418 4.218 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](COC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000089667754 1055476616 /nfs/dbraw/zinc/47/66/16/1055476616.db2.gz NBQVWBJTGXFTCT-OALUTQOASA-N 1 0 328.412 4.413 20 5 EIBDRO CC[C@@H]([NH2+]C[C@](O)(CC)CCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000903256948 1055568524 /nfs/dbraw/zinc/56/85/24/1055568524.db2.gz SOPBLSZJVWPCKR-CABCVRRESA-N 1 0 348.365 4.119 20 5 EIBDRO CCOc1cc(NC2CC[NH+](CC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301515912 1055653543 /nfs/dbraw/zinc/65/35/43/1055653543.db2.gz JVUIUUBOFHITSL-UHFFFAOYSA-N 1 0 347.459 4.060 20 5 EIBDRO CC(C)C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000765849846 1055914773 /nfs/dbraw/zinc/91/47/73/1055914773.db2.gz RSKZTPLFMSVLCL-HOTGVXAUSA-N 1 0 334.441 4.067 20 5 EIBDRO COc1ccc(C[NH2+]C2c3ccccc3-c3ccccc32)cc1[N+](=O)[O-] ZINC000542779961 1055981421 /nfs/dbraw/zinc/98/14/21/1055981421.db2.gz YQNBPKFTCPIVJG-UHFFFAOYSA-N 1 0 346.386 4.463 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000554360295 1056063502 /nfs/dbraw/zinc/06/35/02/1056063502.db2.gz PFEWWJHSGJUYDO-ZOBUZTSGSA-N 1 0 334.485 4.039 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@H+]2CC=C(c3c[nH]c4ccccc34)CC2)c1 ZINC000542816189 1056097024 /nfs/dbraw/zinc/09/70/24/1056097024.db2.gz QRYFCLICTLDJAB-UHFFFAOYSA-N 1 0 333.391 4.365 20 5 EIBDRO CC[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccs1 ZINC000554742359 1056167771 /nfs/dbraw/zinc/16/77/71/1056167771.db2.gz VBDHBKHCJFPGTO-OAHLLOKOSA-N 1 0 329.425 4.421 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000338707814 1056421963 /nfs/dbraw/zinc/42/19/63/1056421963.db2.gz LQOFBTWILXBHSZ-ZNNBYXKUSA-N 1 0 342.370 4.251 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3[C@H]4Cc5ccccc5[C@@H]34)o2)c1 ZINC000554880692 1056517187 /nfs/dbraw/zinc/51/71/87/1056517187.db2.gz OVSUMBWNYLQCBW-CEWLAPEOSA-N 1 0 346.386 4.283 20 5 EIBDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000741807681 1058376409 /nfs/dbraw/zinc/37/64/09/1058376409.db2.gz JZUGMDZKUYONBQ-KSSFIOAISA-N 1 0 328.387 4.360 20 5 EIBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C12CCCC2 ZINC000742390433 1058590317 /nfs/dbraw/zinc/59/03/17/1058590317.db2.gz GVWABJGANRKGGK-JKSUJKDBSA-N 1 0 338.835 4.076 20 5 EIBDRO COCCCN(C)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000742374705 1058598203 /nfs/dbraw/zinc/59/82/03/1058598203.db2.gz DCAAVRHJMWRBFR-UHFFFAOYSA-N 1 0 336.479 4.051 20 5 EIBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)c1cccc(Cl)c1 ZINC000743263257 1058905518 /nfs/dbraw/zinc/90/55/18/1058905518.db2.gz AHBWKJNKGKRYGK-SFHVURJKSA-N 1 0 348.830 4.192 20 5 EIBDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000743869608 1059180840 /nfs/dbraw/zinc/18/08/40/1059180840.db2.gz SKFQPYOPDHNFNX-GXTWGEPZSA-N 1 0 328.865 4.354 20 5 EIBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000743869611 1059181337 /nfs/dbraw/zinc/18/13/37/1059181337.db2.gz SKFQPYOPDHNFNX-TZMCWYRMSA-N 1 0 328.865 4.354 20 5 EIBDRO C[C@H](CC[NH+](C)C)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000744170945 1059326793 /nfs/dbraw/zinc/32/67/93/1059326793.db2.gz VHWNDGBQCIAPNU-MRVPVSSYSA-N 1 0 339.745 4.019 20 5 EIBDRO CC(C)[NH+](CCCNc1nc2ccc([N+](=O)[O-])cc2s1)C(C)C ZINC000746391497 1060271568 /nfs/dbraw/zinc/27/15/68/1060271568.db2.gz ONLSVXMLSUBYKM-UHFFFAOYSA-N 1 0 336.461 4.125 20 5 EIBDRO CC(C)Oc1ccc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC001168801781 1060401240 /nfs/dbraw/zinc/40/12/40/1060401240.db2.gz SZTZZTIHPAGCRW-OAHLLOKOSA-N 1 0 344.411 4.112 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2cccc(Oc3ccccc3)c2)C1 ZINC001168967457 1060560555 /nfs/dbraw/zinc/56/05/55/1060560555.db2.gz PSCIELNAEYKIJC-ROUUACIJSA-N 1 0 340.423 4.056 20 5 EIBDRO Cc1ccc(Oc2ccc(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)cc2)cc1 ZINC001169000345 1060571661 /nfs/dbraw/zinc/57/16/61/1060571661.db2.gz XNNFBENLWCPXNJ-QZTJIDSGSA-N 1 0 340.423 4.322 20 5 EIBDRO C[N@H+](Cc1sc2ccccc2c1Cl)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035784 1060588245 /nfs/dbraw/zinc/58/82/45/1060588245.db2.gz CGKHEORLQIZHLI-NWDGAFQWSA-N 1 0 338.860 4.432 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(c3ccc4ccccc4c3)CC2)C1 ZINC001169034006 1060589436 /nfs/dbraw/zinc/58/94/36/1060589436.db2.gz FBSKWIUSTIYEEX-IERDGZPVSA-N 1 0 338.451 4.465 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](c3cccc(Cl)c3Cl)C2)C1 ZINC001169035906 1060596196 /nfs/dbraw/zinc/59/61/96/1060596196.db2.gz MGMPLSUKMMDXAT-JHJVBQTASA-N 1 0 343.254 4.228 20 5 EIBDRO CC1(C)C[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C[C@@](C)(C[NH3+])C1 ZINC001169141563 1060660860 /nfs/dbraw/zinc/66/08/60/1060660860.db2.gz CBWDOBBWULNLSF-ORAYPTAESA-N 1 0 342.443 4.099 20 5 EIBDRO CC1(C)C[C@H](Nc2cc3cc[nH]c3c([N+](=O)[O-])c2)C[C@](C)(C[NH3+])C1 ZINC001169145292 1060665902 /nfs/dbraw/zinc/66/59/02/1060665902.db2.gz OPMZYROBPDGBOI-KSSFIOAISA-N 1 0 330.432 4.032 20 5 EIBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001169282479 1060738328 /nfs/dbraw/zinc/73/83/28/1060738328.db2.gz DFOWQIDSPKFLLZ-RISCZKNCSA-N 1 0 341.249 4.368 20 5 EIBDRO CC1(C)CCCC[C@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001169569244 1060859487 /nfs/dbraw/zinc/85/94/87/1060859487.db2.gz SBLPCKFSIDCUHM-CQSZACIVSA-N 1 0 341.249 4.416 20 5 EIBDRO O=[N+]([O-])c1ccc(Sc2ccc(NCC[C@H]3CCC[NH2+]3)cc2)cc1 ZINC001169567222 1060859722 /nfs/dbraw/zinc/85/97/22/1060859722.db2.gz HACHJCYQPMTACN-CQSZACIVSA-N 1 0 343.452 4.300 20 5 EIBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc([N+](=O)[O-])cc(F)c1C ZINC001169689263 1060900125 /nfs/dbraw/zinc/90/01/25/1060900125.db2.gz GRCCCMQTHKAERG-INIZCTEOSA-N 1 0 329.375 4.282 20 5 EIBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc2cccnc2c([N+](=O)[O-])c1 ZINC001169689991 1060903216 /nfs/dbraw/zinc/90/32/16/1060903216.db2.gz KPGZQBXEUWOSIE-KRWDZBQOSA-N 1 0 348.406 4.383 20 5 EIBDRO [NH3+]CCc1cn(-c2nc3ccccc3c3ccccc32)c2cccnc12 ZINC001169710049 1060914228 /nfs/dbraw/zinc/91/42/28/1060914228.db2.gz WVFKKFCDLOKRER-UHFFFAOYSA-N 1 0 338.414 4.228 20 5 EIBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC=C(C)C2)cc1OC ZINC001169761286 1060948968 /nfs/dbraw/zinc/94/89/68/1060948968.db2.gz HGRXEBMTYOMWRP-CQSZACIVSA-N 1 0 348.443 4.180 20 5 EIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCCC[C@H]2c2ccco2)c1 ZINC000078831623 217130042 /nfs/dbraw/zinc/13/00/42/217130042.db2.gz FTFJFMUVJGAHKV-KRWDZBQOSA-N 1 0 330.384 4.184 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000532824355 1032332481 /nfs/dbraw/zinc/33/24/81/1032332481.db2.gz AIWJTUFZTAGSSU-UHFFFAOYSA-N 1 0 346.814 4.292 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533019992 1032448703 /nfs/dbraw/zinc/44/87/03/1032448703.db2.gz HKCGDLNNDZFLNU-AWEZNQCLSA-N 1 0 348.406 4.321 20 5 EIBDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000475742973 1032555687 /nfs/dbraw/zinc/55/56/87/1032555687.db2.gz VNJIWMRBVHCOEJ-HZSPNIEDSA-N 1 0 329.400 4.116 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cccc2ccccc21 ZINC001167050336 1018874807 /nfs/dbraw/zinc/87/48/07/1018874807.db2.gz YLQCWVCKHWGJJC-UHFFFAOYSA-N 1 0 336.391 4.389 20 5 EIBDRO CSC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000430192474 1019108930 /nfs/dbraw/zinc/10/89/30/1019108930.db2.gz ATQIIDKRHQZIRB-CQSZACIVSA-N 1 0 346.452 4.430 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3ccccc3F)o2)cc1 ZINC000608835553 1019267336 /nfs/dbraw/zinc/26/73/36/1019267336.db2.gz XGNVQHFDJYEYQO-UHFFFAOYSA-N 1 0 340.354 4.326 20 5 EIBDRO Cc1c([C@H](C)NC2CC[NH+](C3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000157534035 1019416525 /nfs/dbraw/zinc/41/65/25/1019416525.db2.gz ZIJYNWVZJIPHHR-INIZCTEOSA-N 1 0 345.487 4.351 20 5 EIBDRO CCC[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000164990894 1019841770 /nfs/dbraw/zinc/84/17/70/1019841770.db2.gz OSAAMJWAFYLKOJ-GOSISDBHSA-N 1 0 341.411 4.054 20 5 EIBDRO CC(C)C[C@H](CNc1cccnc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000609513150 1019957568 /nfs/dbraw/zinc/95/75/68/1019957568.db2.gz DVXIAYPCIIKHOK-DOTOQJQBSA-N 1 0 342.443 4.167 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C[C@H](C)O)c2ccccc2)cc1[N+](=O)[O-] ZINC000246914749 1020187477 /nfs/dbraw/zinc/18/74/77/1020187477.db2.gz FUQNAWZMISODDD-BXWFABGCSA-N 1 0 342.439 4.109 20 5 EIBDRO C[NH2+]Cc1cn(-c2ncc([N+](=O)[O-])c3ccccc32)c2ccc(C)cc12 ZINC001167123238 1020267236 /nfs/dbraw/zinc/26/72/36/1020267236.db2.gz IOWXYBBVOKDXHH-UHFFFAOYSA-N 1 0 346.390 4.115 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)c(NC2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000547789721 1020312723 /nfs/dbraw/zinc/31/27/23/1020312723.db2.gz CBFLAVZLZVVNDR-UHFFFAOYSA-N 1 0 344.242 4.188 20 5 EIBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC12CCOCC2 ZINC001167186281 1020503154 /nfs/dbraw/zinc/50/31/54/1020503154.db2.gz CUXMRTLRVZORBI-SFHVURJKSA-N 1 0 346.471 4.402 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000247116669 1020519502 /nfs/dbraw/zinc/51/95/02/1020519502.db2.gz UIGFNYVJCDUSOK-CWFSZBLJSA-N 1 0 340.423 4.474 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(OC(F)(F)F)c1 ZINC000175750851 1020823345 /nfs/dbraw/zinc/82/33/45/1020823345.db2.gz GJXYLVCOKFZZKP-NSHDSACASA-N 1 0 340.301 4.344 20 5 EIBDRO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000610271440 1020834198 /nfs/dbraw/zinc/83/41/98/1020834198.db2.gz HYMVTDVDGJLBOV-ZDUSSCGKSA-N 1 0 332.400 4.148 20 5 EIBDRO CCOc1cc(C[NH2+][C@@H](c2ccccn2)C2CCC2)ccc1[N+](=O)[O-] ZINC000599574118 1020893675 /nfs/dbraw/zinc/89/36/75/1020893675.db2.gz OLALOTBOMGBLOZ-LJQANCHMSA-N 1 0 341.411 4.020 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000180094342 1021753234 /nfs/dbraw/zinc/75/32/34/1021753234.db2.gz YCETYQAIBXWOQG-LJQANCHMSA-N 1 0 326.396 4.153 20 5 EIBDRO CC(C)(C)OC1CC(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000580328009 1021858813 /nfs/dbraw/zinc/85/88/13/1021858813.db2.gz HLRWRMJMRXTTLD-KVULBXGLSA-N 1 0 332.444 4.156 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1cncc(F)c1 ZINC000414133691 1021914603 /nfs/dbraw/zinc/91/46/03/1021914603.db2.gz BVZGYCBFLGDEFA-SUNYJGFJSA-N 1 0 343.402 4.191 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000468627354 1022070443 /nfs/dbraw/zinc/07/04/43/1022070443.db2.gz MNTXQTITEPGSGE-GDNBJRDFSA-N 1 0 349.390 4.443 20 5 EIBDRO CCOCc1ccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000892555408 1022121155 /nfs/dbraw/zinc/12/11/55/1022121155.db2.gz SIGWDLDLJIUXJR-UHFFFAOYSA-N 1 0 334.803 4.075 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nccs1 ZINC000414209167 1022150504 /nfs/dbraw/zinc/15/05/04/1022150504.db2.gz KDJZUTXHAHKRFY-RYUDHWBXSA-N 1 0 337.470 4.273 20 5 EIBDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000549037503 1022199730 /nfs/dbraw/zinc/19/97/30/1022199730.db2.gz HHJZUZDCGBSARR-XIKOKIGWSA-N 1 0 344.386 4.389 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000471611688 1022391915 /nfs/dbraw/zinc/39/19/15/1022391915.db2.gz CVAWLUCLQZBWFN-FTRWYGJKSA-N 1 0 341.455 4.245 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120196352 1022458642 /nfs/dbraw/zinc/45/86/42/1022458642.db2.gz LGHJANTVEJUJQR-LJQANCHMSA-N 1 0 341.411 4.184 20 5 EIBDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000378187202 1022504969 /nfs/dbraw/zinc/50/49/69/1022504969.db2.gz ZKDBQEGCIIVMBY-GUYCJALGSA-N 1 0 342.395 4.086 20 5 EIBDRO C[C@H]([NH2+]Cc1csc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000397354341 1033062870 /nfs/dbraw/zinc/06/28/70/1033062870.db2.gz VRZIMESBRPMWFI-VIFPVBQESA-N 1 0 341.230 4.270 20 5 EIBDRO COCCCCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180331188 1022553604 /nfs/dbraw/zinc/55/36/04/1022553604.db2.gz LCTMISUQBMWHDB-LJQANCHMSA-N 1 0 328.412 4.091 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)c2cccnc2)cc1[N+](=O)[O-] ZINC000414334840 1022593385 /nfs/dbraw/zinc/59/33/85/1022593385.db2.gz NTKUFBKUHLOLME-AWEZNQCLSA-N 1 0 343.427 4.017 20 5 EIBDRO Cc1csc(CCCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000160664717 1022613685 /nfs/dbraw/zinc/61/36/85/1022613685.db2.gz AOIJOIWNFLWMKZ-CQSZACIVSA-N 1 0 333.457 4.342 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@H+](CCc2c(F)cccc2F)C2CC2)c1 ZINC001167734190 1022617959 /nfs/dbraw/zinc/61/79/59/1022617959.db2.gz KKHFQUHEYKKCLS-UHFFFAOYSA-N 1 0 332.350 4.080 20 5 EIBDRO CC(C)c1ccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180407556 1022632919 /nfs/dbraw/zinc/63/29/19/1022632919.db2.gz MIMHXSQEKZCJGO-CQSZACIVSA-N 1 0 341.411 4.008 20 5 EIBDRO COc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000378405695 1022806419 /nfs/dbraw/zinc/80/64/19/1022806419.db2.gz SEXIBGOBOBHKPV-CZUORRHYSA-N 1 0 342.395 4.086 20 5 EIBDRO CCOCCCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000236846686 1023055425 /nfs/dbraw/zinc/05/54/25/1023055425.db2.gz LEBZSGSESIICKH-UHFFFAOYSA-N 1 0 334.441 4.230 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(CN(Cc3ccco3)C3CCCC3)nc2c1 ZINC000610581207 1023220952 /nfs/dbraw/zinc/22/09/52/1023220952.db2.gz NLGPUUFKEGSHOW-UHFFFAOYSA-N 1 0 341.367 4.274 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cccc2cccnc21)C1CC1 ZINC000135237840 1023223420 /nfs/dbraw/zinc/22/34/20/1023223420.db2.gz LDBQJRGFVARHGR-UHFFFAOYSA-N 1 0 333.391 4.308 20 5 EIBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@H](C)O1 ZINC000414510971 1023247052 /nfs/dbraw/zinc/24/70/52/1023247052.db2.gz GDLSQWNFZPBBNI-RDBSUJKOSA-N 1 0 346.452 4.226 20 5 EIBDRO CCOCCC1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417303684 1023247653 /nfs/dbraw/zinc/24/76/53/1023247653.db2.gz ATHPHFFHWHHBKC-GOSISDBHSA-N 1 0 332.444 4.159 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC2(CCOCC2)[C@H]1C(C)C ZINC000414523133 1023248607 /nfs/dbraw/zinc/24/86/07/1023248607.db2.gz CVHQFVPASMIICB-JVCXIRSZSA-N 1 0 344.455 4.135 20 5 EIBDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000414552042 1023254916 /nfs/dbraw/zinc/25/49/16/1023254916.db2.gz GIGCACYOLWPJDY-KUZNAAJDSA-N 1 0 338.407 4.010 20 5 EIBDRO COCc1ccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417320608 1023262039 /nfs/dbraw/zinc/26/20/39/1023262039.db2.gz KCHLQVZWCOFION-FQEVSTJZSA-N 1 0 340.423 4.299 20 5 EIBDRO CCc1nc(C)c(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)o1 ZINC000417325990 1023266638 /nfs/dbraw/zinc/26/66/38/1023266638.db2.gz CQVPPGXIZXHMFN-INIZCTEOSA-N 1 0 329.400 4.011 20 5 EIBDRO CCC[C@@H]([NH2+][C@@H]1COCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000417399936 1023306645 /nfs/dbraw/zinc/30/66/45/1023306645.db2.gz IWFIQSMRZKXYBN-RTBURBONSA-N 1 0 326.396 4.297 20 5 EIBDRO C[C@@H]([NH2+]CCC(C)(C)O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000480722181 1023328434 /nfs/dbraw/zinc/32/84/34/1023328434.db2.gz BCSJJLWLOGXAOT-GFCCVEGCSA-N 1 0 334.441 4.135 20 5 EIBDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000126566699 1023368524 /nfs/dbraw/zinc/36/85/24/1023368524.db2.gz XOUAYJYQQSBTDS-HNNXBMFYSA-N 1 0 344.411 4.103 20 5 EIBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133693 1023467100 /nfs/dbraw/zinc/46/71/00/1023467100.db2.gz CBVIPPNTAUSFOJ-AZUAARDMSA-N 1 0 340.423 4.195 20 5 EIBDRO O=[N+]([O-])c1cccc(CNCc2cc(Cl)ccc2OC(F)F)c1 ZINC000122444732 1023561152 /nfs/dbraw/zinc/56/11/52/1023561152.db2.gz RNSOIDOLPJGMPD-UHFFFAOYSA-N 1 0 342.729 4.139 20 5 EIBDRO CSCCCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000480770461 1023581439 /nfs/dbraw/zinc/58/14/39/1023581439.db2.gz KROZMELAKUPZEI-WBVHZDCISA-N 1 0 336.501 4.429 20 5 EIBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cc2cccnc2c2ncccc12 ZINC001167752874 1023627323 /nfs/dbraw/zinc/62/73/23/1023627323.db2.gz IFWLGULVBHPDFQ-INIZCTEOSA-N 1 0 334.467 4.459 20 5 EIBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cc2cccnc2c2ncccc12 ZINC001167752877 1023627525 /nfs/dbraw/zinc/62/75/25/1023627525.db2.gz IFWLGULVBHPDFQ-MRXNPFEDSA-N 1 0 334.467 4.459 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1)c1ccccc1[N+](=O)[O-] ZINC000925694772 1023789013 /nfs/dbraw/zinc/78/90/13/1023789013.db2.gz SUCOUVFWVMDKJT-UONOGXRCSA-N 1 0 328.412 4.234 20 5 EIBDRO C[C@H]([NH3+])c1ccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000178255327 1023877190 /nfs/dbraw/zinc/87/71/90/1023877190.db2.gz QNUHHDHIXOYMES-LBPRGKRZSA-N 1 0 341.411 4.164 20 5 EIBDRO CCN(CC)c1ccc(Nc2ccc([N+](=O)[O-])c3cnccc23)cn1 ZINC000108085396 1023994109 /nfs/dbraw/zinc/99/41/09/1023994109.db2.gz FJXLVPSRVWVFJL-UHFFFAOYSA-N 1 0 337.383 4.128 20 5 EIBDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000610580771 1024107858 /nfs/dbraw/zinc/10/78/58/1024107858.db2.gz HHTOOYAZZSTJBB-KRWDZBQOSA-N 1 0 337.379 4.382 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]3C3CCCCC3)nc2c1 ZINC000610581306 1024116114 /nfs/dbraw/zinc/11/61/14/1024116114.db2.gz WJYYRRGAHNZTIN-INIZCTEOSA-N 1 0 329.400 4.281 20 5 EIBDRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582763 1024168355 /nfs/dbraw/zinc/16/83/55/1024168355.db2.gz WWYWLJZGHJFNRE-OAHLLOKOSA-N 1 0 339.395 4.189 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCO[C@@H]3CCC[C@@H]32)s1 ZINC000510685113 1024231335 /nfs/dbraw/zinc/23/13/35/1024231335.db2.gz UCGRGWOYENGMPK-DLBZAZTESA-N 1 0 344.436 4.077 20 5 EIBDRO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000111310847 1024359379 /nfs/dbraw/zinc/35/93/79/1024359379.db2.gz LGGQDADVVSJHED-MRXNPFEDSA-N 1 0 331.441 4.178 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ncoc1-c1ccccc1 ZINC000610787102 1024852707 /nfs/dbraw/zinc/85/27/07/1024852707.db2.gz URXRITSMVHKNFL-POHAHGRESA-N 1 0 335.363 4.053 20 5 EIBDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000510959896 1024866104 /nfs/dbraw/zinc/86/61/04/1024866104.db2.gz QHYXJDDKKBGQRY-SJCJKPOMSA-N 1 0 344.386 4.389 20 5 EIBDRO COc1ccccc1OCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000610810315 1024994729 /nfs/dbraw/zinc/99/47/29/1024994729.db2.gz FBTWCTNPGBRTSE-OAHLLOKOSA-N 1 0 344.411 4.032 20 5 EIBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)s1 ZINC000065208835 1025174632 /nfs/dbraw/zinc/17/46/32/1025174632.db2.gz OSGCQTJPIDRWNB-UHFFFAOYSA-N 1 0 340.832 4.211 20 5 EIBDRO COc1cc(C)c(C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000024802636 1025297206 /nfs/dbraw/zinc/29/72/06/1025297206.db2.gz QLRVPXNYTLTYFY-AWEZNQCLSA-N 1 0 344.411 4.113 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000538406204 1025394542 /nfs/dbraw/zinc/39/45/42/1025394542.db2.gz SQAVKPBECWYAJK-LXIYXOSZSA-N 1 0 332.375 4.161 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccncc1F ZINC000511002334 1025418526 /nfs/dbraw/zinc/41/85/26/1025418526.db2.gz VGSQHBHLODTOJL-CHWSQXEVSA-N 1 0 349.431 4.350 20 5 EIBDRO Cn1cccc1[C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000538725519 1025511301 /nfs/dbraw/zinc/51/13/01/1025511301.db2.gz ZYAXRUDODSWLFB-MBNRZODZSA-N 1 0 325.412 4.174 20 5 EIBDRO CC(C)[NH+](CCNC(=O)c1cc2ccccc2c2cccnc12)C(C)C ZINC000058489549 1025545440 /nfs/dbraw/zinc/54/54/40/1025545440.db2.gz RQQCCSQXXMVZMK-UHFFFAOYSA-N 1 0 349.478 4.237 20 5 EIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1cccc([N+](=O)[O-])c1 ZINC000343968778 1025680807 /nfs/dbraw/zinc/68/08/07/1025680807.db2.gz BIPBWNZGXIUWHS-GFCCVEGCSA-N 1 0 327.359 4.109 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000511036394 1025775026 /nfs/dbraw/zinc/77/50/26/1025775026.db2.gz FUCMRFVPNHTHHO-PMUMKWKESA-N 1 0 343.402 4.191 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000119708108 1025873660 /nfs/dbraw/zinc/87/36/60/1025873660.db2.gz WUNBIEUMRDBPSF-OLZOCXBDSA-N 1 0 329.356 4.223 20 5 EIBDRO CC(C)[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000539216358 1025880549 /nfs/dbraw/zinc/88/05/49/1025880549.db2.gz UVQAPTFBDPMWFT-LJQANCHMSA-N 1 0 327.428 4.299 20 5 EIBDRO CC(C)Oc1ccc([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000539264877 1025919440 /nfs/dbraw/zinc/91/94/40/1025919440.db2.gz LXDLUKQKDIDVER-OAHLLOKOSA-N 1 0 344.411 4.112 20 5 EIBDRO C[C@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2ccsc2S1 ZINC000344090277 1025996336 /nfs/dbraw/zinc/99/63/36/1025996336.db2.gz LYTSNPAGJLXEAE-SMDDNHRTSA-N 1 0 334.466 4.414 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@H](CCO)c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000279124604 1026113663 /nfs/dbraw/zinc/11/36/63/1026113663.db2.gz QHXXCWPMUNXRED-MOPGFXCFSA-N 1 0 340.423 4.031 20 5 EIBDRO Cc1ccc(C[NH2+][C@H](c2ncccc2C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000934288691 1026154717 /nfs/dbraw/zinc/15/47/17/1026154717.db2.gz XIBPPOBDVDFVCX-GOSISDBHSA-N 1 0 327.428 4.484 20 5 EIBDRO CC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000184298794 1026391363 /nfs/dbraw/zinc/39/13/63/1026391363.db2.gz OHFXGHVBYONGGZ-INIZCTEOSA-N 1 0 332.375 4.292 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000342731985 1026426821 /nfs/dbraw/zinc/42/68/21/1026426821.db2.gz ZGRMRUHNNBGHML-GOSISDBHSA-N 1 0 326.396 4.161 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2c(Cl)ccc3cccnc32)cc1 ZINC000611585621 1026452143 /nfs/dbraw/zinc/45/21/43/1026452143.db2.gz YLHDUXACVGMOGI-UHFFFAOYSA-N 1 0 341.798 4.129 20 5 EIBDRO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000507133468 1026657819 /nfs/dbraw/zinc/65/78/19/1026657819.db2.gz ZAKQKPBOAUHUKN-UHFFFAOYSA-N 1 0 348.406 4.042 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]CCc2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000507424958 1026788758 /nfs/dbraw/zinc/78/87/58/1026788758.db2.gz FNUHRYFWKZPXDU-NSHDSACASA-N 1 0 338.329 4.214 20 5 EIBDRO Cc1cccnc1[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000120857228 1026820038 /nfs/dbraw/zinc/82/00/38/1026820038.db2.gz ICNYLWUQMZDXEQ-MRXNPFEDSA-N 1 0 333.819 4.439 20 5 EIBDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000479480014 1026822470 /nfs/dbraw/zinc/82/24/70/1026822470.db2.gz MUCIJLJMGLGOGB-VQIMIIECSA-N 1 0 342.439 4.283 20 5 EIBDRO C[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(F)(F)F ZINC000479589540 1026847202 /nfs/dbraw/zinc/84/72/02/1026847202.db2.gz JBOWMGUNJYFEPQ-SECBINFHSA-N 1 0 345.346 4.006 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1cnn(CC2CCC2)c1 ZINC000934561617 1026876667 /nfs/dbraw/zinc/87/66/67/1026876667.db2.gz GDXADMSFMQWFSP-CABCVRRESA-N 1 0 342.443 4.312 20 5 EIBDRO COCCC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000479879634 1026905526 /nfs/dbraw/zinc/90/55/26/1026905526.db2.gz BISYFZURPCCEBU-VQHVLOKHSA-N 1 0 332.444 4.185 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CC(C)(C)Cc3oc(C)cc32)cc1[N+](=O)[O-] ZINC000237360957 1027257146 /nfs/dbraw/zinc/25/71/46/1027257146.db2.gz WEVKJDSWGXGGNQ-HNNXBMFYSA-N 1 0 344.411 4.308 20 5 EIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCC(C(F)(F)F)CC1 ZINC000474727709 1027445315 /nfs/dbraw/zinc/44/53/15/1027445315.db2.gz BMNKSJJAAKPVEB-LRVUVFPRSA-N 1 0 344.377 4.484 20 5 EIBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000163241925 1027453007 /nfs/dbraw/zinc/45/30/07/1027453007.db2.gz PCIOZUFIFUNOMY-YOEHRIQHSA-N 1 0 343.427 4.351 20 5 EIBDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000441414659 1027537147 /nfs/dbraw/zinc/53/71/47/1027537147.db2.gz KLKOCZBFQMTZAV-CYBMUJFWSA-N 1 0 348.830 4.320 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000544386534 1027672686 /nfs/dbraw/zinc/67/26/86/1027672686.db2.gz XJCYTWCWWBGJIX-CWTRNNRKSA-N 1 0 344.386 4.156 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184486692 1027722258 /nfs/dbraw/zinc/72/22/58/1027722258.db2.gz YPECZGPFXWWMNA-JKSUJKDBSA-N 1 0 348.443 4.018 20 5 EIBDRO CCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC)cc1 ZINC000178728419 1027775234 /nfs/dbraw/zinc/77/52/34/1027775234.db2.gz IBQNQJGPZSBNRK-SFHVURJKSA-N 1 0 344.411 4.243 20 5 EIBDRO Cc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000582992422 1027814096 /nfs/dbraw/zinc/81/40/96/1027814096.db2.gz DSUFPRDWRWOUKZ-OKILXGFUSA-N 1 0 330.350 4.456 20 5 EIBDRO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000444675376 1027955354 /nfs/dbraw/zinc/95/53/54/1027955354.db2.gz LWGOMLJRJCYQEH-XJKSGUPXSA-N 1 0 344.415 4.045 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000444008349 1028729311 /nfs/dbraw/zinc/72/93/11/1028729311.db2.gz HVCKZRGJEXKHSR-RVDMUPIBSA-N 1 0 337.423 4.062 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000248643120 1029007985 /nfs/dbraw/zinc/00/79/85/1029007985.db2.gz YPECZGPFXWWMNA-CVEARBPZSA-N 1 0 348.443 4.018 20 5 EIBDRO C[C@H](CCCC(F)(F)F)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000583958414 1029415428 /nfs/dbraw/zinc/41/54/28/1029415428.db2.gz NDFXKJPEORIDBY-LLVKDONJSA-N 1 0 343.349 4.329 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000475329173 1029541261 /nfs/dbraw/zinc/54/12/61/1029541261.db2.gz AVYMYEIKCBULLO-XJKSGUPXSA-N 1 0 332.350 4.299 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)c1 ZINC000525267526 1029553798 /nfs/dbraw/zinc/55/37/98/1029553798.db2.gz USRMJNGRVAPZNN-INIZCTEOSA-N 1 0 328.437 4.209 20 5 EIBDRO CCO[C@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000446857516 1029611230 /nfs/dbraw/zinc/61/12/30/1029611230.db2.gz VTUZDCNDYWBCRU-OXJNMPFZSA-N 1 0 342.439 4.283 20 5 EIBDRO CC(C)C[C@@H]1CCCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000525410856 1029623930 /nfs/dbraw/zinc/62/39/30/1029623930.db2.gz MLYNIZQWPVEFCI-KRWDZBQOSA-N 1 0 348.443 4.252 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc3[nH]ccc3c2)c(Cl)c1 ZINC000441230674 1029931697 /nfs/dbraw/zinc/93/16/97/1029931697.db2.gz VNKBYXUHEMHKKY-UHFFFAOYSA-N 1 0 329.787 4.062 20 5 EIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000525795196 1030022460 /nfs/dbraw/zinc/02/24/60/1030022460.db2.gz WOTKLHSTZJUXMB-HNNXBMFYSA-N 1 0 326.396 4.199 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1c[nH]c3ccccc13)CCC2 ZINC000447515095 1030111186 /nfs/dbraw/zinc/11/11/86/1030111186.db2.gz JJNRUDRNERHEAO-FQEVSTJZSA-N 1 0 335.407 4.286 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ccncc3)C2)c(Cl)c1 ZINC000451006885 1030173168 /nfs/dbraw/zinc/17/31/68/1030173168.db2.gz SOXKPRSDZXQOQG-AWEZNQCLSA-N 1 0 331.803 4.023 20 5 EIBDRO COC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000447589562 1030193777 /nfs/dbraw/zinc/19/37/77/1030193777.db2.gz YDUDFUYMDRLOJE-MOPGFXCFSA-N 1 0 344.386 4.089 20 5 EIBDRO CC(C)[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccnc1 ZINC000447578717 1030208538 /nfs/dbraw/zinc/20/85/38/1030208538.db2.gz GUBTUDKLOBNUJN-UXHICEINSA-N 1 0 339.439 4.397 20 5 EIBDRO CCc1cnccc1[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447579820 1030208734 /nfs/dbraw/zinc/20/87/34/1030208734.db2.gz LSGQZEKVRTYQIN-ORAYPTAESA-N 1 0 325.412 4.280 20 5 EIBDRO CC(C)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451100127 1030250252 /nfs/dbraw/zinc/25/02/52/1030250252.db2.gz QETGBGGMFFERGX-AWEZNQCLSA-N 1 0 341.411 4.008 20 5 EIBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1csc(Cl)c1 ZINC000527042763 1030420717 /nfs/dbraw/zinc/42/07/17/1030420717.db2.gz CNLIFBUEFHQEFD-SNVBAGLBSA-N 1 0 326.805 4.039 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](Cc1ccccn1)C(C)C ZINC000527304342 1030607436 /nfs/dbraw/zinc/60/74/36/1030607436.db2.gz BQLZQPSASQMHJD-LFIBNONCSA-N 1 0 325.412 4.304 20 5 EIBDRO COC1CCC(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000530694821 1030659620 /nfs/dbraw/zinc/65/96/20/1030659620.db2.gz OMPLFUPIJGGDAN-UHFFFAOYSA-N 1 0 344.411 4.150 20 5 EIBDRO COC1CCC(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000531171046 1030938027 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340.423 4.120 20 5 EIBDRO COc1ccc2c(c1)CC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C2 ZINC000612419760 1031501450 /nfs/dbraw/zinc/50/14/50/1031501450.db2.gz NPOGYMWTFCWISO-RHSMWYFYSA-N 1 0 340.423 4.120 20 5 EIBDRO COc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000531728051 1031506136 /nfs/dbraw/zinc/50/61/36/1031506136.db2.gz DELKLMNAJSUGTN-CABCVRRESA-N 1 0 344.411 4.030 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3C=CCCC3)o2)c([N+](=O)[O-])c1 ZINC000531810902 1031622545 /nfs/dbraw/zinc/62/25/45/1031622545.db2.gz FIDWPASHBPWKQJ-ZDUSSCGKSA-N 1 0 328.368 4.062 20 5 EIBDRO CC(C)[C@@H]1C[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000453323408 1031848448 /nfs/dbraw/zinc/84/84/48/1031848448.db2.gz UFONPAONQJSZRM-JVPBZIDWSA-N 1 0 332.444 4.013 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000449622251 1031883998 /nfs/dbraw/zinc/88/39/98/1031883998.db2.gz JORAXZLGLSPZMZ-FRFSOERESA-N 1 0 346.452 4.097 20 5 EIBDRO C[C@@H]([NH2+]CCC1(CO)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453365793 1031907588 /nfs/dbraw/zinc/90/75/88/1031907588.db2.gz WAARQKCKHGHMEP-CYBMUJFWSA-N 1 0 346.452 4.137 20 5 EIBDRO CC1(C)C[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000453409082 1031944304 /nfs/dbraw/zinc/94/43/04/1031944304.db2.gz HDWDAPATDRSYTD-JFIYKMOQSA-N 1 0 346.471 4.101 20 5 EIBDRO CC1(C)C[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000453409085 1031944663 /nfs/dbraw/zinc/94/46/63/1031944663.db2.gz HDWDAPATDRSYTD-SOLBZPMBSA-N 1 0 346.471 4.101 20 5 EIBDRO CSc1cccc(F)c1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000512566372 1033385605 /nfs/dbraw/zinc/38/56/05/1033385605.db2.gz WTCIBWIZSBDRJG-UHFFFAOYSA-N 1 0 340.807 4.399 20 5 EIBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573653712 1033420844 /nfs/dbraw/zinc/42/08/44/1033420844.db2.gz UBCQENULPDKFSG-LBPRGKRZSA-N 1 0 345.365 4.064 20 5 EIBDRO CSC1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000433066607 1033773636 /nfs/dbraw/zinc/77/36/36/1033773636.db2.gz KCVMNUXRUTVQKU-ZBFHGGJFSA-N 1 0 334.485 4.181 20 5 EIBDRO CSC1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000433066606 1033774553 /nfs/dbraw/zinc/77/45/53/1033774553.db2.gz KCVMNUXRUTVQKU-HOCLYGCPSA-N 1 0 334.485 4.181 20 5 EIBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCc2cccnc21 ZINC000614215658 1033803813 /nfs/dbraw/zinc/80/38/13/1033803813.db2.gz VHNZASGYNLMSHF-LJQANCHMSA-N 1 0 339.439 4.322 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC)cc1 ZINC000237004511 1033938679 /nfs/dbraw/zinc/93/86/79/1033938679.db2.gz DYXDHBZAGYIYNV-QGZVFWFLSA-N 1 0 334.803 4.498 20 5 EIBDRO COCc1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433157655 1033957856 /nfs/dbraw/zinc/95/78/56/1033957856.db2.gz NGLDKCJWGROYCD-LJQANCHMSA-N 1 0 340.423 4.253 20 5 EIBDRO CSC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC1 ZINC000433192744 1034018275 /nfs/dbraw/zinc/01/82/75/1034018275.db2.gz HUHBBKHAEJKRAM-UHFFFAOYSA-N 1 0 332.425 4.230 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]CCSCC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433220564 1034068805 /nfs/dbraw/zinc/06/88/05/1034068805.db2.gz PVYSPRKGCGDXKF-CYBMUJFWSA-N 1 0 348.390 4.202 20 5 EIBDRO Cc1ccc(C[NH2+]CCOc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000513649003 1035077908 /nfs/dbraw/zinc/07/79/08/1035077908.db2.gz UKSALUQVUAQWMU-UHFFFAOYSA-N 1 0 336.391 4.225 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595014143 1035505432 /nfs/dbraw/zinc/50/54/32/1035505432.db2.gz LHJJYLZCSSTUFU-QWHCGFSZSA-N 1 0 330.384 4.024 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000595031637 1035561391 /nfs/dbraw/zinc/56/13/91/1035561391.db2.gz ASVLPLJXAXBDJS-IAQYHMDHSA-N 1 0 332.425 4.393 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC000595039471 1035565127 /nfs/dbraw/zinc/56/51/27/1035565127.db2.gz PIJJSJWGHZWKKA-LLVKDONJSA-N 1 0 328.359 4.080 20 5 EIBDRO CC[C@H](C)[N@H+](C)CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491050205 1035790522 /nfs/dbraw/zinc/79/05/22/1035790522.db2.gz GZXUAQCZSXGTHL-JXFKEZNVSA-N 1 0 341.455 4.004 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595789235 1035792206 /nfs/dbraw/zinc/79/22/06/1035792206.db2.gz PVRVJJQIOOMAKW-FRQCXROJSA-N 1 0 332.444 4.245 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491061992 1035796633 /nfs/dbraw/zinc/79/66/33/1035796633.db2.gz PJFGFMXZMREVRC-QZTJIDSGSA-N 1 0 345.487 4.244 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000596118230 1035822970 /nfs/dbraw/zinc/82/29/70/1035822970.db2.gz TWLIAGLKFQXNQC-LLVKDONJSA-N 1 0 339.317 4.168 20 5 EIBDRO Cc1cc(N2CCCCCC2)ccc1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596230352 1035836677 /nfs/dbraw/zinc/83/66/77/1035836677.db2.gz JHIUNQIEDYKTJT-UHFFFAOYSA-N 1 0 342.399 4.128 20 5 EIBDRO COCC[C@H](C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414485201 1035897035 /nfs/dbraw/zinc/89/70/35/1035897035.db2.gz QTHQJFIGLQSRJS-ZDUSSCGKSA-N 1 0 334.441 4.086 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-c3cnco3)cc1)CCC2 ZINC000906524500 1036315338 /nfs/dbraw/zinc/31/53/38/1036315338.db2.gz DLTBPFIVVOOMQT-LJQANCHMSA-N 1 0 349.390 4.417 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC12CCSCC2 ZINC000421384212 1036343781 /nfs/dbraw/zinc/34/37/81/1036343781.db2.gz OYMGWVCLNPBWSU-IHWMJMDHSA-N 1 0 332.469 4.121 20 5 EIBDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000421388229 1036346372 /nfs/dbraw/zinc/34/63/72/1036346372.db2.gz PUTUPKYUCIHHCY-ZBFHGGJFSA-N 1 0 346.452 4.371 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000502597595 1036391257 /nfs/dbraw/zinc/39/12/57/1036391257.db2.gz WBWXYHGTYIMWBG-QWHCGFSZSA-N 1 0 342.386 4.470 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C1CC1 ZINC000502599416 1036395100 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1037132160 /nfs/dbraw/zinc/13/21/60/1037132160.db2.gz ZTJLQMDBHFOGTR-UHFFFAOYSA-N 1 0 331.441 4.041 20 5 EIBDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000590967182 1037215234 /nfs/dbraw/zinc/21/52/34/1037215234.db2.gz CZLNHLSNDFSFKO-BETUJISGSA-N 1 0 342.420 4.019 20 5 EIBDRO C[C@H]([NH2+]C(C)(C)CNc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000488067262 1037344238 /nfs/dbraw/zinc/34/42/38/1037344238.db2.gz QNCOWKQHZXDKPG-ZDUSSCGKSA-N 1 0 331.391 4.275 20 5 EIBDRO CCC1(O)CCC([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591347914 1037390300 /nfs/dbraw/zinc/39/03/00/1037390300.db2.gz BWRYXYKJRYZLJZ-OBONGRFPSA-N 1 0 332.444 4.036 20 5 EIBDRO C[C@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000591348041 1037391739 /nfs/dbraw/zinc/39/17/39/1037391739.db2.gz YBQYHSUYVFRNLX-KUHUBIRLSA-N 1 0 325.412 4.151 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2cc(Cl)cc(Cl)c2)c1 ZINC000604532740 1037428852 /nfs/dbraw/zinc/42/88/52/1037428852.db2.gz AVESQARPSPYCKI-UHFFFAOYSA-N 1 0 325.195 4.234 20 5 EIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCC2=CCCCC2)c1 ZINC000604532181 1037429659 /nfs/dbraw/zinc/42/96/59/1037429659.db2.gz GGZVFOPJUJZLKV-UHFFFAOYSA-N 1 0 326.343 4.176 20 5 EIBDRO COc1ccc(CN2CC(C)(C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000573334412 1037481659 /nfs/dbraw/zinc/48/16/59/1037481659.db2.gz PENRJLBJHJVJPF-INIZCTEOSA-N 1 0 332.425 4.248 20 5 EIBDRO CCCCCn1cc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000503271525 1037664054 /nfs/dbraw/zinc/66/40/54/1037664054.db2.gz WUJWQUIYSUKGBP-CSKARUKUSA-N 1 0 342.443 4.093 20 5 EIBDRO COCCN1CCC([NH2+]Cc2c3ccccc3cc3ccccc32)CC1 ZINC000237128961 1037741077 /nfs/dbraw/zinc/74/10/77/1037741077.db2.gz NRIJDEZSMCIVMP-UHFFFAOYSA-N 1 0 348.490 4.193 20 5 EIBDRO CC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1csc(C)c1 ZINC000592190957 1037779956 /nfs/dbraw/zinc/77/99/56/1037779956.db2.gz SPGAIOPRIYCHBB-AWEZNQCLSA-N 1 0 338.404 4.353 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1csc(C)c1 ZINC000592190958 1037782174 /nfs/dbraw/zinc/78/21/74/1037782174.db2.gz SPGAIOPRIYCHBB-CQSZACIVSA-N 1 0 338.404 4.353 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cscn1 ZINC000573982011 1037800350 /nfs/dbraw/zinc/80/03/50/1037800350.db2.gz BTVNLPWNFNVIKE-VXGBXAGGSA-N 1 0 337.470 4.273 20 5 EIBDRO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000058525466 1037833672 /nfs/dbraw/zinc/83/36/72/1037833672.db2.gz MFDFBZCJPUHFGP-GOSISDBHSA-N 1 0 340.423 4.119 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000593055289 1037917469 /nfs/dbraw/zinc/91/74/69/1037917469.db2.gz SCQUXFVZJBAHGJ-NSHDSACASA-N 1 0 346.324 4.331 20 5 EIBDRO CCOc1cc(C[NH2+][C@H](CC)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000594017251 1038208522 /nfs/dbraw/zinc/20/85/22/1038208522.db2.gz AAFPKAOVFIZGEO-MRXNPFEDSA-N 1 0 332.375 4.374 20 5 EIBDRO COc1cc(C[NH2+][C@H](c2ccccc2)C2CCC2)ccc1[N+](=O)[O-] ZINC000489974841 1038294286 /nfs/dbraw/zinc/29/42/86/1038294286.db2.gz BFAHVVNFFYCLED-LJQANCHMSA-N 1 0 326.396 4.234 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490056592 1038323115 /nfs/dbraw/zinc/32/31/15/1038323115.db2.gz PXYXSTSUQVJDED-WBVHZDCISA-N 1 0 325.412 4.232 20 5 EIBDRO COc1ccc([C@@H]2CC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000504519953 1038392169 /nfs/dbraw/zinc/39/21/69/1038392169.db2.gz BHJUEKPURFIZGB-RHSMWYFYSA-N 1 0 326.396 4.154 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000539052656 1038800941 /nfs/dbraw/zinc/80/09/41/1038800941.db2.gz OECUCIRTCLWCJK-CZUORRHYSA-N 1 0 338.398 4.474 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000539054112 1038802183 /nfs/dbraw/zinc/80/21/83/1038802183.db2.gz MWJZFZWERZZSHN-GFCCVEGCSA-N 1 0 334.803 4.150 20 5 EIBDRO CCCC[C@H](C)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000554959977 1038803640 /nfs/dbraw/zinc/80/36/40/1038803640.db2.gz FFYXWNFDZQHBCW-AWEZNQCLSA-N 1 0 331.416 4.303 20 5 EIBDRO CO[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000539083395 1038815503 /nfs/dbraw/zinc/81/55/03/1038815503.db2.gz IDQAEMJPHGTIIO-SJKOYZFVSA-N 1 0 334.803 4.287 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CCSc2ccccc2)cc1[N+](=O)[O-] ZINC000504896336 1038840792 /nfs/dbraw/zinc/84/07/92/1038840792.db2.gz YBJUIHLFLSITQC-AWEZNQCLSA-N 1 0 346.452 4.436 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CCOc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000504905437 1038846063 /nfs/dbraw/zinc/84/60/63/1038846063.db2.gz IMVMVFDUIHWIBG-HNNXBMFYSA-N 1 0 344.411 4.032 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)c3c2cccc3C)cc1[N+](=O)[O-] ZINC000504911291 1038849988 /nfs/dbraw/zinc/84/99/88/1038849988.db2.gz DKUNLUXYHDXPTA-CJNGLKHVSA-N 1 0 326.396 4.250 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ccccc1C)C(C)C ZINC000539260780 1038916974 /nfs/dbraw/zinc/91/69/74/1038916974.db2.gz HRFBZMXQXKXAIR-IBGZPJMESA-N 1 0 328.412 4.399 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000539260783 1038918422 /nfs/dbraw/zinc/91/84/22/1038918422.db2.gz HRFBZMXQXKXAIR-LJQANCHMSA-N 1 0 328.412 4.399 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000608837238 1038921587 /nfs/dbraw/zinc/92/15/87/1038921587.db2.gz LBCWFKMELSXJMC-ZZXKWVIFSA-N 1 0 326.371 4.416 20 5 EIBDRO CCOc1ccc(C(C)=O)cc1CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000539328025 1038992492 /nfs/dbraw/zinc/99/24/92/1038992492.db2.gz NJFUAPNBKCCTGY-CYBMUJFWSA-N 1 0 342.395 4.047 20 5 EIBDRO C[C@@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000555226023 1038993989 /nfs/dbraw/zinc/99/39/89/1038993989.db2.gz OPBUFTQMRNSYKT-ACJLOTCBSA-N 1 0 347.846 4.202 20 5 EIBDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534113818 1039114900 /nfs/dbraw/zinc/11/49/00/1039114900.db2.gz HTOPHBKLTLPZLO-QGZVFWFLSA-N 1 0 329.400 4.260 20 5 EIBDRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534108691 1039129407 /nfs/dbraw/zinc/12/94/07/1039129407.db2.gz STTWNPBVIBXMQW-MRXNPFEDSA-N 1 0 329.400 4.260 20 5 EIBDRO CC[NH+](CC)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000505261462 1039187198 /nfs/dbraw/zinc/18/71/98/1039187198.db2.gz WNFMXJCADYMTLB-UHFFFAOYSA-N 1 0 344.411 4.024 20 5 EIBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000505338707 1039224217 /nfs/dbraw/zinc/22/42/17/1039224217.db2.gz QMAJWWZIBRRKSH-CHWSQXEVSA-N 1 0 331.441 4.196 20 5 EIBDRO CCC1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000513823380 1039303644 /nfs/dbraw/zinc/30/36/44/1039303644.db2.gz TXHLMSCGTJOSEE-SJLPKXTDSA-N 1 0 346.471 4.102 20 5 EIBDRO COC1CCC(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000513825511 1039323855 /nfs/dbraw/zinc/32/38/55/1039323855.db2.gz DNMWHYMBRFJROM-KXWSQRDISA-N 1 0 346.471 4.101 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000552333330 1039388521 /nfs/dbraw/zinc/38/85/21/1039388521.db2.gz BKZKMWJVULTINV-KBPBESRZSA-N 1 0 338.411 4.143 20 5 EIBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000481416000 1039403909 /nfs/dbraw/zinc/40/39/09/1039403909.db2.gz YNCRMPFDWBKEJE-UGSOOPFHSA-N 1 0 348.830 4.422 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@H]3F)o2)c(Cl)c1 ZINC000555645403 1039485445 /nfs/dbraw/zinc/48/54/45/1039485445.db2.gz YSCZMMXXLYCKNW-CABCVRRESA-N 1 0 338.766 4.488 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H](c3cccnc3)C3CC3)o2)c1 ZINC000534645324 1039622796 /nfs/dbraw/zinc/62/27/96/1039622796.db2.gz ZMZUITXCJXDHFH-FQEVSTJZSA-N 1 0 349.390 4.491 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H](c2cccnc2)C2CCC2)cc1 ZINC000481657302 1039700660 /nfs/dbraw/zinc/70/06/60/1039700660.db2.gz HASVWGJJKSJITQ-FQEVSTJZSA-N 1 0 339.439 4.444 20 5 EIBDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000514184962 1039704204 /nfs/dbraw/zinc/70/42/04/1039704204.db2.gz AWDBEIYYKCDMJR-MRXNPFEDSA-N 1 0 328.387 4.249 20 5 EIBDRO Cc1cc(NCc2ccccc2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000514186454 1039736960 /nfs/dbraw/zinc/73/69/60/1039736960.db2.gz KMCBELAHPQNBJP-UHFFFAOYSA-N 1 0 325.412 4.111 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCO[C@H]2CCCc3ccccc32)cc1 ZINC000237980831 1039786546 /nfs/dbraw/zinc/78/65/46/1039786546.db2.gz MHECMGKALMSZRO-FQEVSTJZSA-N 1 0 340.423 4.169 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1F ZINC000192618524 1039824150 /nfs/dbraw/zinc/82/41/50/1039824150.db2.gz ZBBDPKYAUOBIFM-SGTLLEGYSA-N 1 0 344.386 4.471 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1F ZINC000192618492 1039824680 /nfs/dbraw/zinc/82/46/80/1039824680.db2.gz ZBBDPKYAUOBIFM-KPZWWZAWSA-N 1 0 344.386 4.471 20 5 EIBDRO COCc1ccccc1/C=C(/C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000510014467 1039851439 /nfs/dbraw/zinc/85/14/39/1039851439.db2.gz NZEJUPFZCGUTDC-QZFKAFNDSA-N 1 0 340.423 4.495 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCO2 ZINC000192640675 1039857781 /nfs/dbraw/zinc/85/77/81/1039857781.db2.gz MNIDTCZUZFABEX-SJCJKPOMSA-N 1 0 340.379 4.052 20 5 EIBDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123168583 1039890352 /nfs/dbraw/zinc/89/03/52/1039890352.db2.gz DZWWPTJLMAZWGM-LBPRGKRZSA-N 1 0 333.457 4.376 20 5 EIBDRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000481952376 1039908951 /nfs/dbraw/zinc/90/89/51/1039908951.db2.gz URMLTJIVSHAMJQ-OXQOHEQNSA-N 1 0 341.455 4.165 20 5 EIBDRO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000514518466 1039966380 /nfs/dbraw/zinc/96/63/80/1039966380.db2.gz UPPCINKZZXCKEX-UHFFFAOYSA-N 1 0 325.412 4.193 20 5 EIBDRO CCCC[NH+]1CCC(N[C@@H](CCC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000325116232 1040059564 /nfs/dbraw/zinc/05/95/64/1040059564.db2.gz NHIPPTVEMRFGHP-IBGZPJMESA-N 1 0 333.476 4.290 20 5 EIBDRO C[C@@H]1CCCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000482295648 1040148202 /nfs/dbraw/zinc/14/82/02/1040148202.db2.gz MINBXTUPZMLHPL-CYBMUJFWSA-N 1 0 331.441 4.340 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000482314543 1040166097 /nfs/dbraw/zinc/16/60/97/1040166097.db2.gz KAZUFHRIVPBCSY-TXPKVOOTSA-N 1 0 339.439 4.081 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000029842251 1040466282 /nfs/dbraw/zinc/46/62/82/1040466282.db2.gz SFOHJYNGADEHGZ-OAHLLOKOSA-N 1 0 340.423 4.404 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000435729216 1040565176 /nfs/dbraw/zinc/56/51/76/1040565176.db2.gz TYEYBOOZFWNZKO-CZIWCDLHSA-N 1 0 332.350 4.217 20 5 EIBDRO CSc1ccc(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000435751397 1040585233 /nfs/dbraw/zinc/58/52/33/1040585233.db2.gz RQJRXHOPABWDPO-XQRVVYSFSA-N 1 0 328.437 4.162 20 5 EIBDRO CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482949534 1040590317 /nfs/dbraw/zinc/59/03/17/1040590317.db2.gz WIQQJWDBCRAFSD-CHWSQXEVSA-N 1 0 334.441 4.135 20 5 EIBDRO CC[C@@H]([NH2+]CCCCc1nc(C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000160690598 1040674131 /nfs/dbraw/zinc/67/41/31/1040674131.db2.gz VMEZPAKWRJKJJF-MRXNPFEDSA-N 1 0 333.457 4.423 20 5 EIBDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000515365269 1040702427 /nfs/dbraw/zinc/70/24/27/1040702427.db2.gz PZCOUWVVPUPXGS-SZVBFZGTSA-N 1 0 332.444 4.156 20 5 EIBDRO Cn1cccc1C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000539818519 1040812728 /nfs/dbraw/zinc/81/27/28/1040812728.db2.gz UEHHFFRRTQUUNA-UHFFFAOYSA-N 1 0 341.436 4.294 20 5 EIBDRO C[C@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000515550939 1040849360 /nfs/dbraw/zinc/84/93/60/1040849360.db2.gz YWYQQPIIJRRJIG-ZDUSSCGKSA-N 1 0 325.840 4.172 20 5 EIBDRO C[C@H]1CCSCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000483428331 1040852317 /nfs/dbraw/zinc/85/23/17/1040852317.db2.gz VNZDEDGRUNLJTH-ZDUSSCGKSA-N 1 0 332.425 4.182 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]C[C@H](C)Oc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000483541411 1040887131 /nfs/dbraw/zinc/88/71/31/1040887131.db2.gz GOLKYLFRGUJYHK-GXTWGEPZSA-N 1 0 332.375 4.160 20 5 EIBDRO Cc1ccc(C[NH2+]C[C@@H](C)Oc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000462744510 1040893842 /nfs/dbraw/zinc/89/38/42/1040893842.db2.gz HHRUFASPDARIFM-CYBMUJFWSA-N 1 0 334.803 4.114 20 5 EIBDRO Cc1ccc(C[NH2+]C[C@H](C)Oc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000462744512 1040894427 /nfs/dbraw/zinc/89/44/27/1040894427.db2.gz HHRUFASPDARIFM-ZDUSSCGKSA-N 1 0 334.803 4.114 20 5 EIBDRO COCCC1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCC1 ZINC000122323895 1040900216 /nfs/dbraw/zinc/90/02/16/1040900216.db2.gz FVUXXEHLWOZDRM-SFHVURJKSA-N 1 0 346.471 4.102 20 5 EIBDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000537964307 1040937173 /nfs/dbraw/zinc/93/71/73/1040937173.db2.gz MHUGJNGAIYZIIC-CKFHNAJUSA-N 1 0 344.411 4.030 20 5 EIBDRO CC[C@@H]([NH2+]C[C@@H](C)Oc1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000483656468 1040953623 /nfs/dbraw/zinc/95/36/23/1040953623.db2.gz QUFBJNLPODXPHM-AUUYWEPGSA-N 1 0 344.411 4.112 20 5 EIBDRO COCC(C)(C)CCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000554373883 1041058829 /nfs/dbraw/zinc/05/88/29/1041058829.db2.gz MZAOSFZBVCZVQG-WMZOPIPTSA-N 1 0 348.487 4.348 20 5 EIBDRO CC[NH+]1CCC(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000462892037 1041074734 /nfs/dbraw/zinc/07/47/34/1041074734.db2.gz AQXXXNQWFSRSFB-UHFFFAOYSA-N 1 0 345.365 4.148 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)c1ccccc1[N+](=O)[O-] ZINC000538194418 1041161346 /nfs/dbraw/zinc/16/13/46/1041161346.db2.gz JNCQZUGOWWQDKF-LSDHHAIUSA-N 1 0 336.395 4.192 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc3c2NCCC3)cc1[N+](=O)[O-] ZINC000894315377 1041256130 /nfs/dbraw/zinc/25/61/30/1041256130.db2.gz FCLSNJAKDVKHOU-CQSZACIVSA-N 1 0 325.412 4.112 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463036569 1041258864 /nfs/dbraw/zinc/25/88/64/1041258864.db2.gz USXFXUUGHAMJFZ-CABCVRRESA-N 1 0 330.350 4.456 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H]1SCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000484473219 1041266247 /nfs/dbraw/zinc/26/62/47/1041266247.db2.gz JFTHAPCZOLQGGT-ACJLOTCBSA-N 1 0 328.437 4.276 20 5 EIBDRO COc1ccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000484501997 1041280967 /nfs/dbraw/zinc/28/09/67/1041280967.db2.gz JNIBJCIOFXPDOZ-GFCCVEGCSA-N 1 0 334.803 4.150 20 5 EIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2ccc(C3CC3)cc2)c1 ZINC000480462462 1041317889 /nfs/dbraw/zinc/31/78/89/1041317889.db2.gz QOHNYXGVTYRPCZ-UHFFFAOYSA-N 1 0 348.349 4.363 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000480477939 1041319247 /nfs/dbraw/zinc/31/92/47/1041319247.db2.gz BYZYVOHJFAMBIM-DBWMJRBXSA-N 1 0 330.428 4.080 20 5 EIBDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540324581 1041382851 /nfs/dbraw/zinc/38/28/51/1041382851.db2.gz BTELTJLNFBWJMB-GUYCJALGSA-N 1 0 346.452 4.228 20 5 EIBDRO Cc1cc(C[NH+](C)C)cc(N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000538545473 1041403517 /nfs/dbraw/zinc/40/35/17/1041403517.db2.gz ULAMKIFEPCNADI-HNNXBMFYSA-N 1 0 327.428 4.446 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505861285 1041425465 /nfs/dbraw/zinc/42/54/65/1041425465.db2.gz CHCRBDYMLUBPEL-HOTGVXAUSA-N 1 0 326.396 4.057 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ccc(Cl)cn3)C2)cc1 ZINC000516148351 1041429229 /nfs/dbraw/zinc/42/92/29/1041429229.db2.gz KESXPSLSIMKNSD-CQSZACIVSA-N 1 0 331.803 4.023 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1C[C@@H](C)O[C@@H](C)C1 ZINC000554936823 1041499125 /nfs/dbraw/zinc/49/91/25/1041499125.db2.gz ANCPHIJRDAWOPM-KUPLSLMDSA-N 1 0 332.444 4.181 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000554947372 1041506768 /nfs/dbraw/zinc/50/67/68/1041506768.db2.gz ZENVQQQLCFXIIU-YWZLYKJASA-N 1 0 338.407 4.126 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000540607878 1041561490 /nfs/dbraw/zinc/56/14/90/1041561490.db2.gz GCRYXZFSTSADSS-VFVRVIDISA-N 1 0 332.375 4.161 20 5 EIBDRO COc1ccc([C@@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000595408204 1041621648 /nfs/dbraw/zinc/62/16/48/1041621648.db2.gz JKVOORMZDQAOKH-SFHVURJKSA-N 1 0 332.375 4.229 20 5 EIBDRO CC(C)N(C)c1ccccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000437100384 1041645757 /nfs/dbraw/zinc/64/57/57/1041645757.db2.gz WOBLVYCJKFYRMM-HNNXBMFYSA-N 1 0 327.428 4.290 20 5 EIBDRO CC(C)N(C)c1ccccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000437111442 1041655099 /nfs/dbraw/zinc/65/50/99/1041655099.db2.gz QFEUOFBDVISNKW-OAHLLOKOSA-N 1 0 327.428 4.290 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000540917445 1041738593 /nfs/dbraw/zinc/73/85/93/1041738593.db2.gz UGZSGRGZELLXSS-AWEZNQCLSA-N 1 0 343.427 4.326 20 5 EIBDRO CC[NH+](CC)CCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491304581 1041765631 /nfs/dbraw/zinc/76/56/31/1041765631.db2.gz KJDAMCRYRADSHX-HXUWFJFHSA-N 1 0 341.455 4.006 20 5 EIBDRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000460351952 1041815952 /nfs/dbraw/zinc/81/59/52/1041815952.db2.gz BLPSPJRPXZPCAK-XJKSGUPXSA-N 1 0 344.415 4.093 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC3(CCCC3)C1)CCC2 ZINC000193028964 1041818195 /nfs/dbraw/zinc/81/81/95/1041818195.db2.gz FCDOQOAUJFVWJE-QAPCUYQASA-N 1 0 330.428 4.054 20 5 EIBDRO Cc1cc(N2CCO[C@H](c3ccccc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000541173855 1041833351 /nfs/dbraw/zinc/83/33/51/1041833351.db2.gz SJFUYKQBZITANF-FQEVSTJZSA-N 1 0 349.390 4.029 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H](c3ccccc3)C3CC3)c2c1 ZINC000516994178 1041833719 /nfs/dbraw/zinc/83/37/19/1041833719.db2.gz NMPMZPAPGYFYOF-FQEVSTJZSA-N 1 0 335.407 4.360 20 5 EIBDRO O=[N+]([O-])c1ccccc1CN(Cc1cc2c(cccc2F)[nH]1)C1CC1 ZINC000437577699 1041844568 /nfs/dbraw/zinc/84/45/68/1041844568.db2.gz MRRNGJGEYKSYMF-UHFFFAOYSA-N 1 0 339.370 4.380 20 5 EIBDRO COc1ccc(C[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000464053023 1041849239 /nfs/dbraw/zinc/84/92/39/1041849239.db2.gz QUGZZGMIVNYEJE-QGZVFWFLSA-N 1 0 346.402 4.099 20 5 EIBDRO Cc1ccc(C[N@@H+](C)Cc2ccccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000506149043 1041942389 /nfs/dbraw/zinc/94/23/89/1041942389.db2.gz AVHHMHUYRISDTL-UHFFFAOYSA-N 1 0 339.439 4.135 20 5 EIBDRO COc1cc(C[NH2+][C@@H](c2ccccc2C)C2CC2)c([N+](=O)[O-])cc1F ZINC000464488542 1042036188 /nfs/dbraw/zinc/03/61/88/1042036188.db2.gz BKXWQHOGWLDAIR-LJQANCHMSA-N 1 0 344.386 4.292 20 5 EIBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000090176534 1042057003 /nfs/dbraw/zinc/05/70/03/1042057003.db2.gz LIYZFUSEZBBZLJ-UGSOOPFHSA-N 1 0 332.375 4.081 20 5 EIBDRO CCC[N@H+](CCc1cccs1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000464583410 1042075713 /nfs/dbraw/zinc/07/57/13/1042075713.db2.gz CHDQGUPTVIBKCT-UHFFFAOYSA-N 1 0 345.424 4.252 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000541756565 1042094450 /nfs/dbraw/zinc/09/44/50/1042094450.db2.gz OXXMNQWXGHSBCE-GXTWGEPZSA-N 1 0 330.350 4.362 20 5 EIBDRO COc1ccc(CC(C)(C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000438343114 1042144628 /nfs/dbraw/zinc/14/46/28/1042144628.db2.gz WFIBNXYDJZLMSQ-VURMDHGXSA-N 1 0 340.423 4.228 20 5 EIBDRO COc1ccc(CC(C)(C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000438343112 1042145057 /nfs/dbraw/zinc/14/50/57/1042145057.db2.gz WFIBNXYDJZLMSQ-SOFGYWHQSA-N 1 0 340.423 4.228 20 5 EIBDRO CC[C@]1(C)CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000464776956 1042158674 /nfs/dbraw/zinc/15/86/74/1042158674.db2.gz LMLPSCUXDOGOJG-LJQANCHMSA-N 1 0 343.427 4.304 20 5 EIBDRO CCC[C@@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000426000306 1042167990 /nfs/dbraw/zinc/16/79/90/1042167990.db2.gz HDQCSUIZXJBQFK-KRWDZBQOSA-N 1 0 342.443 4.012 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3cscn3)s2)cc1 ZINC000076331235 1042182757 /nfs/dbraw/zinc/18/27/57/1042182757.db2.gz NTBOQPQXGDTEKN-UHFFFAOYSA-N 1 0 345.449 4.112 20 5 EIBDRO C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000464858278 1042202322 /nfs/dbraw/zinc/20/23/22/1042202322.db2.gz OMBFQHGFHCWWLV-GOEBONIOSA-N 1 0 330.384 4.040 20 5 EIBDRO C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000464859005 1042202615 /nfs/dbraw/zinc/20/26/15/1042202615.db2.gz PPFNLQCISKCAQE-YOEHRIQHSA-N 1 0 330.384 4.040 20 5 EIBDRO C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000464859004 1042202893 /nfs/dbraw/zinc/20/28/93/1042202893.db2.gz PPFNLQCISKCAQE-WMLDXEAASA-N 1 0 330.384 4.040 20 5 EIBDRO CC(C)c1ccc(C[NH2+]C[C@@H](C)Oc2ccccc2)cc1[N+](=O)[O-] ZINC000506277161 1042238812 /nfs/dbraw/zinc/23/88/12/1042238812.db2.gz KHZUITIMHJQHPQ-OAHLLOKOSA-N 1 0 328.412 4.275 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCSCC3)o2)c(Cl)c1 ZINC000506326131 1042315335 /nfs/dbraw/zinc/31/53/35/1042315335.db2.gz NYYZSIRQBZDPEQ-UHFFFAOYSA-N 1 0 338.816 4.057 20 5 EIBDRO CC[C@H](C)N(C)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000518280235 1042450685 /nfs/dbraw/zinc/45/06/85/1042450685.db2.gz WKEAJDFFXNNRAW-AWEZNQCLSA-N 1 0 347.484 4.143 20 5 EIBDRO CCOc1ccccc1C[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000153126969 1042529071 /nfs/dbraw/zinc/52/90/71/1042529071.db2.gz OQYOLPCWJZDBSK-CQSZACIVSA-N 1 0 344.411 4.243 20 5 EIBDRO CCC[C@H]([NH2+]CCc1nnc(C(C)C)s1)c1cccc([N+](=O)[O-])c1 ZINC000426300267 1042537442 /nfs/dbraw/zinc/53/74/42/1042537442.db2.gz DHQHTDYVFYHMHL-HNNXBMFYSA-N 1 0 348.472 4.243 20 5 EIBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc(F)ccc1F ZINC000518607750 1042586239 /nfs/dbraw/zinc/58/62/39/1042586239.db2.gz MWZINODBFWKFMW-NSHDSACASA-N 1 0 345.349 4.248 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H](C)[C@H]2OCCc3sccc32)cccc1[N+](=O)[O-] ZINC000426355197 1042590430 /nfs/dbraw/zinc/59/04/30/1042590430.db2.gz YOOSHYSHFIBKQR-VEVIJQCQSA-N 1 0 346.452 4.318 20 5 EIBDRO CCOc1cc(CN([C@H](C)c2ccco2)C2CC2)ccc1[N+](=O)[O-] ZINC000492540400 1042692135 /nfs/dbraw/zinc/69/21/35/1042692135.db2.gz UQDSUTDJCUIUPO-CYBMUJFWSA-N 1 0 330.384 4.312 20 5 EIBDRO CC(C)C[C@@H](CNc1ncccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000518927283 1042759947 /nfs/dbraw/zinc/75/99/47/1042759947.db2.gz DORPAKIEZNGYHK-RDJZCZTQSA-N 1 0 342.443 4.167 20 5 EIBDRO CC(C)C[C@@H](CNc1ncccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000518927284 1042759991 /nfs/dbraw/zinc/75/99/91/1042759991.db2.gz DORPAKIEZNGYHK-WBVHZDCISA-N 1 0 342.443 4.167 20 5 EIBDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493076389 1042811193 /nfs/dbraw/zinc/81/11/93/1042811193.db2.gz HEVXSNYXXZRPEY-CYBMUJFWSA-N 1 0 346.814 4.246 20 5 EIBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC001234249864 1042866251 /nfs/dbraw/zinc/86/62/51/1042866251.db2.gz LGWVHIABDFAFQK-SECBINFHSA-N 1 0 330.292 4.198 20 5 EIBDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761512408 1042873593 /nfs/dbraw/zinc/87/35/93/1042873593.db2.gz SVERNGPGJCMVSV-LBPRGKRZSA-N 1 0 334.803 4.017 20 5 EIBDRO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761515236 1042874262 /nfs/dbraw/zinc/87/42/62/1042874262.db2.gz RXTXNCVXAJUXPF-MRXNPFEDSA-N 1 0 348.830 4.021 20 5 EIBDRO CC(C)(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761527383 1042875969 /nfs/dbraw/zinc/87/59/69/1042875969.db2.gz UTGQFUXEXCLFKG-CJNGLKHVSA-N 1 0 340.851 4.179 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000441534241 1042878683 /nfs/dbraw/zinc/87/86/83/1042878683.db2.gz KBKTWYAZQKWNGV-ROUUACIJSA-N 1 0 345.487 4.100 20 5 EIBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000184704396 1042884212 /nfs/dbraw/zinc/88/42/12/1042884212.db2.gz JFMRTVBWARUUFB-CJNGLKHVSA-N 1 0 344.415 4.093 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000129581060 1042934679 /nfs/dbraw/zinc/93/46/79/1042934679.db2.gz UEYDFSQVQBXWJV-DAYGRLMNSA-N 1 0 325.412 4.052 20 5 EIBDRO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000441652668 1042957674 /nfs/dbraw/zinc/95/76/74/1042957674.db2.gz BGQISMBDVWYRQW-OAHLLOKOSA-N 1 0 344.415 4.045 20 5 EIBDRO C[N@H+](Cc1cccc2[nH]ccc21)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494000569 1043001415 /nfs/dbraw/zinc/00/14/15/1043001415.db2.gz SJIKJAQDOMTBKU-UHFFFAOYSA-N 1 0 329.787 4.362 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000494036560 1043006317 /nfs/dbraw/zinc/00/63/17/1043006317.db2.gz FXHHORSTYYJETJ-UHFFFAOYSA-N 1 0 339.395 4.107 20 5 EIBDRO COc1ccccc1O[C@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000129595286 1043032542 /nfs/dbraw/zinc/03/25/42/1043032542.db2.gz GQNHCTSNLBMNIO-UKRRQHHQSA-N 1 0 344.411 4.030 20 5 EIBDRO COc1ccccc1O[C@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000129595501 1043033012 /nfs/dbraw/zinc/03/30/12/1043033012.db2.gz GQNHCTSNLBMNIO-HIFRSBDPSA-N 1 0 344.411 4.030 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000427984737 1043289204 /nfs/dbraw/zinc/28/92/04/1043289204.db2.gz YPFIQJYFRPHJDL-ZIAGYGMSSA-N 1 0 338.473 4.013 20 5 EIBDRO Cc1noc(C)c1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000171051186 1043414193 /nfs/dbraw/zinc/41/41/93/1043414193.db2.gz ARLODQXZSOKROW-UHFFFAOYSA-N 1 0 343.408 4.218 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000609194687 1043448388 /nfs/dbraw/zinc/44/83/88/1043448388.db2.gz DYMQNQJTSDUZAW-UHFFFAOYSA-N 1 0 332.350 4.253 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1OC ZINC000494490525 1043517676 /nfs/dbraw/zinc/51/76/76/1043517676.db2.gz YHAINJVYSWHBHO-IIAWOOMASA-N 1 0 338.473 4.013 20 5 EIBDRO O=[N+]([O-])c1ccc(Nc2cccc(C[NH+]3CCSCC3)c2)c(F)c1 ZINC000078495522 1043651263 /nfs/dbraw/zinc/65/12/63/1043651263.db2.gz UIMZTQXIVAEWPS-UHFFFAOYSA-N 1 0 347.415 4.026 20 5 EIBDRO Cc1c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000438993677 1043741345 /nfs/dbraw/zinc/74/13/45/1043741345.db2.gz ACUJEQHOLGEVQH-OBZTVWKBSA-N 1 0 346.471 4.055 20 5 EIBDRO COc1ccc([C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C2CCC2)cc1 ZINC000922893252 1043825752 /nfs/dbraw/zinc/82/57/52/1043825752.db2.gz UZADGNLZIITWOG-KRWDZBQOSA-N 1 0 332.425 4.296 20 5 EIBDRO COCC(C)(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000066995955 1043842085 /nfs/dbraw/zinc/84/20/85/1043842085.db2.gz PHTAWZJRXPTGFR-UHFFFAOYSA-N 1 0 338.791 4.023 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C2CCC(C(F)F)CC2)cc1 ZINC000442875738 1043873926 /nfs/dbraw/zinc/87/39/26/1043873926.db2.gz UIVODGXNQXRBTF-UHFFFAOYSA-N 1 0 326.387 4.331 20 5 EIBDRO C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000173376040 1043930282 /nfs/dbraw/zinc/93/02/82/1043930282.db2.gz NTOLBAHXZDOPRI-ZDUSSCGKSA-N 1 0 345.468 4.214 20 5 EIBDRO C[C@H]([NH2+]CCc1nc(C(C)(C)C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000173394284 1043942937 /nfs/dbraw/zinc/94/29/37/1043942937.db2.gz WZMYHYQHELTLNK-LBPRGKRZSA-N 1 0 333.457 4.242 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000245536682 1043969697 /nfs/dbraw/zinc/96/96/97/1043969697.db2.gz XRCMJIABLYPHHC-UONOGXRCSA-N 1 0 331.441 4.300 20 5 EIBDRO CO[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@@H](C)C1 ZINC000443063644 1043985185 /nfs/dbraw/zinc/98/51/85/1043985185.db2.gz DLCYPOCNFNAOAV-BBRMVZONSA-N 1 0 346.452 4.323 20 5 EIBDRO CC[N@H+](Cc1cccc(Br)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000521858818 1044033915 /nfs/dbraw/zinc/03/39/15/1044033915.db2.gz RDQBPXDWVJCZTH-UHFFFAOYSA-N 1 0 349.228 4.379 20 5 EIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000732988599 1044063912 /nfs/dbraw/zinc/06/39/12/1044063912.db2.gz JJNOEBAHTWWQJB-SFHVURJKSA-N 1 0 348.349 4.089 20 5 EIBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000301920258 1044212830 /nfs/dbraw/zinc/21/28/30/1044212830.db2.gz XDESELQKHAOMBB-DZGCQCFKSA-N 1 0 335.448 4.057 20 5 EIBDRO CC(C)(C)[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000543247893 1044236802 /nfs/dbraw/zinc/23/68/02/1044236802.db2.gz ZBBBNNHVMVEGEX-AWEZNQCLSA-N 1 0 329.400 4.118 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000466349064 1044305302 /nfs/dbraw/zinc/30/53/02/1044305302.db2.gz YVRUFQINQJEFMS-DZOHQFGASA-N 1 0 332.444 4.149 20 5 EIBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000042295640 1044310493 /nfs/dbraw/zinc/31/04/93/1044310493.db2.gz RBSWUZUDJIJNOW-LLVKDONJSA-N 1 0 335.201 4.208 20 5 EIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000246485224 1044318030 /nfs/dbraw/zinc/31/80/30/1044318030.db2.gz AHOHHBNAHXWVSK-RDBSUJKOSA-N 1 0 344.415 4.074 20 5 EIBDRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000474064085 1044332831 /nfs/dbraw/zinc/33/28/31/1044332831.db2.gz IZOKNSCTGBYKCE-KRWDZBQOSA-N 1 0 326.396 4.116 20 5 EIBDRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000474075022 1044358127 /nfs/dbraw/zinc/35/81/27/1044358127.db2.gz UHSLMGIMNVSSOM-GOSISDBHSA-N 1 0 326.396 4.116 20 5 EIBDRO Cc1ccc(CNc2ccc(Cl)c(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000466416932 1044422558 /nfs/dbraw/zinc/42/25/58/1044422558.db2.gz MVRMEMUJDYJFQE-UHFFFAOYSA-N 1 0 333.819 4.230 20 5 EIBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000470442837 1044438548 /nfs/dbraw/zinc/43/85/48/1044438548.db2.gz WYTKAVLUHVDREQ-DAYGRLMNSA-N 1 0 334.460 4.395 20 5 EIBDRO CCCC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCC1 ZINC000542522307 1044490864 /nfs/dbraw/zinc/49/08/64/1044490864.db2.gz TVYQOUFSAYTTOY-YOEHRIQHSA-N 1 0 347.459 4.179 20 5 EIBDRO CCc1ccc([C@@H]([NH2+]CCc2ccco2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543410518 1044544958 /nfs/dbraw/zinc/54/49/58/1044544958.db2.gz ZBGDPRFUNJKYGB-IBGZPJMESA-N 1 0 340.379 4.265 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccc(F)c(F)c1F ZINC000543427971 1044586913 /nfs/dbraw/zinc/58/69/13/1044586913.db2.gz XMLSTNOMHDBYBS-NSHDSACASA-N 1 0 338.329 4.214 20 5 EIBDRO C[C@@H]1CC[C@H]([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000248552210 1044626096 /nfs/dbraw/zinc/62/60/96/1044626096.db2.gz IZUZTSBTVYUSMW-KEYYUXOJSA-N 1 0 343.427 4.207 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3cccc(Br)c3)CC2)cc1 ZINC000123745645 1044768497 /nfs/dbraw/zinc/76/84/97/1044768497.db2.gz VJISFCBRFDMFSP-UHFFFAOYSA-N 1 0 347.212 4.136 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000487861997 1044794928 /nfs/dbraw/zinc/79/49/28/1044794928.db2.gz SCWSYQXPIXIZPU-GFCCVEGCSA-N 1 0 336.338 4.389 20 5 EIBDRO C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000327258669 1044797943 /nfs/dbraw/zinc/79/79/43/1044797943.db2.gz CSUONEMHLXJKOR-JXFKEZNVSA-N 1 0 339.439 4.083 20 5 EIBDRO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000093364957 1044833784 /nfs/dbraw/zinc/83/37/84/1044833784.db2.gz DAOLXNFVEUBPGC-HNNXBMFYSA-N 1 0 331.441 4.178 20 5 EIBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)COCc1ccccc1 ZINC000389938913 1044846673 /nfs/dbraw/zinc/84/66/73/1044846673.db2.gz OYBASLFJLSOMEB-CVEARBPZSA-N 1 0 328.412 4.098 20 5 EIBDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000736624122 1044956909 /nfs/dbraw/zinc/95/69/09/1044956909.db2.gz XTLGVGVWVDGUPL-GFCCVEGCSA-N 1 0 336.794 4.450 20 5 EIBDRO CC[C@H]([NH2+][C@H](CCOC)c1ccc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000272258134 1044992306 /nfs/dbraw/zinc/99/23/06/1044992306.db2.gz AIXSRNOIUHTEKM-DLBZAZTESA-N 1 0 332.400 4.315 20 5 EIBDRO CC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cn1 ZINC000495433662 1045093184 /nfs/dbraw/zinc/09/31/84/1045093184.db2.gz PEJJUWFOTCPPSN-AWEZNQCLSA-N 1 0 337.782 4.066 20 5 EIBDRO COc1ccc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)cc1F ZINC000302167820 1045165561 /nfs/dbraw/zinc/16/55/61/1045165561.db2.gz LJQDQZYTROAOCR-UHFFFAOYSA-N 1 0 341.342 4.211 20 5 EIBDRO Cc1ccc2c(CC[NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])c[nH]c2c1 ZINC000740003882 1045173683 /nfs/dbraw/zinc/17/36/83/1045173683.db2.gz AEFZVAHFBFTYKK-UHFFFAOYSA-N 1 0 343.814 4.370 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3C4CCCC3CCC4)co2)cc1 ZINC000611171021 1045257615 /nfs/dbraw/zinc/25/76/15/1045257615.db2.gz HTBAEEBOPJGVAS-UHFFFAOYSA-N 1 0 327.384 4.157 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)c1ccncc1 ZINC000611248614 1045267208 /nfs/dbraw/zinc/26/72/08/1045267208.db2.gz KUVPOKDGVKONIB-HOCLYGCPSA-N 1 0 345.468 4.254 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000611268261 1045271086 /nfs/dbraw/zinc/27/10/86/1045271086.db2.gz DXBPAWNVBIKVBN-HSSRVXSRSA-N 1 0 338.407 4.072 20 5 EIBDRO CC1(C)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCO1 ZINC000611272431 1045272290 /nfs/dbraw/zinc/27/22/90/1045272290.db2.gz MGVCYXOZRWHSMK-UHFFFAOYSA-N 1 0 346.452 4.324 20 5 EIBDRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000611299885 1045278278 /nfs/dbraw/zinc/27/82/78/1045278278.db2.gz MSRZJMWUUZABDD-TXPKVOOTSA-N 1 0 339.439 4.360 20 5 EIBDRO CC[C@H]([NH2+]CCCc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000611335574 1045281685 /nfs/dbraw/zinc/28/16/85/1045281685.db2.gz OBFQIDMATQTAGC-IBGZPJMESA-N 1 0 328.412 4.277 20 5 EIBDRO CCC[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000611335779 1045282124 /nfs/dbraw/zinc/28/21/24/1045282124.db2.gz JCHOKJFTKHBXMI-PMACEKPBSA-N 1 0 340.423 4.340 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000611466087 1045312357 /nfs/dbraw/zinc/31/23/57/1045312357.db2.gz XGCADGLCIQNYGD-IUODEOHRSA-N 1 0 334.803 4.342 20 5 EIBDRO C[C@@H](C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000611519894 1045319216 /nfs/dbraw/zinc/31/92/16/1045319216.db2.gz XRHOSIDJZAKAKU-KKSFZXQISA-N 1 0 347.418 4.473 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2CCC(F)(F)C2)c2ccccc2)c1 ZINC000611521622 1045319748 /nfs/dbraw/zinc/31/97/48/1045319748.db2.gz JTQZXFLEJLCMRB-NVXWUHKLSA-N 1 0 332.350 4.462 20 5 EIBDRO COCC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000272544480 1045508940 /nfs/dbraw/zinc/50/89/40/1045508940.db2.gz CKFRGZFIHQVYSY-GDBMZVCRSA-N 1 0 332.400 4.233 20 5 EIBDRO COCc1cc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccc1OC ZINC000193902360 1045539486 /nfs/dbraw/zinc/53/94/86/1045539486.db2.gz AMGQNHSCFJOKEM-ZIAGYGMSSA-N 1 0 344.411 4.162 20 5 EIBDRO Cc1c(C[NH2+][C@H]2CCOc3c(Cl)cccc32)cccc1[N+](=O)[O-] ZINC000790696019 1045560295 /nfs/dbraw/zinc/56/02/95/1045560295.db2.gz OSEXARBVBJEDLS-HNNXBMFYSA-N 1 0 332.787 4.170 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609233597 1045696981 /nfs/dbraw/zinc/69/69/81/1045696981.db2.gz GSPJKJVQTHZASV-BEFAXECRSA-N 1 0 326.396 4.119 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609233602 1045697472 /nfs/dbraw/zinc/69/74/72/1045697472.db2.gz GSPJKJVQTHZASV-KXBFYZLASA-N 1 0 326.396 4.119 20 5 EIBDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000152455645 1045731997 /nfs/dbraw/zinc/73/19/97/1045731997.db2.gz CAGQIOCNIGQFCH-HNNXBMFYSA-N 1 0 331.441 4.123 20 5 EIBDRO O=[N+]([O-])c1cc(C[N@H+](C2CC2)C2CCCC2)ccc1Br ZINC000768252350 1045762145 /nfs/dbraw/zinc/76/21/45/1045762145.db2.gz KITJDFPYQHUHMS-UHFFFAOYSA-N 1 0 339.233 4.264 20 5 EIBDRO COCCCC[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000791613709 1045775472 /nfs/dbraw/zinc/77/54/72/1045775472.db2.gz ZKOJFMJJGWDCLI-GOSISDBHSA-N 1 0 346.402 4.382 20 5 EIBDRO Cc1c(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000326381808 1045801345 /nfs/dbraw/zinc/80/13/45/1045801345.db2.gz MDQKJEHTPZAMFU-UHFFFAOYSA-N 1 0 342.292 4.351 20 5 EIBDRO C[C@@H](C1CC1)[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000768532821 1045817153 /nfs/dbraw/zinc/81/71/53/1045817153.db2.gz ODVZAWFEVOHNSC-JTQLQIEISA-N 1 0 339.233 4.120 20 5 EIBDRO O=C1CCCN1[C@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000792187493 1045876927 /nfs/dbraw/zinc/87/69/27/1045876927.db2.gz SBBALSBYABIGHH-IBGZPJMESA-N 1 0 344.458 4.190 20 5 EIBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CC(C)C)[C@@H](C)c1ccccc1C ZINC001170244611 1045949713 /nfs/dbraw/zinc/94/97/13/1045949713.db2.gz NQTMHKZRJDQXLR-INIZCTEOSA-N 1 0 344.459 4.127 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1F ZINC001170304715 1045984740 /nfs/dbraw/zinc/98/47/40/1045984740.db2.gz GDOWXNZLFJYNHJ-UGSOOPFHSA-N 1 0 346.402 4.414 20 5 EIBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170327160 1045999229 /nfs/dbraw/zinc/99/92/29/1045999229.db2.gz FFELGILYTVCCJR-YJBOKZPZSA-N 1 0 340.423 4.024 20 5 EIBDRO COCCOC[C@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000769509350 1046004709 /nfs/dbraw/zinc/00/47/09/1046004709.db2.gz WTXBLGXLSNTQDD-SFHVURJKSA-N 1 0 349.474 4.478 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]CCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC001170309683 1046008141 /nfs/dbraw/zinc/00/81/41/1046008141.db2.gz RKDCYTCEXVRGHZ-ZDUSSCGKSA-N 1 0 348.830 4.020 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2c(C)cc(F)cc2C)c([N+](=O)[O-])c1 ZINC001170308746 1046008424 /nfs/dbraw/zinc/00/84/24/1046008424.db2.gz OIJCBMGIHIBVIA-CQSZACIVSA-N 1 0 346.402 4.080 20 5 EIBDRO COc1ccc(C[C@H](C)[N@H+](C)Cc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC001170343517 1046021404 /nfs/dbraw/zinc/02/14/04/1046021404.db2.gz PVEWFDLLUJNELD-ZDUSSCGKSA-N 1 0 348.830 4.320 20 5 EIBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC001170347168 1046023738 /nfs/dbraw/zinc/02/37/38/1046023738.db2.gz QYRVBLAPXDIHTG-XJKSGUPXSA-N 1 0 346.452 4.433 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000792874627 1046088758 /nfs/dbraw/zinc/08/87/58/1046088758.db2.gz FTJCXDZWQCJVSZ-INIZCTEOSA-N 1 0 329.356 4.052 20 5 EIBDRO COCc1cccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001170423500 1046115774 /nfs/dbraw/zinc/11/57/74/1046115774.db2.gz GXCZIBMAYKBLLK-LJQANCHMSA-N 1 0 340.423 4.121 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](c2ccccc2C)C2CC2)cc1[N+](=O)[O-] ZINC001168518637 1046310583 /nfs/dbraw/zinc/31/05/83/1046310583.db2.gz FMHQXOMRTOHOKK-LJQANCHMSA-N 1 0 326.396 4.153 20 5 EIBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000771579333 1046448584 /nfs/dbraw/zinc/44/85/84/1046448584.db2.gz MZOFLPNHVPQJHB-SFHVURJKSA-N 1 0 348.830 4.192 20 5 EIBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)CC1(O)CCCC1 ZINC000536667719 1046620211 /nfs/dbraw/zinc/62/02/11/1046620211.db2.gz NRVSAUCVDWRDKB-UHFFFAOYSA-N 1 0 346.452 4.060 20 5 EIBDRO Cc1ccc(CN2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000536661134 1046626260 /nfs/dbraw/zinc/62/62/60/1046626260.db2.gz JQSCYLJETKWLMI-LIRRHRJNSA-N 1 0 344.386 4.004 20 5 EIBDRO Cc1c(C[NH2+]CCc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000917134283 1046764058 /nfs/dbraw/zinc/76/40/58/1046764058.db2.gz QTODDDAGJSDWKW-UHFFFAOYSA-N 1 0 338.329 4.254 20 5 EIBDRO COc1cc(C)cc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000536839758 1046814126 /nfs/dbraw/zinc/81/41/26/1046814126.db2.gz QANUFXFSXSGGRM-IBGZPJMESA-N 1 0 340.423 4.023 20 5 EIBDRO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000536874621 1046837398 /nfs/dbraw/zinc/83/73/98/1046837398.db2.gz DEFHJUONVLJRFX-GFCCVEGCSA-N 1 0 334.803 4.498 20 5 EIBDRO Cc1nc2c(s1)[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000536875073 1046839567 /nfs/dbraw/zinc/83/95/67/1046839567.db2.gz HIOXPDGWWHOVHR-MRXNPFEDSA-N 1 0 345.468 4.350 20 5 EIBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746672704 1046985771 /nfs/dbraw/zinc/98/57/71/1046985771.db2.gz HFDJHDXENSISPR-KGLIPLIRSA-N 1 0 328.865 4.354 20 5 EIBDRO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000805835249 1047025074 /nfs/dbraw/zinc/02/50/74/1047025074.db2.gz LXKQMBOLCREOOX-INIZCTEOSA-N 1 0 332.375 4.326 20 5 EIBDRO CSC[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537319196 1047106304 /nfs/dbraw/zinc/10/63/04/1047106304.db2.gz VVYYFFYKIMAMQT-SNVBAGLBSA-N 1 0 340.832 4.349 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]CCNc2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000788583591 1047238025 /nfs/dbraw/zinc/23/80/25/1047238025.db2.gz AWAOOJFKPIYJRZ-GOSISDBHSA-N 1 0 325.412 4.019 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1(c2cccc(F)c2)CC1 ZINC000537452289 1047238076 /nfs/dbraw/zinc/23/80/76/1047238076.db2.gz RMTAKSKWTPSLMC-CQSZACIVSA-N 1 0 328.387 4.334 20 5 EIBDRO Cc1noc(C)c1CCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788585174 1047238040 /nfs/dbraw/zinc/23/80/40/1047238040.db2.gz ONBQBMIQTQBGDR-SFHVURJKSA-N 1 0 343.427 4.144 20 5 EIBDRO C[C@H]([NH2+]CC1(Sc2ccccc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788594649 1047242257 /nfs/dbraw/zinc/24/22/57/1047242257.db2.gz XCQZUUWKLDAVCA-ZDUSSCGKSA-N 1 0 343.452 4.153 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788643945 1047245381 /nfs/dbraw/zinc/24/53/81/1047245381.db2.gz QZGZLIVQFBTLHW-QFYYESIMSA-N 1 0 331.803 4.169 20 5 EIBDRO CC(C)c1ccccc1OCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788638945 1047257039 /nfs/dbraw/zinc/25/70/39/1047257039.db2.gz KKCPIVSDCFPMFM-CQSZACIVSA-N 1 0 343.427 4.030 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788801608 1047308401 /nfs/dbraw/zinc/30/84/01/1047308401.db2.gz BCOATWSWBLRHNT-XGWLTEMNSA-N 1 0 343.402 4.303 20 5 EIBDRO CSc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788814892 1047317217 /nfs/dbraw/zinc/31/72/17/1047317217.db2.gz NOUCEFHQTYLCPR-NWDGAFQWSA-N 1 0 331.441 4.311 20 5 EIBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](O)c1ccccc1 ZINC000789779466 1047474055 /nfs/dbraw/zinc/47/40/55/1047474055.db2.gz PZHRCFXPUOZYER-MSOLQXFVSA-N 1 0 348.830 4.096 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1ccc(-n2ccnc2)c(F)c1 ZINC000537533666 1047675051 /nfs/dbraw/zinc/67/50/51/1047675051.db2.gz MRHWKJPBOHAHSC-CYBMUJFWSA-N 1 0 340.358 4.401 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)cc1 ZINC000089513495 1047763348 /nfs/dbraw/zinc/76/33/48/1047763348.db2.gz NDRZLBCWXDZWCG-LJQANCHMSA-N 1 0 338.407 4.087 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H](C)c1nc2ccccc2s1 ZINC000089512108 1047773518 /nfs/dbraw/zinc/77/35/18/1047773518.db2.gz XIWGKOVVINFFRS-QWHCGFSZSA-N 1 0 341.436 4.486 20 5 EIBDRO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CCCO2 ZINC000089512089 1047774314 /nfs/dbraw/zinc/77/43/14/1047774314.db2.gz YMCDPOQTTQQTID-KRWDZBQOSA-N 1 0 326.396 4.215 20 5 EIBDRO C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)(F)F ZINC000089512409 1047784130 /nfs/dbraw/zinc/78/41/30/1047784130.db2.gz BUMMBGNQVVDTQH-LLVKDONJSA-N 1 0 340.301 4.344 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1Cc2ccccc2O[C@H](C)C1 ZINC001170733091 1047877533 /nfs/dbraw/zinc/87/75/33/1047877533.db2.gz PXJBBMIFBMHNIX-HUUCEWRRSA-N 1 0 326.396 4.247 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)c1 ZINC000808449569 1047914876 /nfs/dbraw/zinc/91/48/76/1047914876.db2.gz WEDOLLBMHODUDQ-LEWJYISDSA-N 1 0 348.402 4.159 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000824773349 1047929138 /nfs/dbraw/zinc/92/91/38/1047929138.db2.gz KEFKJKCLDWTTPN-SMDDNHRTSA-N 1 0 331.243 4.089 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](C)Sc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815585119 1048522036 /nfs/dbraw/zinc/52/20/36/1048522036.db2.gz YSVHFNNSLKCPEG-QWHCGFSZSA-N 1 0 331.441 4.008 20 5 EIBDRO C[C@H]([NH2+]Cc1cccc(-c2cccnc2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815617563 1048544952 /nfs/dbraw/zinc/54/49/52/1048544952.db2.gz PZFTWLKYIODUED-AWEZNQCLSA-N 1 0 348.406 4.090 20 5 EIBDRO CCSc1cccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815628727 1048553758 /nfs/dbraw/zinc/55/37/58/1048553758.db2.gz IHIJPEAFDLCZEQ-GFCCVEGCSA-N 1 0 331.441 4.140 20 5 EIBDRO C[C@H]([NH2+]C1(c2ccc(F)cc2)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815604644 1048558165 /nfs/dbraw/zinc/55/81/65/1048558165.db2.gz WFIFRVTYALIDCE-LBPRGKRZSA-N 1 0 329.375 4.046 20 5 EIBDRO C[C@H](CO)[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCCC1 ZINC000809984781 1048589738 /nfs/dbraw/zinc/58/97/38/1048589738.db2.gz ZFDQPUGMPSTFFR-SNVBAGLBSA-N 1 0 347.242 4.027 20 5 EIBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cc(F)cc(F)c3[N+](=O)[O-])c2c1 ZINC001171168158 1048615043 /nfs/dbraw/zinc/61/50/43/1048615043.db2.gz KKATVPBFBAORPA-LLVKDONJSA-N 1 0 345.349 4.015 20 5 EIBDRO c1nc2c([nH]1)C[C@H]([NH2+]Cc1c3ccccc3cc3ccccc31)CC2 ZINC000810171736 1048653072 /nfs/dbraw/zinc/65/30/72/1048653072.db2.gz RSPFSDWGLRYQBX-QGZVFWFLSA-N 1 0 327.431 4.363 20 5 EIBDRO Cc1cc(N2CCC[C@@]3(CC3(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000845740931 1048722725 /nfs/dbraw/zinc/72/27/25/1048722725.db2.gz CHGFPLQCRQGFPY-MRXNPFEDSA-N 1 0 333.338 4.077 20 5 EIBDRO COCC1(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCC1 ZINC000816638175 1048846968 /nfs/dbraw/zinc/84/69/68/1048846968.db2.gz CEYQNVAHYWUZIE-UHFFFAOYSA-N 1 0 347.242 4.198 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCO2 ZINC000772949344 1048886957 /nfs/dbraw/zinc/88/69/57/1048886957.db2.gz AIWBAUVYENCTBU-SFHVURJKSA-N 1 0 326.396 4.161 20 5 EIBDRO CC(C)[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccsc1 ZINC000817287204 1048927556 /nfs/dbraw/zinc/92/75/56/1048927556.db2.gz LFQJWKXIADKCJD-DYVFJYSZSA-N 1 0 334.441 4.161 20 5 EIBDRO CC(C)[N@H+](CCCOc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350278 1049051997 /nfs/dbraw/zinc/05/19/97/1049051997.db2.gz UNTISYDJWMPYCA-UHFFFAOYSA-N 1 0 328.412 4.274 20 5 EIBDRO CC(C)C[C@H](CCO)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811481989 1049077499 /nfs/dbraw/zinc/07/74/99/1049077499.db2.gz DADXSRZHQVKZNW-NSHDSACASA-N 1 0 349.258 4.036 20 5 EIBDRO CCC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOCC1 ZINC000811482782 1049078889 /nfs/dbraw/zinc/07/88/89/1049078889.db2.gz SCZSGRUSYWEMDM-UHFFFAOYSA-N 1 0 347.242 4.198 20 5 EIBDRO CO[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)(C)C ZINC000811482924 1049080448 /nfs/dbraw/zinc/08/04/48/1049080448.db2.gz XJHJJLVBJNZUCV-GFCCVEGCSA-N 1 0 335.231 4.052 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCNc1ccccc1 ZINC000811482719 1049080735 /nfs/dbraw/zinc/08/07/35/1049080735.db2.gz PZCMTKDHHCJBMR-UHFFFAOYSA-N 1 0 340.210 4.103 20 5 EIBDRO CCC1(O)CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000811487368 1049083162 /nfs/dbraw/zinc/08/31/62/1049083162.db2.gz VTJMIMMVHOAFPY-UHFFFAOYSA-N 1 0 347.242 4.075 20 5 EIBDRO C[C@H]1C[C@H](CC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000811488802 1049085152 /nfs/dbraw/zinc/08/51/52/1049085152.db2.gz LQGLUKMTYAYWQV-WDEREUQCSA-N 1 0 347.242 4.196 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCc1cccs1 ZINC000811471621 1049093555 /nfs/dbraw/zinc/09/35/55/1049093555.db2.gz HBHVUNCLXOCSCB-UHFFFAOYSA-N 1 0 331.224 4.295 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000806146430 1049106906 /nfs/dbraw/zinc/10/69/06/1049106906.db2.gz AQAVNAKVWGKNFV-FZMZJTMJSA-N 1 0 331.803 4.290 20 5 EIBDRO COc1cccc(C2(C[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)c1 ZINC000811509801 1049126931 /nfs/dbraw/zinc/12/69/31/1049126931.db2.gz FEGCZGOLWCDDNE-UHFFFAOYSA-N 1 0 346.814 4.078 20 5 EIBDRO CC(C)([NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)c1ccccc1[N+](=O)[O-] ZINC001170651150 1049338665 /nfs/dbraw/zinc/33/86/65/1049338665.db2.gz SYKKLWCYZIKKMG-RDJZCZTQSA-N 1 0 346.377 4.468 20 5 EIBDRO Cc1ccc(C)c(OC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000064632276 1049378174 /nfs/dbraw/zinc/37/81/74/1049378174.db2.gz LUMFCGWHQPOWON-UHFFFAOYSA-N 1 0 340.423 4.255 20 5 EIBDRO COc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000609916144 1049396513 /nfs/dbraw/zinc/39/65/13/1049396513.db2.gz AHUVLXNLCDYKHP-BBRMVZONSA-N 1 0 344.386 4.121 20 5 EIBDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000610001877 1049469337 /nfs/dbraw/zinc/46/93/37/1049469337.db2.gz JKFCKLTXDCFMEE-GJZGRUSLSA-N 1 0 328.387 4.420 20 5 EIBDRO CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000610137685 1049544664 /nfs/dbraw/zinc/54/46/64/1049544664.db2.gz YNTSWEQXZWSEAQ-LJQANCHMSA-N 1 0 346.427 4.132 20 5 EIBDRO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)[C@@H](O)c1ccccc1 ZINC000812849680 1049610687 /nfs/dbraw/zinc/61/06/87/1049610687.db2.gz RFAHPSYOPDTLGW-FZKQIMNGSA-N 1 0 348.830 4.192 20 5 EIBDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000036999561 1049654163 /nfs/dbraw/zinc/65/41/63/1049654163.db2.gz BKDCFDSYZWSUIS-GFCCVEGCSA-N 1 0 349.228 4.078 20 5 EIBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000037128958 1049661769 /nfs/dbraw/zinc/66/17/69/1049661769.db2.gz NRGQOFIQRAZXIM-UHFFFAOYSA-N 1 0 349.228 4.382 20 5 EIBDRO Cc1c(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC000616357143 1049882305 /nfs/dbraw/zinc/88/23/05/1049882305.db2.gz PKPLJUUUIBGIKA-QGZVFWFLSA-N 1 0 338.407 4.439 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccc(F)c1 ZINC001172902142 1050204545 /nfs/dbraw/zinc/20/45/45/1050204545.db2.gz VXJQZMMPTYMNMW-ACJLOTCBSA-N 1 0 328.387 4.332 20 5 EIBDRO [NH3+]CCc1ccc2c(ccn2[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172903965 1050205833 /nfs/dbraw/zinc/20/58/33/1050205833.db2.gz ULOFBCUULBVWAN-LJQANCHMSA-N 1 0 349.434 4.171 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCc3sccc31)CC2 ZINC001172908656 1050206989 /nfs/dbraw/zinc/20/69/89/1050206989.db2.gz YGYQTLWTJKBJNH-PBHICJAKSA-N 1 0 328.437 4.181 20 5 EIBDRO CC1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC(F)(F)CC1 ZINC001172905421 1050207461 /nfs/dbraw/zinc/20/74/61/1050207461.db2.gz RKOKPNYKTPUULG-HNNXBMFYSA-N 1 0 338.398 4.400 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@H]1c1nccs1)CC2 ZINC001172920988 1050233840 /nfs/dbraw/zinc/23/38/40/1050233840.db2.gz NFEHZQREECSRBT-WBVHZDCISA-N 1 0 343.452 4.136 20 5 EIBDRO C[N@H+](Cc1ccc(F)cc1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910384 1050245412 /nfs/dbraw/zinc/24/54/12/1050245412.db2.gz YNPAEADJMSQPFO-GOSISDBHSA-N 1 0 328.387 4.113 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@H]1c1ccccn1)CC2 ZINC001172912638 1050246326 /nfs/dbraw/zinc/24/63/26/1050246326.db2.gz BZOGHFRKZPCBKF-YLJYHZDGSA-N 1 0 337.423 4.074 20 5 EIBDRO C[N@H+](Cc1cccc(F)c1F)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912773 1050247536 /nfs/dbraw/zinc/24/75/36/1050247536.db2.gz MCFYVBBDDQVHIE-INIZCTEOSA-N 1 0 346.377 4.252 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000090844835 1050279130 /nfs/dbraw/zinc/27/91/30/1050279130.db2.gz OGFMDQILCKPSLN-ZQIUZPCESA-N 1 0 326.396 4.119 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001186285231 1050282180 /nfs/dbraw/zinc/28/21/80/1050282180.db2.gz OWCVXGOFGDKVLE-HNNXBMFYSA-N 1 0 337.851 4.457 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001177869979 1050307502 /nfs/dbraw/zinc/30/75/02/1050307502.db2.gz GEAOFSBBNFSFHL-YJBOKZPZSA-N 1 0 334.460 4.143 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cc(C)cc(C)c2)c1F ZINC001173177375 1050335763 /nfs/dbraw/zinc/33/57/63/1050335763.db2.gz TYEKUDNCSQDGTJ-AWEZNQCLSA-N 1 0 346.402 4.080 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cc(C)ccc2C)c1F ZINC001173177227 1050335990 /nfs/dbraw/zinc/33/59/90/1050335990.db2.gz RUUCBXKDSCVOJH-CQSZACIVSA-N 1 0 346.402 4.080 20 5 EIBDRO CCC1CCC([NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173179170 1050338326 /nfs/dbraw/zinc/33/83/26/1050338326.db2.gz NTKLCYPESFQTFF-IYXRBSQSSA-N 1 0 338.423 4.232 20 5 EIBDRO COc1ccc(C2([NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CCC2)cc1 ZINC001173220527 1050352308 /nfs/dbraw/zinc/35/23/08/1050352308.db2.gz FRWJEORKTJPYCO-HNNXBMFYSA-N 1 0 340.423 4.203 20 5 EIBDRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220341 1050353026 /nfs/dbraw/zinc/35/30/26/1050353026.db2.gz YMSUNOQPMHGWQJ-KBPBESRZSA-N 1 0 332.831 4.400 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1ccccc1F)C1CC1 ZINC001173219679 1050353437 /nfs/dbraw/zinc/35/34/37/1050353437.db2.gz PKKWFFHJNHHPFX-BFUOFWGJSA-N 1 0 328.387 4.406 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1ccccc1F)C1CC1 ZINC001173219829 1050353529 /nfs/dbraw/zinc/35/35/29/1050353529.db2.gz PKKWFFHJNHHPFX-ORAYPTAESA-N 1 0 328.387 4.406 20 5 EIBDRO COc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000112204079 1050353587 /nfs/dbraw/zinc/35/35/87/1050353587.db2.gz UAZIASMUZXFZMJ-UHFFFAOYSA-N 1 0 332.787 4.036 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC001173218613 1050353614 /nfs/dbraw/zinc/35/36/14/1050353614.db2.gz LCIXFCMOOVFPMA-INIZCTEOSA-N 1 0 347.418 4.378 20 5 EIBDRO COc1c(F)cccc1[C@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173223903 1050354517 /nfs/dbraw/zinc/35/45/17/1050354517.db2.gz BKAGKMCEODYSHC-STQMWFEESA-N 1 0 332.375 4.024 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC001173221085 1050355382 /nfs/dbraw/zinc/35/53/82/1050355382.db2.gz FLSAZJUNYUQBBS-OAHLLOKOSA-N 1 0 342.414 4.277 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC001173220876 1050355520 /nfs/dbraw/zinc/35/55/20/1050355520.db2.gz HNUJIVHOJOQRMB-AWEZNQCLSA-N 1 0 328.387 4.334 20 5 EIBDRO COc1ccccc1[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001173228752 1050356956 /nfs/dbraw/zinc/35/69/56/1050356956.db2.gz KHFCYBCUUWOBQB-VLIAUNLRSA-N 1 0 340.423 4.275 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001173227224 1050357424 /nfs/dbraw/zinc/35/74/24/1050357424.db2.gz ONRWLOUFZFGPOI-ZBFHGGJFSA-N 1 0 328.387 4.154 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001173224954 1050357569 /nfs/dbraw/zinc/35/75/69/1050357569.db2.gz AASMJKPGVIJDIZ-UZLBHIALSA-N 1 0 340.423 4.069 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2cccs2)CC1 ZINC001173226834 1050357909 /nfs/dbraw/zinc/35/79/09/1050357909.db2.gz LWCLOCRPCHFTBY-CQSZACIVSA-N 1 0 330.453 4.467 20 5 EIBDRO COc1cccc(CC(C)(C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173226545 1050358159 /nfs/dbraw/zinc/35/81/59/1050358159.db2.gz XOKJNOVEOHRMKJ-OAHLLOKOSA-N 1 0 342.439 4.145 20 5 EIBDRO COc1ccccc1C[C@@H](C)[N@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231866 1050358824 /nfs/dbraw/zinc/35/88/24/1050358824.db2.gz OEOCZKLIINSKNS-JKSUJKDBSA-N 1 0 342.439 4.097 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1cccc(Cl)c1 ZINC001173231981 1050359463 /nfs/dbraw/zinc/35/94/63/1050359463.db2.gz BUFFYSUMTHWSLS-CQSZACIVSA-N 1 0 332.831 4.402 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC001173232650 1050360204 /nfs/dbraw/zinc/36/02/04/1050360204.db2.gz FIGRRWIZDZRQAB-CYBMUJFWSA-N 1 0 330.815 4.458 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1cccc(Cl)c1 ZINC001173231980 1050360681 /nfs/dbraw/zinc/36/06/81/1050360681.db2.gz BUFFYSUMTHWSLS-AWEZNQCLSA-N 1 0 332.831 4.402 20 5 EIBDRO COc1ccc([C@H](C)[N@H+](C)[C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173234499 1050361792 /nfs/dbraw/zinc/36/17/92/1050361792.db2.gz RSPFFCBLXVFUCD-CABCVRRESA-N 1 0 328.412 4.227 20 5 EIBDRO Cc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173233704 1050362191 /nfs/dbraw/zinc/36/21/91/1050362191.db2.gz MFDZYYDBVZFRPO-KXBFYZLASA-N 1 0 325.412 4.066 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(CC[NH3+])c1cccc2ccccc21 ZINC001173212321 1050370926 /nfs/dbraw/zinc/37/09/26/1050370926.db2.gz ZFRNXRSUXHPQKW-MRXNPFEDSA-N 1 0 349.434 4.144 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1ccnc(Cl)c1)C1CC1 ZINC001173236278 1050372930 /nfs/dbraw/zinc/37/29/30/1050372930.db2.gz ZORHFOIUCIYWED-XIKOKIGWSA-N 1 0 345.830 4.315 20 5 EIBDRO CCC[N@H+](CC)C[C@@H](C)Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001186602823 1050375627 /nfs/dbraw/zinc/37/56/27/1050375627.db2.gz VZYHXPPWAVXHDK-SNVBAGLBSA-N 1 0 334.247 4.434 20 5 EIBDRO CC(C)C[N@H+](C)CCCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001186914619 1050446099 /nfs/dbraw/zinc/44/60/99/1050446099.db2.gz NSRQKNPSJKFQKX-UHFFFAOYSA-N 1 0 333.354 4.003 20 5 EIBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)c(C(F)F)c1 ZINC001187080852 1050478634 /nfs/dbraw/zinc/47/86/34/1050478634.db2.gz FJUCIBBXVVTVCY-LBPRGKRZSA-N 1 0 339.386 4.351 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001178519564 1050489860 /nfs/dbraw/zinc/48/98/60/1050489860.db2.gz YHMHHXMTPBAEMR-AEFFLSMTSA-N 1 0 340.423 4.104 20 5 EIBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1ccccc1F ZINC001173848262 1050584744 /nfs/dbraw/zinc/58/47/44/1050584744.db2.gz QIHCHIJFJVRLRX-UHFFFAOYSA-N 1 0 347.393 4.383 20 5 EIBDRO CC1([NH+]2CCC2)CCC(Nc2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC001187799647 1050623571 /nfs/dbraw/zinc/62/35/71/1050623571.db2.gz UPJJRQIEGILNMF-UHFFFAOYSA-N 1 0 339.386 4.351 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000619531732 1050806050 /nfs/dbraw/zinc/80/60/50/1050806050.db2.gz VXLPIJPADFNKIE-GOSISDBHSA-N 1 0 326.396 4.234 20 5 EIBDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001180183344 1050895279 /nfs/dbraw/zinc/89/52/79/1050895279.db2.gz BVQMWOYROOLHNU-OAHLLOKOSA-N 1 0 342.439 4.283 20 5 EIBDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC001180392495 1050978083 /nfs/dbraw/zinc/97/80/83/1050978083.db2.gz FPRADFOEGBMSFJ-NXEZZACHSA-N 1 0 347.278 4.429 20 5 EIBDRO Nc1ccc2cc3ccc(Nc4cnc(C5CC5)nc4)cc3[nH+]c2c1 ZINC001174618247 1051086049 /nfs/dbraw/zinc/08/60/49/1051086049.db2.gz UXSBMAGDHJUGFD-UHFFFAOYSA-N 1 0 327.391 4.381 20 5 EIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](Cc1ccccc1F)CC1CC1 ZINC001174680679 1051116636 /nfs/dbraw/zinc/11/66/36/1051116636.db2.gz MUEUPSJSKRERJX-UHFFFAOYSA-N 1 0 344.386 4.025 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001174742486 1051160518 /nfs/dbraw/zinc/16/05/18/1051160518.db2.gz MOWJOZBKUMIJGY-MAUKXSAKSA-N 1 0 326.396 4.118 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)cc1 ZINC001181235234 1051191245 /nfs/dbraw/zinc/19/12/45/1051191245.db2.gz SHUONPPMHFNIRJ-JCNLHEQBSA-N 1 0 330.815 4.327 20 5 EIBDRO Cc1cccc(C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC(C)C)c1 ZINC001190561531 1051216582 /nfs/dbraw/zinc/21/65/82/1051216582.db2.gz SLZRVLQKLJFKPB-UHFFFAOYSA-N 1 0 342.439 4.440 20 5 EIBDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000775407943 1051263483 /nfs/dbraw/zinc/26/34/83/1051263483.db2.gz RHCACWKFCFDBHI-PMACEKPBSA-N 1 0 342.439 4.314 20 5 EIBDRO CCC(CC)CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001174947343 1051268841 /nfs/dbraw/zinc/26/88/41/1051268841.db2.gz AUZVSLOLWDESLB-CQSZACIVSA-N 1 0 335.448 4.070 20 5 EIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+](Cc2ccc(F)cc2)CC2CC2)c1 ZINC001191030599 1051331069 /nfs/dbraw/zinc/33/10/69/1051331069.db2.gz QQSRPXMMNUQEME-UHFFFAOYSA-N 1 0 344.386 4.025 20 5 EIBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000775434640 1051347273 /nfs/dbraw/zinc/34/72/73/1051347273.db2.gz OZWFTIUARCGGIZ-QZTJIDSGSA-N 1 0 348.830 4.269 20 5 EIBDRO CC(C)[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000775434642 1051347727 /nfs/dbraw/zinc/34/77/27/1051347727.db2.gz OZWFTIUARCGGIZ-ROUUACIJSA-N 1 0 348.830 4.269 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC001191156996 1051367650 /nfs/dbraw/zinc/36/76/50/1051367650.db2.gz PQSFKFDYWGRJAV-CVEARBPZSA-N 1 0 340.423 4.290 20 5 EIBDRO COc1ccc([C@@H](C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC001191683118 1051520652 /nfs/dbraw/zinc/52/06/52/1051520652.db2.gz UWCJBXJWNCNSMU-HNNXBMFYSA-N 1 0 340.423 4.372 20 5 EIBDRO CCc1ccc([C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000774411661 1051583785 /nfs/dbraw/zinc/58/37/85/1051583785.db2.gz QOVQMMMSAHVBSF-VQTJNVASSA-N 1 0 342.439 4.178 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCCc1ccco1 ZINC001183075717 1051774340 /nfs/dbraw/zinc/77/43/40/1051774340.db2.gz YJKNDEXMCLXUDG-CRAIPNDOSA-N 1 0 328.412 4.121 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2ccc(F)cc2F)C2CC2)cc1 ZINC001192614961 1051778077 /nfs/dbraw/zinc/77/80/77/1051778077.db2.gz DZSJSIGJHHZTEX-GOSISDBHSA-N 1 0 332.350 4.156 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccc(N2CCCC2)c1 ZINC001192626994 1051783032 /nfs/dbraw/zinc/78/30/32/1051783032.db2.gz RFKNCXOZXQCUHM-CQSZACIVSA-N 1 0 343.402 4.185 20 5 EIBDRO C[NH+](C)[C@H]1CCOc2c(Nc3ccc(/C=C/[N+](=O)[O-])cc3)cccc21 ZINC001175905653 1051839851 /nfs/dbraw/zinc/83/98/51/1051839851.db2.gz BEXCTNHMIBEORD-KSEUIEODSA-N 1 0 339.395 4.063 20 5 EIBDRO CC(C)(C)C[NH+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC001192976702 1051850752 /nfs/dbraw/zinc/85/07/52/1051850752.db2.gz RUJPYZFRJFCDMO-UHFFFAOYSA-N 1 0 349.475 4.318 20 5 EIBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC001183532145 1051864547 /nfs/dbraw/zinc/86/45/47/1051864547.db2.gz ASCSQRVMRWVAPZ-UONOGXRCSA-N 1 0 339.233 4.026 20 5 EIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CCC(C)(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC001193658904 1051969883 /nfs/dbraw/zinc/96/98/83/1051969883.db2.gz AKFBQUXXIOHWHH-SNPRPXQTSA-N 1 0 347.459 4.035 20 5 EIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(OC(C)(C)C)c1 ZINC001193743579 1051980642 /nfs/dbraw/zinc/98/06/42/1051980642.db2.gz QQZCZSZNEVZXEU-UHFFFAOYSA-N 1 0 342.439 4.447 20 5 EIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)cs1 ZINC000184466763 1051992623 /nfs/dbraw/zinc/99/26/23/1051992623.db2.gz FHKWPDYCTYSENA-LBPRGKRZSA-N 1 0 333.457 4.242 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC001193931170 1052023735 /nfs/dbraw/zinc/02/37/35/1052023735.db2.gz MLNOFISNVQCLSF-NVXWUHKLSA-N 1 0 340.423 4.290 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1[C@H](C)c1ccccc1 ZINC001176366156 1052043042 /nfs/dbraw/zinc/04/30/42/1052043042.db2.gz XYWLHSQOKKSYBX-BEFAXECRSA-N 1 0 340.423 4.372 20 5 EIBDRO Nc1ccc2cc3ccc(Nc4ccc5c(c4)CC(=O)N5)cc3[nH+]c2c1 ZINC001176431067 1052053987 /nfs/dbraw/zinc/05/39/87/1052053987.db2.gz ZOOBKQOLYIAUJS-UHFFFAOYSA-N 1 0 340.386 4.208 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+](CCc1ccccc1)C1CC1 ZINC001176412112 1052063992 /nfs/dbraw/zinc/06/39/92/1052063992.db2.gz NIZWZEHXSOIPJY-UHFFFAOYSA-N 1 0 330.815 4.455 20 5 EIBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C12CCCC2 ZINC001194177908 1052096180 /nfs/dbraw/zinc/09/61/80/1052096180.db2.gz ZYUFQGMPOIUVHN-HZPDHXFCSA-N 1 0 338.835 4.076 20 5 EIBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C12CCCC2 ZINC001194177905 1052096517 /nfs/dbraw/zinc/09/65/17/1052096517.db2.gz ZYUFQGMPOIUVHN-CVEARBPZSA-N 1 0 338.835 4.076 20 5 EIBDRO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001194194373 1052102540 /nfs/dbraw/zinc/10/25/40/1052102540.db2.gz ZQGYFMPEOIXDPX-HZPDHXFCSA-N 1 0 340.851 4.322 20 5 EIBDRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774832647 1052181392 /nfs/dbraw/zinc/18/13/92/1052181392.db2.gz KKYBUPNHDOQVDZ-QGZVFWFLSA-N 1 0 341.367 4.149 20 5 EIBDRO Cc1cc(NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC001185585413 1052267201 /nfs/dbraw/zinc/26/72/01/1052267201.db2.gz ZRNXEXXUHILJRN-KRWDZBQOSA-N 1 0 333.819 4.271 20 5 EIBDRO CCCC[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC1 ZINC000184888935 1052291257 /nfs/dbraw/zinc/29/12/57/1052291257.db2.gz QNBPDGJNPUJXMF-INIZCTEOSA-N 1 0 344.415 4.093 20 5 EIBDRO CC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC001168529613 1052786069 /nfs/dbraw/zinc/78/60/69/1052786069.db2.gz LUEQDFPPNYVZSX-IBGZPJMESA-N 1 0 342.439 4.320 20 5 EIBDRO CCCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001194674131 1053069346 /nfs/dbraw/zinc/06/93/46/1053069346.db2.gz BVTVGKXNCBTSLA-UHFFFAOYSA-N 1 0 347.459 4.358 20 5 EIBDRO CO[C@@H](C[NH2+]Cc1c2ccccc2cc2ccccc21)[C@H]1CCOC1 ZINC000850344541 1053123279 /nfs/dbraw/zinc/12/32/79/1053123279.db2.gz MDQJMMJQZKTBNH-AVRDEDQJSA-N 1 0 335.447 4.134 20 5 EIBDRO CC(C)CC1(C)CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001194864096 1053129921 /nfs/dbraw/zinc/12/99/21/1053129921.db2.gz KAISMOKFBGYHQF-HNNXBMFYSA-N 1 0 347.459 4.070 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)c1cccc([N+](=O)[O-])c1 ZINC000850428534 1053207548 /nfs/dbraw/zinc/20/75/48/1053207548.db2.gz PONKBNUTTBULMF-KBPBESRZSA-N 1 0 326.396 4.332 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H](O)c3ccccc31)CCCC2 ZINC000850525208 1053285395 /nfs/dbraw/zinc/28/53/95/1053285395.db2.gz HGANWOWERLVDKL-AQNXPRMDSA-N 1 0 338.407 4.130 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000120151400 1053326862 /nfs/dbraw/zinc/32/68/62/1053326862.db2.gz OXWMQCTUNUZJIA-MLGOLLRUSA-N 1 0 342.420 4.194 20 5 EIBDRO CC(C)OCCC[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000552070848 1053385348 /nfs/dbraw/zinc/38/53/48/1053385348.db2.gz GKJBLDSRCLGSPZ-UHFFFAOYSA-N 1 0 332.400 4.102 20 5 EIBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCc2ccc(F)cc21 ZINC001195704659 1053464507 /nfs/dbraw/zinc/46/45/07/1053464507.db2.gz OWKSNHUGSHOAEF-GFCCVEGCSA-N 1 0 332.350 4.035 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000794834963 1053475862 /nfs/dbraw/zinc/47/58/62/1053475862.db2.gz YHSZKNITEYPVGM-CCKFTAQKSA-N 1 0 328.412 4.148 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000794834965 1053476544 /nfs/dbraw/zinc/47/65/44/1053476544.db2.gz YHSZKNITEYPVGM-MDASCCDHSA-N 1 0 328.412 4.148 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@H](O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000765273573 1053486142 /nfs/dbraw/zinc/48/61/42/1053486142.db2.gz WZZGDHGGCZEXIE-MOPGFXCFSA-N 1 0 328.412 4.068 20 5 EIBDRO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866345858 1053697171 /nfs/dbraw/zinc/69/71/71/1053697171.db2.gz GCZHCCWKBQDXGN-GHMZBOCLSA-N 1 0 336.329 4.376 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000121022677 1053698313 /nfs/dbraw/zinc/69/83/13/1053698313.db2.gz QZXSOSJPUBHZKJ-TYILLQQXSA-N 1 0 346.402 4.205 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1OC ZINC000866365812 1053705940 /nfs/dbraw/zinc/70/59/40/1053705940.db2.gz YJFGADDHCNANQM-SUMWQHHRSA-N 1 0 344.411 4.414 20 5 EIBDRO Cc1cccc([C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C(C)C)c1 ZINC001196781830 1053769283 /nfs/dbraw/zinc/76/92/83/1053769283.db2.gz JKCJHDQJESLXQB-LJQANCHMSA-N 1 0 328.412 4.269 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2cc3cnccc3o2)cccc1[N+](=O)[O-] ZINC000866619461 1053808478 /nfs/dbraw/zinc/80/84/78/1053808478.db2.gz GIGMKWVCHPXVIU-QWHCGFSZSA-N 1 0 325.368 4.456 20 5 EIBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000552270768 1053846578 /nfs/dbraw/zinc/84/65/78/1053846578.db2.gz BLIWLHJFPQFXIY-XKGZKEIXSA-N 1 0 340.423 4.036 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000542665623 1053927033 /nfs/dbraw/zinc/92/70/33/1053927033.db2.gz HTKGTZWIYTVFJY-KRWDZBQOSA-N 1 0 346.814 4.424 20 5 EIBDRO CC(C)c1cc([C@@H]2CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC001197542355 1053932530 /nfs/dbraw/zinc/93/25/30/1053932530.db2.gz KQKADVBJKJEQIZ-LSDHHAIUSA-N 1 0 342.443 4.382 20 5 EIBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C(C2CCCC2)C2CCCC2)c1 ZINC001198020309 1054056187 /nfs/dbraw/zinc/05/61/87/1054056187.db2.gz PDIHQGLCFJNDNA-UHFFFAOYSA-N 1 0 332.444 4.312 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000173340384 1054068069 /nfs/dbraw/zinc/06/80/69/1054068069.db2.gz SWSZOJHSGWDIBG-SUMWQHHRSA-N 1 0 342.395 4.168 20 5 EIBDRO C[C@@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000090948663 1054175836 /nfs/dbraw/zinc/17/58/36/1054175836.db2.gz GMMKHWPKWUHSHH-GFCCVEGCSA-N 1 0 333.457 4.242 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCc1c(C)noc1C ZINC000872043031 1054355465 /nfs/dbraw/zinc/35/54/65/1054355465.db2.gz VGUVRDCHNAQVCD-NSHDSACASA-N 1 0 349.456 4.205 20 5 EIBDRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872078187 1054380842 /nfs/dbraw/zinc/38/08/42/1054380842.db2.gz FTBWSHSSTZVQEN-KGLIPLIRSA-N 1 0 331.391 4.191 20 5 EIBDRO Cc1c(C[NH2+]CCc2ccc(OC(C)(C)C)cc2)cccc1[N+](=O)[O-] ZINC001201595946 1054858894 /nfs/dbraw/zinc/85/88/94/1054858894.db2.gz XXYKDTJSFSZVFD-UHFFFAOYSA-N 1 0 342.439 4.413 20 5 EIBDRO CC(C)C(C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-])C(C)C ZINC001202059552 1055003189 /nfs/dbraw/zinc/00/31/89/1055003189.db2.gz WUOAVZILICYENX-UHFFFAOYSA-N 1 0 343.265 4.375 20 5 EIBDRO COc1cccc2c(C[NH2+]CCc3ccccc3[N+](=O)[O-])cccc12 ZINC001202229045 1055078135 /nfs/dbraw/zinc/07/81/35/1055078135.db2.gz YSCRYFFXZRQTTL-UHFFFAOYSA-N 1 0 336.391 4.089 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc3cc[nH]c3c2)cc(C(F)(F)F)c1 ZINC001202270543 1055107959 /nfs/dbraw/zinc/10/79/59/1055107959.db2.gz MPNYJURBLSEUID-UHFFFAOYSA-N 1 0 349.312 4.385 20 5 EIBDRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000878057912 1055182319 /nfs/dbraw/zinc/18/23/19/1055182319.db2.gz RDQKAGGDKYZORV-CHWSQXEVSA-N 1 0 344.415 4.044 20 5 EIBDRO Cc1c([C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000765817678 1055551624 /nfs/dbraw/zinc/55/16/24/1055551624.db2.gz PNSDGTDZIWQKAJ-SCLBCKFNSA-N 1 0 348.830 4.115 20 5 EIBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000301561586 1055731736 /nfs/dbraw/zinc/73/17/36/1055731736.db2.gz UXKWDNSFYFRHCI-CRAIPNDOSA-N 1 0 325.412 4.060 20 5 EIBDRO CC(C)Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000765844755 1055845737 /nfs/dbraw/zinc/84/57/37/1055845737.db2.gz JDFITLKYVBRZMN-MGPUTAFESA-N 1 0 342.439 4.178 20 5 EIBDRO Cc1ccc(CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)o1 ZINC000542774347 1055969881 /nfs/dbraw/zinc/96/98/81/1055969881.db2.gz ILQVTVJZPBEXIS-HXUWFJFHSA-N 1 0 336.391 4.418 20 5 EIBDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123168429 1056127825 /nfs/dbraw/zinc/12/78/25/1056127825.db2.gz DZWWPTJLMAZWGM-GFCCVEGCSA-N 1 0 333.457 4.376 20 5 EIBDRO CC[C@H]([NH2+]CCc1cccc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000327259398 1056389340 /nfs/dbraw/zinc/38/93/40/1056389340.db2.gz ANUHEMAFBHPIPR-IBGZPJMESA-N 1 0 335.407 4.426 20 5 EIBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C12CCCC2 ZINC000742390455 1058590674 /nfs/dbraw/zinc/59/06/74/1058590674.db2.gz HKBRBVPNTVVTGA-HZPDHXFCSA-N 1 0 338.835 4.076 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH+](C2CCC2)C2CCC2)c(Br)c1 ZINC001324371599 1059579242 /nfs/dbraw/zinc/57/92/42/1059579242.db2.gz XWKOTCKUTSVIJM-UHFFFAOYSA-N 1 0 339.233 4.264 20 5 EIBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000746048493 1059986035 /nfs/dbraw/zinc/98/60/35/1059986035.db2.gz ASKRJTBJGTVHKM-AWEZNQCLSA-N 1 0 343.383 4.177 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000766474114 1060377129 /nfs/dbraw/zinc/37/71/29/1060377129.db2.gz UXPMVFTZIZMMTE-NRFANRHFSA-N 1 0 348.402 4.085 20 5 EIBDRO [NH3+]Cc1ccc2ncn(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c2c1 ZINC001168847454 1060475496 /nfs/dbraw/zinc/47/54/96/1060475496.db2.gz GSYACLBXDUZNPB-UHFFFAOYSA-N 1 0 344.374 4.059 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2Oc2ccc(F)cc2)C1 ZINC001168977029 1060549211 /nfs/dbraw/zinc/54/92/11/1060549211.db2.gz HAPQCEQXJSVMPA-PBHICJAKSA-N 1 0 344.386 4.153 20 5 EIBDRO CC(C)([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(Cl)cc(Cl)c1 ZINC001168978189 1060549481 /nfs/dbraw/zinc/54/94/81/1060549481.db2.gz PPBNRNZHBXZLJP-QMTHXVAHSA-N 1 0 331.243 4.264 20 5 EIBDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168997923 1060571201 /nfs/dbraw/zinc/57/12/01/1060571201.db2.gz GPOKHIMMJFTGRW-UKRRQHHQSA-N 1 0 344.377 4.062 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(CC3CCC3)CCC(F)(F)CC2)C1 ZINC001168997970 1060571828 /nfs/dbraw/zinc/57/18/28/1060571828.db2.gz GWTJOIANRABZBG-LSDHHAIUSA-N 1 0 330.419 4.160 20 5 EIBDRO C[N@H+](Cc1ccccc1Oc1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035194 1060591454 /nfs/dbraw/zinc/59/14/54/1060591454.db2.gz BJRPIAYNGIEQEL-FUHWJXTLSA-N 1 0 340.423 4.356 20 5 EIBDRO C[N@H+](Cc1ccccc1Oc1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035193 1060592196 /nfs/dbraw/zinc/59/21/96/1060592196.db2.gz BJRPIAYNGIEQEL-AEFFLSMTSA-N 1 0 340.423 4.356 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC001169048365 1060601355 /nfs/dbraw/zinc/60/13/55/1060601355.db2.gz UWFKAZCZFNCUJF-UHOFOFEASA-N 1 0 342.361 4.288 20 5 EIBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC001169102535 1060638198 /nfs/dbraw/zinc/63/81/98/1060638198.db2.gz OJBLVPQBPPHWTL-CYBMUJFWSA-N 1 0 340.832 4.429 20 5 EIBDRO CC1(C)C[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169137234 1060653665 /nfs/dbraw/zinc/65/36/65/1060653665.db2.gz JESLXHUKNLYQOD-BFUOFWGJSA-N 1 0 342.443 4.099 20 5 EIBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC001169567074 1060859233 /nfs/dbraw/zinc/85/92/33/1060859233.db2.gz LYNDWQBWHHCVTB-UKRRQHHQSA-N 1 0 347.459 4.036 20 5 EIBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1nccc2c1cccc2[N+](=O)[O-] ZINC001169682892 1060896821 /nfs/dbraw/zinc/89/68/21/1060896821.db2.gz FZJICTJFAYEJQE-QGZVFWFLSA-N 1 0 348.406 4.383 20 5 EIBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc([N+](=O)[O-])cc(C)c1F ZINC001169690439 1060902543 /nfs/dbraw/zinc/90/25/43/1060902543.db2.gz LRDYXICDOQJFFI-HNNXBMFYSA-N 1 0 329.375 4.282 20 5 EIBDRO C[C@H]([NH2+]Cc1cc(Br)cs1)c1cccc([N+](=O)[O-])c1 ZINC000037775668 213167445 /nfs/dbraw/zinc/16/74/45/213167445.db2.gz IFPREXAUXWXRSS-VIFPVBQESA-N 1 0 341.230 4.270 20 5 EIBDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000532302800 1032140431 /nfs/dbraw/zinc/14/04/31/1032140431.db2.gz DSPFUXKZZATMOJ-BLLLJJGKSA-N 1 0 331.441 4.387 20 5 EIBDRO CC[C@@H](C)[C@H](C)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000532963255 1032413530 /nfs/dbraw/zinc/41/35/30/1032413530.db2.gz BKXFERBNNMMWJQ-OLZOCXBDSA-N 1 0 344.415 4.044 20 5 EIBDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000475721412 1032501857 /nfs/dbraw/zinc/50/18/57/1032501857.db2.gz AZNFBCZTZKPUIA-QLFBSQMISA-N 1 0 343.427 4.159 20 5 EIBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000533289468 1032605784 /nfs/dbraw/zinc/60/57/84/1032605784.db2.gz LOZVYPZBSQJYEB-CZUORRHYSA-N 1 0 344.415 4.045 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000430202285 1019263309 /nfs/dbraw/zinc/26/33/09/1019263309.db2.gz FWLLNHYOSLNJLD-IBGZPJMESA-N 1 0 344.386 4.374 20 5 EIBDRO COc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)C(C)C)cc1 ZINC000430225893 1019500553 /nfs/dbraw/zinc/50/05/53/1019500553.db2.gz ZKADHWISVKAOLY-IBGZPJMESA-N 1 0 344.411 4.099 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C[C@H](O)c1ccccc1 ZINC000120643382 1019954054 /nfs/dbraw/zinc/95/40/54/1019954054.db2.gz HEKOEWKDBCGSCG-DOXZYTNZSA-N 1 0 328.412 4.066 20 5 EIBDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000154461499 1020043297 /nfs/dbraw/zinc/04/32/97/1020043297.db2.gz SDZPJFYPURHESN-SJCJKPOMSA-N 1 0 334.441 4.135 20 5 EIBDRO C[NH2+]Cc1cn(-c2nccc3cc([N+](=O)[O-])ccc32)c2ccc(C)cc12 ZINC001167122558 1020263826 /nfs/dbraw/zinc/26/38/26/1020263826.db2.gz INIVIXCZUWETGM-UHFFFAOYSA-N 1 0 346.390 4.115 20 5 EIBDRO Cc1ccc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000510208388 1020456569 /nfs/dbraw/zinc/45/65/69/1020456569.db2.gz NKBZTNSALYSMDU-UHFFFAOYSA-N 1 0 343.402 4.119 20 5 EIBDRO Cc1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000120863542 1020549060 /nfs/dbraw/zinc/54/90/60/1020549060.db2.gz IQBLJAPCTZDOTG-IEBWSBKVSA-N 1 0 340.423 4.161 20 5 EIBDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(C)s2)cc1[N+](=O)[O-] ZINC000261474552 1021035322 /nfs/dbraw/zinc/03/53/22/1021035322.db2.gz KGURWYVQLKNAQM-AWEZNQCLSA-N 1 0 332.425 4.310 20 5 EIBDRO CC(C)(CCc1ccccc1)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001167325892 1021122868 /nfs/dbraw/zinc/12/28/68/1021122868.db2.gz HESWEHGFHCOZMI-UHFFFAOYSA-N 1 0 334.366 4.374 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCCOc2cc(F)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000179963872 1021187212 /nfs/dbraw/zinc/18/72/12/1021187212.db2.gz PYNPYZCJBGVZJH-SJKOYZFVSA-N 1 0 330.359 4.298 20 5 EIBDRO COc1cc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)ccc1SC ZINC000090910150 1021316720 /nfs/dbraw/zinc/31/67/20/1021316720.db2.gz MTLOJAKLIIFCPL-CYBMUJFWSA-N 1 0 346.452 4.219 20 5 EIBDRO COc1ccc(C[NH2+]CCc2cc3ccccc3s2)cc1[N+](=O)[O-] ZINC000579257943 1021327091 /nfs/dbraw/zinc/32/70/91/1021327091.db2.gz SUIOVMHCZHAWOX-UHFFFAOYSA-N 1 0 342.420 4.150 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000610369756 1021548215 /nfs/dbraw/zinc/54/82/15/1021548215.db2.gz SSJYTLQQDMOKQJ-RDTXWAMCSA-N 1 0 328.437 4.446 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000610370722 1021551549 /nfs/dbraw/zinc/55/15/49/1021551549.db2.gz PHKYRJGAAKXWGI-INIZCTEOSA-N 1 0 328.437 4.209 20 5 EIBDRO CCC[C@@H]([NH2+][C@@H](C)c1ccnc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000348643983 1021697424 /nfs/dbraw/zinc/69/74/24/1021697424.db2.gz PMMPRUZPSKOBFY-SUMWQHHRSA-N 1 0 329.400 4.190 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000580550262 1021797702 /nfs/dbraw/zinc/79/77/02/1021797702.db2.gz BRMJZDKBCKHHBZ-AGIUHOORSA-N 1 0 332.425 4.151 20 5 EIBDRO CC[C@H]1CCCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000580604606 1021805942 /nfs/dbraw/zinc/80/59/42/1021805942.db2.gz LRVXCNIESYCVFH-INIZCTEOSA-N 1 0 343.427 4.447 20 5 EIBDRO Cc1nc2c(s1)[C@@H]([N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-])CCC2 ZINC000255524113 1022031373 /nfs/dbraw/zinc/03/13/73/1022031373.db2.gz MZXOWNKYICRHEQ-QLBOMPFWSA-N 1 0 343.452 4.382 20 5 EIBDRO C[C@@H]1CCC(C)(C)[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000452012699 1022215628 /nfs/dbraw/zinc/21/56/28/1022215628.db2.gz SHYRBWJIIYJKMO-CYBMUJFWSA-N 1 0 329.400 4.055 20 5 EIBDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000471605319 1022346536 /nfs/dbraw/zinc/34/65/36/1022346536.db2.gz GFFZMBYLTWEOFI-PUWCWTCHSA-N 1 0 346.452 4.301 20 5 EIBDRO COc1ccc(CCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000481052378 1022397009 /nfs/dbraw/zinc/39/70/09/1022397009.db2.gz YPBHWPOCEYDRAT-OAHLLOKOSA-N 1 0 328.412 4.195 20 5 EIBDRO COc1ccc(C[NH2+]C(C)(C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000103482051 1022397876 /nfs/dbraw/zinc/39/78/76/1022397876.db2.gz HTYGLSZUDAKOAM-UHFFFAOYSA-N 1 0 334.803 4.282 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000414282958 1022400329 /nfs/dbraw/zinc/40/03/29/1022400329.db2.gz OMFWQHKYRSWMSY-WDEREUQCSA-N 1 0 334.338 4.233 20 5 EIBDRO C[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1ccc([N+](=O)[O-])cc1 ZINC000471621288 1022565608 /nfs/dbraw/zinc/56/56/08/1022565608.db2.gz VICRRZBZRVYYOG-CYBMUJFWSA-N 1 0 341.386 4.119 20 5 EIBDRO Cc1ccc2cc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)ccc2n1 ZINC000549407252 1022566388 /nfs/dbraw/zinc/56/63/88/1022566388.db2.gz FONVAUVHQXHKJA-UHFFFAOYSA-N 1 0 335.407 4.126 20 5 EIBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H](OCC)C1(C)C ZINC001167443290 1022808613 /nfs/dbraw/zinc/80/86/13/1022808613.db2.gz RMDQIBORKPLOPS-MSOLQXFVSA-N 1 0 334.460 4.053 20 5 EIBDRO COc1cc(Cl)ccc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000156817705 1022833112 /nfs/dbraw/zinc/83/31/12/1022833112.db2.gz OYRURPBXBLCBNJ-GFCCVEGCSA-N 1 0 334.803 4.416 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000581161360 1022859862 /nfs/dbraw/zinc/85/98/62/1022859862.db2.gz WGNAEIKAHJNXKB-OAHLLOKOSA-N 1 0 338.329 4.106 20 5 EIBDRO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])CCS2 ZINC000276074433 1022897364 /nfs/dbraw/zinc/89/73/64/1022897364.db2.gz AIAQIEWSSMMRKX-MLGOLLRUSA-N 1 0 344.436 4.491 20 5 EIBDRO C[C@@H]([NH3+])c1ccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000178255341 1023081538 /nfs/dbraw/zinc/08/15/38/1023081538.db2.gz QNUHHDHIXOYMES-GFCCVEGCSA-N 1 0 341.411 4.164 20 5 EIBDRO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]2CCCC[C@H]12 ZINC000610581896 1023222622 /nfs/dbraw/zinc/22/26/22/1023222622.db2.gz XNMCFCNGYKLFRP-XPKDYRNWSA-N 1 0 329.400 4.137 20 5 EIBDRO CC1(C)C[C@@H]([NH2+][C@@H]2COCc3ccccc32)c2cc([N+](=O)[O-])ccc21 ZINC000417372742 1023294392 /nfs/dbraw/zinc/29/43/92/1023294392.db2.gz XLCVIUYXBXASTN-RTBURBONSA-N 1 0 338.407 4.178 20 5 EIBDRO CC(C)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3)cc1[N+](=O)[O-] ZINC000414979143 1023383970 /nfs/dbraw/zinc/38/39/70/1023383970.db2.gz TWGGXBKAFGWOAP-UHFFFAOYSA-N 1 0 339.439 4.366 20 5 EIBDRO COc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000610511691 1023405572 /nfs/dbraw/zinc/40/55/72/1023405572.db2.gz ZOFMLUAVAGVLFV-OLZOCXBDSA-N 1 0 346.349 4.062 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(OC2CCC2)CC1 ZINC000418090586 1023525487 /nfs/dbraw/zinc/52/54/87/1023525487.db2.gz LNSBXHWZZSQKMW-NTCAYCPXSA-N 1 0 330.428 4.032 20 5 EIBDRO CC(=O)Nc1ccc([C@H](C)NCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000781915585 1023578536 /nfs/dbraw/zinc/57/85/36/1023578536.db2.gz YXUUYZJEIBYQJO-NSHDSACASA-N 1 0 347.802 4.057 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CCOc2ccc(OC)cc21)c1cccc([N+](=O)[O-])c1 ZINC000090918680 1023675258 /nfs/dbraw/zinc/67/52/58/1023675258.db2.gz BFNCLKBNEFNZHK-ZWKOTPCHSA-N 1 0 342.395 4.168 20 5 EIBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000062726341 1023706978 /nfs/dbraw/zinc/70/69/78/1023706978.db2.gz AIRCOTQPHQWCTQ-GFCCVEGCSA-N 1 0 349.228 4.251 20 5 EIBDRO C[C@@H]([NH2+]CC1CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178278223 1023887247 /nfs/dbraw/zinc/88/72/47/1023887247.db2.gz OTRXBPAYAGKACC-CYBMUJFWSA-N 1 0 346.452 4.401 20 5 EIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1Br ZINC000108105861 1023994516 /nfs/dbraw/zinc/99/45/16/1023994516.db2.gz CVYSRHHLCXUPOW-UHFFFAOYSA-N 1 0 349.228 4.032 20 5 EIBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CC1CCCCC1)c1ccccc1 ZINC000341636518 1024071365 /nfs/dbraw/zinc/07/13/65/1024071365.db2.gz INSDHJURRJCCJA-QGZVFWFLSA-N 1 0 342.443 4.130 20 5 EIBDRO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000610582219 1024132499 /nfs/dbraw/zinc/13/24/99/1024132499.db2.gz KNVRMVZSYZBNHT-CQSZACIVSA-N 1 0 339.395 4.107 20 5 EIBDRO CCC1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000510657034 1024185984 /nfs/dbraw/zinc/18/59/84/1024185984.db2.gz IMXBWGXHNZMLKU-UHFFFAOYSA-N 1 0 331.441 4.340 20 5 EIBDRO Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000893472383 1024284282 /nfs/dbraw/zinc/28/42/82/1024284282.db2.gz LOFMZDGXZTTZAI-LBPRGKRZSA-N 1 0 337.832 4.180 20 5 EIBDRO Cc1nc2ccc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)cc2s1 ZINC000549805016 1033231294 /nfs/dbraw/zinc/23/12/94/1033231294.db2.gz BPBBAJVSVBDBOM-UHFFFAOYSA-N 1 0 341.436 4.187 20 5 EIBDRO CCC[C@@H]([NH2+]CCCCn1ccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000164652280 1024773822 /nfs/dbraw/zinc/77/38/22/1024773822.db2.gz QNXZEEYKFWZBIS-GOSISDBHSA-N 1 0 330.432 4.011 20 5 EIBDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000510976528 1024873155 /nfs/dbraw/zinc/87/31/55/1024873155.db2.gz MLOPCGKTLDQAKN-YVEFUNNKSA-N 1 0 344.386 4.389 20 5 EIBDRO CCC[C@H]([NH2+]CCN1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000610805576 1024986418 /nfs/dbraw/zinc/98/64/18/1024986418.db2.gz KACUZFXKFHPWEQ-FQEVSTJZSA-N 1 0 339.439 4.041 20 5 EIBDRO COc1ccccc1OCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000610810314 1024993584 /nfs/dbraw/zinc/99/35/84/1024993584.db2.gz FBTWCTNPGBRTSE-HNNXBMFYSA-N 1 0 344.411 4.032 20 5 EIBDRO CC[C@@H]([NH2+]CCCOc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000610810319 1024994058 /nfs/dbraw/zinc/99/40/58/1024994058.db2.gz GXQJLRDCDKOHDG-QGZVFWFLSA-N 1 0 344.411 4.113 20 5 EIBDRO CC(C)c1csc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000128539125 1025033247 /nfs/dbraw/zinc/03/32/47/1025033247.db2.gz QAMURLSVDZKBJA-HNNXBMFYSA-N 1 0 345.468 4.286 20 5 EIBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065202220 1025150465 /nfs/dbraw/zinc/15/04/65/1025150465.db2.gz HUGPAMQCTVZINQ-MRXNPFEDSA-N 1 0 343.402 4.058 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000539269091 1025919177 /nfs/dbraw/zinc/91/91/77/1025919177.db2.gz QSBTUSWQFUUGNX-ZIAGYGMSSA-N 1 0 344.411 4.414 20 5 EIBDRO Cc1cncc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000279155920 1026155957 /nfs/dbraw/zinc/15/59/57/1026155957.db2.gz AZRYSTWQGFSMGB-NSHDSACASA-N 1 0 339.317 4.168 20 5 EIBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCOC3(CCC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000279185434 1026185177 /nfs/dbraw/zinc/18/51/77/1026185177.db2.gz VYFZAEWVMMCUOH-SUMWQHHRSA-N 1 0 330.428 4.009 20 5 EIBDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000101593011 1026227422 /nfs/dbraw/zinc/22/74/22/1026227422.db2.gz VDZQFWPPXOORQR-CQSZACIVSA-N 1 0 344.411 4.243 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)c(F)c1 ZINC000478239930 1026529982 /nfs/dbraw/zinc/52/99/82/1026529982.db2.gz ZARDGVDJZQBHLN-UHFFFAOYSA-N 1 0 347.777 4.201 20 5 EIBDRO Cc1cc(CN2CCc3c(cccc3[N+](=O)[O-])C2)cc2cccnc12 ZINC000582446068 1026646966 /nfs/dbraw/zinc/64/69/66/1026646966.db2.gz XXDPZWFAOYYLBJ-UHFFFAOYSA-N 1 0 333.391 4.010 20 5 EIBDRO CCCC[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000507246404 1026721958 /nfs/dbraw/zinc/72/19/58/1026721958.db2.gz IUNNSFHARXLKGO-UHFFFAOYSA-N 1 0 331.441 4.483 20 5 EIBDRO CC[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000519908209 1027039866 /nfs/dbraw/zinc/03/98/66/1027039866.db2.gz MATFIMHPERHCKH-UHFFFAOYSA-N 1 0 334.803 4.279 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1cccc(-n2cccn2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178660942 1027263046 /nfs/dbraw/zinc/26/30/46/1027263046.db2.gz PXSRTDYENPMCRZ-HUUCEWRRSA-N 1 0 336.395 4.192 20 5 EIBDRO C[C@H]([NH2+]Cc1ccccc1OCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178657986 1027274603 /nfs/dbraw/zinc/27/46/03/1027274603.db2.gz MTJUBMJGMQEFAM-AWEZNQCLSA-N 1 0 326.396 4.234 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000550321318 1027398708 /nfs/dbraw/zinc/39/87/08/1027398708.db2.gz OGGACJWJFKTNIE-HDJSIYSDSA-N 1 0 346.814 4.293 20 5 EIBDRO COc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000441353282 1027472250 /nfs/dbraw/zinc/47/22/50/1027472250.db2.gz YZIQWHZVAXRTHY-GUYCJALGSA-N 1 0 344.386 4.326 20 5 EIBDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000178684787 1027481947 /nfs/dbraw/zinc/48/19/47/1027481947.db2.gz JVMCFNZMWAICSN-ACJLOTCBSA-N 1 0 342.395 4.168 20 5 EIBDRO CCC[C@H]([NH2+]Cc1cccc(COC)c1)c1cccc([N+](=O)[O-])c1 ZINC000121423252 1027668731 /nfs/dbraw/zinc/66/87/31/1027668731.db2.gz HAUVKVYHZKFFAF-IBGZPJMESA-N 1 0 328.412 4.372 20 5 EIBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CCC(C(F)(F)F)CC1 ZINC000474892543 1027748666 /nfs/dbraw/zinc/74/86/66/1027748666.db2.gz JUQRXRAQTAINAO-LRVUVFPRSA-N 1 0 344.377 4.484 20 5 EIBDRO CC1CCC([N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]2CCCO2)CC1 ZINC000441431183 1027847584 /nfs/dbraw/zinc/84/75/84/1027847584.db2.gz CIXQFEFSZDJCPE-KVWWFHCMSA-N 1 0 332.444 4.155 20 5 EIBDRO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCC[C@@H]1C ZINC000444666403 1027947602 /nfs/dbraw/zinc/94/76/02/1027947602.db2.gz SHUNGKQTCMAHEO-XJKSGUPXSA-N 1 0 344.415 4.045 20 5 EIBDRO C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc2ccccc2o1 ZINC000444669314 1027951546 /nfs/dbraw/zinc/95/15/46/1027951546.db2.gz FAVZCERWXWKUBX-LLVKDONJSA-N 1 0 336.351 4.068 20 5 EIBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCCC1 ZINC000536322386 1027957876 /nfs/dbraw/zinc/95/78/76/1027957876.db2.gz XMUHUZMXBNBZNT-UHFFFAOYSA-N 1 0 329.400 4.404 20 5 EIBDRO CC(C)O[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000428310750 1027983512 /nfs/dbraw/zinc/98/35/12/1027983512.db2.gz IMVSADMFDKDZBO-BEFAXECRSA-N 1 0 328.412 4.412 20 5 EIBDRO CC1CCC([N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]2CCCO2)CC1 ZINC000441456052 1028030862 /nfs/dbraw/zinc/03/08/62/1028030862.db2.gz FPBPDHZWXAXLJI-VJFUWPCTSA-N 1 0 332.444 4.155 20 5 EIBDRO CC[C@H]([NH2+]CCNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000523386170 1028056314 /nfs/dbraw/zinc/05/63/14/1028056314.db2.gz NFJCCSJEAODYGD-KRWDZBQOSA-N 1 0 335.354 4.026 20 5 EIBDRO C[NH+](C)[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000248007625 1028083656 /nfs/dbraw/zinc/08/36/56/1028083656.db2.gz OUAPXFPNYXJFEA-ZDUSSCGKSA-N 1 0 325.821 4.025 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(O)CCCCCC3)o2)cc1 ZINC000522757517 1028758085 /nfs/dbraw/zinc/75/80/85/1028758085.db2.gz KYBCLQFJLFJBGY-UHFFFAOYSA-N 1 0 344.411 4.030 20 5 EIBDRO CCC[N@@H+]1Cc2cccc(N[C@H](C)c3ccccc3[N+](=O)[O-])c2C1 ZINC000080467456 1028844319 /nfs/dbraw/zinc/84/43/19/1028844319.db2.gz GDBQXYRMTQIFBG-CQSZACIVSA-N 1 0 325.412 4.494 20 5 EIBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000524425760 1028956792 /nfs/dbraw/zinc/95/67/92/1028956792.db2.gz QNHRSXBPBBXLLD-MRXNPFEDSA-N 1 0 342.439 4.099 20 5 EIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000445892506 1028989034 /nfs/dbraw/zinc/98/90/34/1028989034.db2.gz CCKGPJPBIAVCJJ-CQSZACIVSA-N 1 0 348.365 4.449 20 5 EIBDRO CN(Cc1ccccc1[N+](=O)[O-])Cc1c(Cl)ccc2cccnc21 ZINC000052589530 1029196481 /nfs/dbraw/zinc/19/64/81/1029196481.db2.gz BYLAIGNMBWYVES-UHFFFAOYSA-N 1 0 341.798 4.428 20 5 EIBDRO Cc1c(C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)cccc1[N+](=O)[O-] ZINC000524755987 1029206433 /nfs/dbraw/zinc/20/64/33/1029206433.db2.gz FLOBTYSKUANYRX-FQEVSTJZSA-N 1 0 339.439 4.306 20 5 EIBDRO Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000168602471 1029454469 /nfs/dbraw/zinc/45/44/69/1029454469.db2.gz UFIAENBUUBUSSR-GFCCVEGCSA-N 1 0 336.338 4.355 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000340514535 1029575317 /nfs/dbraw/zinc/57/53/17/1029575317.db2.gz ZZYRKSXHHUFRJD-KRWDZBQOSA-N 1 0 346.814 4.164 20 5 EIBDRO O=[N+]([O-])c1ccc(CNc2[nH+]ccn2Cc2ccccc2)c(Cl)c1 ZINC000508473795 1029581473 /nfs/dbraw/zinc/58/14/73/1029581473.db2.gz NQUMPJIJQAHJAD-UHFFFAOYSA-N 1 0 342.786 4.105 20 5 EIBDRO CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000525401492 1029619167 /nfs/dbraw/zinc/61/91/67/1029619167.db2.gz XIEXKGWXKOOTEM-LJQANCHMSA-N 1 0 346.427 4.132 20 5 EIBDRO C[C@H](CCc1ccc(F)cc1F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000562854306 1029826567 /nfs/dbraw/zinc/82/65/67/1029826567.db2.gz HWJYQLSQQVUHJH-CYBMUJFWSA-N 1 0 334.366 4.026 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc(Cl)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000450674633 1029906658 /nfs/dbraw/zinc/90/66/58/1029906658.db2.gz CCLLHJCULVHYAZ-MRXNPFEDSA-N 1 0 334.803 4.498 20 5 EIBDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000525758950 1029979823 /nfs/dbraw/zinc/97/98/23/1029979823.db2.gz YXOIOFMHBOYUFJ-KGLIPLIRSA-N 1 0 348.468 4.210 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCNc1ccccc1)CCC2 ZINC000447538745 1030144661 /nfs/dbraw/zinc/14/46/61/1030144661.db2.gz CWTLJHBZJQPJIE-LJQANCHMSA-N 1 0 325.412 4.064 20 5 EIBDRO CCc1nc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)sc1C ZINC000447540192 1030145340 /nfs/dbraw/zinc/14/53/40/1030145340.db2.gz IPWYQHRCNCCXHD-KRWDZBQOSA-N 1 0 345.468 4.132 20 5 EIBDRO Cc1c(C[NH2+]Cc2cnc(-c3ccsc3)s2)cccc1[N+](=O)[O-] ZINC000480502704 1030148383 /nfs/dbraw/zinc/14/83/83/1030148383.db2.gz WKCIQXRNWUHTSS-UHFFFAOYSA-N 1 0 345.449 4.378 20 5 EIBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451006864 1030174926 /nfs/dbraw/zinc/17/49/26/1030174926.db2.gz SJEUVWYFMSMGCQ-CQSZACIVSA-N 1 0 331.803 4.023 20 5 EIBDRO CO[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000447589130 1030191715 /nfs/dbraw/zinc/19/17/15/1030191715.db2.gz WQIVWYULQPUHCY-RBUKOAKNSA-N 1 0 344.386 4.089 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000127500877 1030191997 /nfs/dbraw/zinc/19/19/97/1030191997.db2.gz WZRYPLJVYXWPCL-CVEARBPZSA-N 1 0 332.444 4.436 20 5 EIBDRO CC(C)[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccnc1 ZINC000447578718 1030205871 /nfs/dbraw/zinc/20/58/71/1030205871.db2.gz GUBTUDKLOBNUJN-VQTJNVASSA-N 1 0 339.439 4.397 20 5 EIBDRO CCOc1cc(C)ccc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447578724 1030206564 /nfs/dbraw/zinc/20/65/64/1030206564.db2.gz GVXSGEDZBQBSPT-LJQANCHMSA-N 1 0 340.423 4.469 20 5 EIBDRO CCc1cnccc1[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447579818 1030211705 /nfs/dbraw/zinc/21/17/05/1030211705.db2.gz LSGQZEKVRTYQIN-BFUOFWGJSA-N 1 0 325.412 4.280 20 5 EIBDRO C[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)Oc1ccccc1 ZINC000447579697 1030211991 /nfs/dbraw/zinc/21/19/91/1030211991.db2.gz LNOXUCLVTUODDR-AUUYWEPGSA-N 1 0 326.396 4.029 20 5 EIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCCc3sccc32)n1 ZINC000447602495 1030223066 /nfs/dbraw/zinc/22/30/66/1030223066.db2.gz USOSLCGNGJITJF-RBSFLKMASA-N 1 0 346.456 4.004 20 5 EIBDRO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccc1Cl ZINC000447604674 1030226943 /nfs/dbraw/zinc/22/69/43/1030226943.db2.gz CAFTXMSDYRSANG-HZPDHXFCSA-N 1 0 348.834 4.027 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H]3CCC34CCCC4)co2)cc1 ZINC000451460446 1030513414 /nfs/dbraw/zinc/51/34/14/1030513414.db2.gz RUEWBHDMQBCEDC-MRXNPFEDSA-N 1 0 327.384 4.062 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H]2CCSC2)c2ccccc2)c1 ZINC000448029773 1030526487 /nfs/dbraw/zinc/52/64/87/1030526487.db2.gz QWHYXMCNEOVTIN-KDOFPFPSSA-N 1 0 328.437 4.027 20 5 EIBDRO COc1ccc(CNC2(c3ccc(F)cc3F)CCC2)cc1[N+](=O)[O-] ZINC000136134824 1030541804 /nfs/dbraw/zinc/54/18/04/1030541804.db2.gz MLYLENNFJPMTEW-UHFFFAOYSA-N 1 0 348.349 4.051 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCOCC1 ZINC000530566520 1030546514 /nfs/dbraw/zinc/54/65/14/1030546514.db2.gz XPDRWYUFQOFWQC-SFHVURJKSA-N 1 0 344.411 4.150 20 5 EIBDRO COC1CCC(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000530932942 1030815277 /nfs/dbraw/zinc/81/52/77/1030815277.db2.gz KHXFDNIOZHSCMK-UHFFFAOYSA-N 1 0 344.411 4.150 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000530967982 1030821242 /nfs/dbraw/zinc/82/12/42/1030821242.db2.gz JCTDKBJUTFODIY-GOSISDBHSA-N 1 0 344.459 4.329 20 5 EIBDRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000530974166 1030822355 /nfs/dbraw/zinc/82/23/55/1030822355.db2.gz VYZSZCBYYZDQFX-OCCSQVGLSA-N 1 0 330.350 4.362 20 5 EIBDRO CC(C)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC(C)(C)C1 ZINC000452104628 1030843697 /nfs/dbraw/zinc/84/36/97/1030843697.db2.gz MGDPINQIOSZDDU-UHFFFAOYSA-N 1 0 344.415 4.044 20 5 EIBDRO Cc1ncc(CN(C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)s1 ZINC000179382661 1031038417 /nfs/dbraw/zinc/03/84/17/1031038417.db2.gz IBZHURCMHAUDSU-UHFFFAOYSA-N 1 0 343.408 4.252 20 5 EIBDRO CC[C@@H](c1ccccc1)[N@H+](CC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000532503270 1031224191 /nfs/dbraw/zinc/22/41/91/1031224191.db2.gz BJPLQOOBXCQRDY-KRWDZBQOSA-N 1 0 341.411 4.007 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1[N+](=O)[O-] ZINC000278789252 1031349551 /nfs/dbraw/zinc/34/95/51/1031349551.db2.gz QFQCSOSADDEPHB-SJKOYZFVSA-N 1 0 341.367 4.231 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000449099718 1031444797 /nfs/dbraw/zinc/44/47/97/1031444797.db2.gz OWDPSXZPGSSZIW-YSGRDPCXSA-N 1 0 340.423 4.036 20 5 EIBDRO Cc1csc([C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000449169751 1031490233 /nfs/dbraw/zinc/49/02/33/1031490233.db2.gz DRPSRCBBDUQACS-ZBEGNZNMSA-N 1 0 331.441 4.032 20 5 EIBDRO COc1ccc2c(c1)CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C2 ZINC000612419765 1031500827 /nfs/dbraw/zinc/50/08/27/1031500827.db2.gz NPOGYMWTFCWISO-YOEHRIQHSA-N 1 0 340.423 4.120 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000449183539 1031520814 /nfs/dbraw/zinc/52/08/14/1031520814.db2.gz KYPRKPSKULSQHW-NFAWXSAZSA-N 1 0 344.377 4.484 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000449210274 1031534115 /nfs/dbraw/zinc/53/41/15/1031534115.db2.gz RRACBGBWPBZRNS-CYBMUJFWSA-N 1 0 347.484 4.112 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000453105928 1031598220 /nfs/dbraw/zinc/59/82/20/1031598220.db2.gz IHOTWHKRKPPDCD-XHDPSFHLSA-N 1 0 332.425 4.393 20 5 EIBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccncc1 ZINC000453210134 1031725643 /nfs/dbraw/zinc/72/56/43/1031725643.db2.gz FLHUQIFOYUWJRU-HNNXBMFYSA-N 1 0 339.317 4.250 20 5 EIBDRO CCO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C ZINC000449504078 1031812640 /nfs/dbraw/zinc/81/26/40/1031812640.db2.gz YHONJTLLMREVCT-KSSFIOAISA-N 1 0 344.411 4.102 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cc4cccnc4o3)C2)cc1 ZINC000449503195 1031812867 /nfs/dbraw/zinc/81/28/67/1031812867.db2.gz SZQPCFPVYODUNZ-INIZCTEOSA-N 1 0 337.379 4.116 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H](C)O ZINC000453322175 1031849518 /nfs/dbraw/zinc/84/95/18/1031849518.db2.gz ACVICZKYUZHBAQ-BZPMIXESSA-N 1 0 334.441 4.133 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000453355773 1031883284 /nfs/dbraw/zinc/88/32/84/1031883284.db2.gz IRHWBQYYYWSDGW-ZFWWWQNUSA-N 1 0 348.472 4.033 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCC[C@@H]2CCOC2)c2ccccc2)c1 ZINC000453385343 1031894026 /nfs/dbraw/zinc/89/40/26/1031894026.db2.gz UJLRYNYRGHDFRL-UZLBHIALSA-N 1 0 340.423 4.091 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC[C@H]3CCOC3)s2)cc1 ZINC000449685612 1031929968 /nfs/dbraw/zinc/92/99/68/1031929968.db2.gz SUEDFPCYQXOCHA-AWEZNQCLSA-N 1 0 346.452 4.230 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNCc2cnc(C3CC3)o2)o1 ZINC000449695777 1031934481 /nfs/dbraw/zinc/93/44/81/1031934481.db2.gz GHLHMZDUETWDLM-UHFFFAOYSA-N 1 0 339.351 4.010 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](CO)c1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000531995085 1031962519 /nfs/dbraw/zinc/96/25/19/1031962519.db2.gz WZERUZYVXGRGIT-OALUTQOASA-N 1 0 328.412 4.068 20 5 EIBDRO CN(Cc1ccsc1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000120450894 1033452380 /nfs/dbraw/zinc/45/23/80/1033452380.db2.gz RZUCZCZBEAIZCJ-UHFFFAOYSA-N 1 0 345.449 4.412 20 5 EIBDRO C[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1C ZINC000512643512 1033599914 /nfs/dbraw/zinc/59/99/14/1033599914.db2.gz DMZRZZMACMCFLU-CHWSQXEVSA-N 1 0 331.441 4.339 20 5 EIBDRO Cc1cnc(C2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)s1 ZINC000433018794 1033666772 /nfs/dbraw/zinc/66/67/72/1033666772.db2.gz GJLBZXGHFJIXCH-UHFFFAOYSA-N 1 0 331.441 4.048 20 5 EIBDRO COc1cc(C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)ccc1SC ZINC000512697198 1033718068 /nfs/dbraw/zinc/71/80/68/1033718068.db2.gz ONRKGISAXUHTLI-UHFFFAOYSA-N 1 0 346.452 4.266 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000433048215 1033719383 /nfs/dbraw/zinc/71/93/83/1033719383.db2.gz VVKKALLLOMKNAV-UHFFFAOYSA-N 1 0 345.830 4.331 20 5 EIBDRO CCOC1CC(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433092202 1033831341 /nfs/dbraw/zinc/83/13/41/1033831341.db2.gz WOMXNLRWPPNCJT-LEHRNKBSSA-N 1 0 332.444 4.112 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433138633 1033916615 /nfs/dbraw/zinc/91/66/15/1033916615.db2.gz YMYAMUUKJDMUIP-GOSISDBHSA-N 1 0 326.396 4.116 20 5 EIBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433163411 1033960288 /nfs/dbraw/zinc/96/02/88/1033960288.db2.gz BRYQFOUSFDXZPO-BFUOFWGJSA-N 1 0 340.423 4.244 20 5 EIBDRO C[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1nccs1 ZINC000433239758 1034077296 /nfs/dbraw/zinc/07/72/96/1034077296.db2.gz LVKYCIUBROXLIX-IAQYHMDHSA-N 1 0 331.441 4.167 20 5 EIBDRO CSc1cc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ccn1 ZINC000433280098 1034145948 /nfs/dbraw/zinc/14/59/48/1034145948.db2.gz ARWVJVLBBJUWML-INIZCTEOSA-N 1 0 343.452 4.224 20 5 EIBDRO Cc1ccsc1[C@H](CO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433290933 1034183076 /nfs/dbraw/zinc/18/30/76/1034183076.db2.gz UNNLSFRPQQYWMO-HOTGVXAUSA-N 1 0 346.452 4.010 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c(F)c1 ZINC000433292504 1034183142 /nfs/dbraw/zinc/18/31/42/1034183142.db2.gz XJQVLLNUAVDBTR-SFHVURJKSA-N 1 0 344.386 4.255 20 5 EIBDRO CSCc1ccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000512972231 1034265288 /nfs/dbraw/zinc/26/52/88/1034265288.db2.gz RDAHDKUQIRMVQU-GQCTYLIASA-N 1 0 328.437 4.261 20 5 EIBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000513077867 1034499144 /nfs/dbraw/zinc/49/91/44/1034499144.db2.gz VWVMNMKZCBKASO-MISYRCLQSA-N 1 0 340.423 4.036 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C)Cc1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000120633289 1034659865 /nfs/dbraw/zinc/65/98/65/1034659865.db2.gz PBBGXNATNCWEAY-YJYMSZOUSA-N 1 0 344.459 4.007 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513360363 1034892477 /nfs/dbraw/zinc/89/24/77/1034892477.db2.gz AIOINHQTFFGOKQ-OAHLLOKOSA-N 1 0 343.402 4.007 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513406175 1034919567 /nfs/dbraw/zinc/91/95/67/1034919567.db2.gz NTRNBMUAAQOYJD-HNNXBMFYSA-N 1 0 343.402 4.007 20 5 EIBDRO COc1cc(C[NH2+][C@H](C)c2ccccc2SC)ccc1[N+](=O)[O-] ZINC000501487861 1035451847 /nfs/dbraw/zinc/45/18/47/1035451847.db2.gz AYOHCOXRRVSLSX-GFCCVEGCSA-N 1 0 332.425 4.176 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000595015483 1035505459 /nfs/dbraw/zinc/50/54/59/1035505459.db2.gz OBULAUDZTGPSLL-GTNSWQLSSA-N 1 0 330.359 4.081 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](c1cccnc1)C(C)C ZINC000595015083 1035507273 /nfs/dbraw/zinc/50/72/73/1035507273.db2.gz WYZLRUPBJYIRBQ-RDTXWAMCSA-N 1 0 343.427 4.089 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000595022601 1035510735 /nfs/dbraw/zinc/51/07/35/1035510735.db2.gz OCHUEWYHXRJTEZ-CABCVRRESA-N 1 0 348.443 4.136 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cc3cnccc3o2)cc1[N+](=O)[O-] ZINC000595030244 1035559839 /nfs/dbraw/zinc/55/98/39/1035559839.db2.gz ZQAXFPGMQFNVAD-QWHCGFSZSA-N 1 0 325.368 4.456 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000595040397 1035563993 /nfs/dbraw/zinc/56/39/93/1035563993.db2.gz VMMHMGQEAHOYTA-VXGBXAGGSA-N 1 0 328.359 4.080 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000595039945 1035565525 /nfs/dbraw/zinc/56/55/25/1035565525.db2.gz IHTGIOADSNHSPT-MFKMUULPSA-N 1 0 334.338 4.231 20 5 EIBDRO C[C@@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000595047671 1035568581 /nfs/dbraw/zinc/56/85/81/1035568581.db2.gz DZRZDKDDYHMZAW-IFXJQAMLSA-N 1 0 325.412 4.151 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000595097606 1035606466 /nfs/dbraw/zinc/60/64/66/1035606466.db2.gz ZSFLFMOGAJCUCV-CWFSZBLJSA-N 1 0 342.439 4.312 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccc(OC(F)F)c2)C2CC2)cc1 ZINC000490830719 1035676341 /nfs/dbraw/zinc/67/63/41/1035676341.db2.gz XDUMDNDFBLJAGB-UHFFFAOYSA-N 1 0 348.349 4.361 20 5 EIBDRO Cc1noc(C[N@@H+](C)[C@@H]2CCCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595548487 1035702019 /nfs/dbraw/zinc/70/20/19/1035702019.db2.gz SNUMZCUFWUORBN-JKSUJKDBSA-N 1 0 329.400 4.049 20 5 EIBDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491050209 1035792467 /nfs/dbraw/zinc/79/24/67/1035792467.db2.gz GZXUAQCZSXGTHL-UZLBHIALSA-N 1 0 341.455 4.004 20 5 EIBDRO CC(C)(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC(F)(F)F ZINC000596098037 1035817849 /nfs/dbraw/zinc/81/78/49/1035817849.db2.gz QFYQOGRLEJZRQQ-AWEZNQCLSA-N 1 0 344.377 4.484 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(C2CCCC2)c1 ZINC000502367397 1036142826 /nfs/dbraw/zinc/14/28/26/1036142826.db2.gz REWWGIHUMZEWNZ-KBPBESRZSA-N 1 0 328.416 4.318 20 5 EIBDRO Cc1ccc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000485727973 1036211519 /nfs/dbraw/zinc/21/15/19/1036211519.db2.gz YLQIMTXGINKEJH-OAHLLOKOSA-N 1 0 338.329 4.339 20 5 EIBDRO CC[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000588232542 1036305067 /nfs/dbraw/zinc/30/50/67/1036305067.db2.gz MOYCKKCSJCFPFJ-MAUKXSAKSA-N 1 0 348.830 4.065 20 5 EIBDRO C[NH+](C)[C@@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000589102700 1036653547 /nfs/dbraw/zinc/65/35/47/1036653547.db2.gz HHXPIHIXEYJDAJ-INIZCTEOSA-N 1 0 335.354 4.247 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000602904861 1036670064 /nfs/dbraw/zinc/67/00/64/1036670064.db2.gz PWVMVOHJTLQTFB-ZDUSSCGKSA-N 1 0 329.375 4.070 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC4(CCC4)CC3)cs2)c1 ZINC000589188169 1036699543 /nfs/dbraw/zinc/69/95/43/1036699543.db2.gz DJJYWQNOJDULHT-UHFFFAOYSA-N 1 0 343.452 4.484 20 5 EIBDRO COc1cccc(C2(C[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000589319602 1036745886 /nfs/dbraw/zinc/74/58/86/1036745886.db2.gz IRURHIUJYJIYEF-UHFFFAOYSA-N 1 0 346.814 4.078 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@@H]2CCCOC2)s1 ZINC000598984848 1036843172 /nfs/dbraw/zinc/84/31/72/1036843172.db2.gz DKNBXANUPGUPJA-AWEZNQCLSA-N 1 0 346.452 4.230 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2csc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000599009491 1036844847 /nfs/dbraw/zinc/84/48/47/1036844847.db2.gz YMJSORRFVGDJKB-UHFFFAOYSA-N 1 0 330.331 4.273 20 5 EIBDRO CC(C)CC[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486802982 1036863493 /nfs/dbraw/zinc/86/34/93/1036863493.db2.gz PPIZWXKQUCSKNT-OAHLLOKOSA-N 1 0 344.415 4.045 20 5 EIBDRO CCC(F)(F)C(C)(C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000599080792 1036873533 /nfs/dbraw/zinc/87/35/33/1036873533.db2.gz PYDKVRKLWXBXOQ-LLVKDONJSA-N 1 0 330.375 4.326 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](c1ccc(OC)nc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000599096637 1036876793 /nfs/dbraw/zinc/87/67/93/1036876793.db2.gz USFYKYCQYRWAKM-IEBWSBKVSA-N 1 0 341.411 4.190 20 5 EIBDRO COc1ccc([C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C2CC2)cn1 ZINC000599095581 1036876843 /nfs/dbraw/zinc/87/68/43/1036876843.db2.gz HPCKOZONCIXXCZ-BFUOFWGJSA-N 1 0 341.411 4.109 20 5 EIBDRO CCC[N@H+](Cc1ccc(C)cc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000603838309 1037021461 /nfs/dbraw/zinc/02/14/61/1037021461.db2.gz CVZBQNNACFMKMX-UHFFFAOYSA-N 1 0 328.412 4.324 20 5 EIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000603840450 1037056767 /nfs/dbraw/zinc/05/67/67/1037056767.db2.gz DZKIBMJDEIMIBA-MRXNPFEDSA-N 1 0 346.814 4.464 20 5 EIBDRO C[NH+](C)[C@@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])c1ccsc1 ZINC000590570843 1037108083 /nfs/dbraw/zinc/10/80/83/1037108083.db2.gz FNQAZFNVPVJJRK-AWEZNQCLSA-N 1 0 341.383 4.309 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000604080759 1037185034 /nfs/dbraw/zinc/18/50/34/1037185034.db2.gz CRFBUNASDTYIAZ-HNNXBMFYSA-N 1 0 328.412 4.413 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC3(CCC3)C1)CCCC2 ZINC000591348170 1037390931 /nfs/dbraw/zinc/39/09/31/1037390931.db2.gz BKNWQFIINHPOPE-CRAIPNDOSA-N 1 0 330.428 4.054 20 5 EIBDRO Cc1ccc([C@H](CNc2ccsc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000604508558 1037418760 /nfs/dbraw/zinc/41/87/60/1037418760.db2.gz KJHRHHAUDOBPEV-INIZCTEOSA-N 1 0 331.441 4.214 20 5 EIBDRO COc1ccccc1C1([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000592393121 1037783382 /nfs/dbraw/zinc/78/33/82/1037783382.db2.gz FAPVRKBPHBMCRP-GOSISDBHSA-N 1 0 338.407 4.260 20 5 EIBDRO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCC[C@H]1C ZINC000249397312 1037795800 /nfs/dbraw/zinc/79/58/00/1037795800.db2.gz RYZGCZHFJPZFCR-CJNGLKHVSA-N 1 0 344.415 4.045 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000503936592 1038022715 /nfs/dbraw/zinc/02/27/15/1038022715.db2.gz HSMWARJPQVMBJU-QLFBSQMISA-N 1 0 340.370 4.067 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc3c2CCCN3)cc1[N+](=O)[O-] ZINC000423416521 1038222553 /nfs/dbraw/zinc/22/25/53/1038222553.db2.gz QVPBKLGZNYFIPX-AWEZNQCLSA-N 1 0 325.412 4.112 20 5 EIBDRO Cc1c([C@H](C)[NH2+]Cc2cccc3c2CCCN3)cccc1[N+](=O)[O-] ZINC000423416484 1038223343 /nfs/dbraw/zinc/22/33/43/1038223343.db2.gz QQRTUEZDTJWGQF-AWEZNQCLSA-N 1 0 325.412 4.112 20 5 EIBDRO C[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1cccc([N+](=O)[O-])c1 ZINC000423429319 1038234431 /nfs/dbraw/zinc/23/44/31/1038234431.db2.gz SJYJTVXBPDDXLF-SJCJKPOMSA-N 1 0 341.411 4.130 20 5 EIBDRO COc1ccccc1[C@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000490034219 1038309802 /nfs/dbraw/zinc/30/98/02/1038309802.db2.gz UQIDPZIJPIELFS-CVEARBPZSA-N 1 0 340.423 4.462 20 5 EIBDRO CC(C)[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cccnc1 ZINC000594496824 1038347398 /nfs/dbraw/zinc/34/73/98/1038347398.db2.gz XCMNPOPHDVXLIJ-QZTJIDSGSA-N 1 0 325.412 4.007 20 5 EIBDRO C[C@]1(CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1(F)F ZINC000594977284 1038485686 /nfs/dbraw/zinc/48/56/86/1038485686.db2.gz JDBWFILYQOJGRQ-INIZCTEOSA-N 1 0 336.338 4.380 20 5 EIBDRO CC(=O)c1ccc(NC2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000080247986 1038809622 /nfs/dbraw/zinc/80/96/22/1038809622.db2.gz LYQHDUVWIXRNIH-UHFFFAOYSA-N 1 0 345.443 4.006 20 5 EIBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000539083393 1038814843 /nfs/dbraw/zinc/81/48/43/1038814843.db2.gz IDQAEMJPHGTIIO-PXAZEXFGSA-N 1 0 334.803 4.287 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]CCOc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000504906003 1038845574 /nfs/dbraw/zinc/84/55/74/1038845574.db2.gz RGZMBQIIFLAWEJ-OAHLLOKOSA-N 1 0 344.411 4.032 20 5 EIBDRO Cc1ccc(C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C(C)C)s1 ZINC000065162299 1038895325 /nfs/dbraw/zinc/89/53/25/1038895325.db2.gz VJLXZVGSNBBZDU-UHFFFAOYSA-N 1 0 334.441 4.254 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000539269088 1038902222 /nfs/dbraw/zinc/90/22/22/1038902222.db2.gz QSBTUSWQFUUGNX-KBPBESRZSA-N 1 0 344.411 4.414 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000237934669 1039044095 /nfs/dbraw/zinc/04/40/95/1039044095.db2.gz CWUADHWSFNYCKG-FQEVSTJZSA-N 1 0 340.423 4.169 20 5 EIBDRO C[N@@H+]1CC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000534270575 1039282444 /nfs/dbraw/zinc/28/24/44/1039282444.db2.gz BFTGSCCJZZWCRJ-MOPGFXCFSA-N 1 0 348.406 4.000 20 5 EIBDRO COCCC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000600187664 1039350724 /nfs/dbraw/zinc/35/07/24/1039350724.db2.gz GEVAIBCLHNEWBG-UHFFFAOYSA-N 1 0 344.411 4.103 20 5 EIBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000478051595 1039373108 /nfs/dbraw/zinc/37/31/08/1039373108.db2.gz BVGXBLDWRNOIGP-MRXNPFEDSA-N 1 0 348.834 4.062 20 5 EIBDRO COC[C@@H](C)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000481425546 1039396233 /nfs/dbraw/zinc/39/62/33/1039396233.db2.gz PFWJHELEJMEBPV-QWHCGFSZSA-N 1 0 334.441 4.256 20 5 EIBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2cccnc21 ZINC000481416568 1039404626 /nfs/dbraw/zinc/40/46/26/1039404626.db2.gz PWSJHUPFLNVUFT-SFHVURJKSA-N 1 0 325.412 4.279 20 5 EIBDRO COc1ccc(OCCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000481572094 1039588399 /nfs/dbraw/zinc/58/83/99/1039588399.db2.gz MTLKQPHFOYGGMY-OAHLLOKOSA-N 1 0 344.411 4.032 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCOCC3CC3)s2)cc1 ZINC000237988530 1039775177 /nfs/dbraw/zinc/77/51/77/1039775177.db2.gz CBMZZZCVXNPCLG-UHFFFAOYSA-N 1 0 346.452 4.230 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)CCC2 ZINC000192607354 1039804645 /nfs/dbraw/zinc/80/46/45/1039804645.db2.gz DEAUJVPBKVICPU-QGZVFWFLSA-N 1 0 348.349 4.363 20 5 EIBDRO CC[C@@H]([NH2+]CCCc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000505493196 1039840032 /nfs/dbraw/zinc/84/00/32/1039840032.db2.gz BJUSAJQTZASSMK-GOSISDBHSA-N 1 0 328.412 4.277 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CC(F)(c3cccc(Cl)c3)C2)cc1 ZINC000481823354 1039849481 /nfs/dbraw/zinc/84/94/81/1039849481.db2.gz JTHIDPRASULXCN-UHFFFAOYSA-N 1 0 334.778 4.365 20 5 EIBDRO COc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000481958555 1039913958 /nfs/dbraw/zinc/91/39/58/1039913958.db2.gz SOJBKODKPHEUST-HUUCEWRRSA-N 1 0 328.412 4.275 20 5 EIBDRO COc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1C ZINC000535072217 1039940305 /nfs/dbraw/zinc/94/03/05/1039940305.db2.gz KAKBCKSBCPMRKL-UHFFFAOYSA-N 1 0 326.396 4.076 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCCO1 ZINC000535192118 1040033696 /nfs/dbraw/zinc/03/36/96/1040033696.db2.gz PQSJKZIYAQTPGL-DLBZAZTESA-N 1 0 346.452 4.371 20 5 EIBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000482497108 1040293724 /nfs/dbraw/zinc/29/37/24/1040293724.db2.gz YMCYORPMORZZDG-LRDDRELGSA-N 1 0 331.441 4.339 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(OC(C)C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000160076235 1040340236 /nfs/dbraw/zinc/34/02/36/1040340236.db2.gz UDQPTRGHANNFMY-KRWDZBQOSA-N 1 0 329.400 4.018 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3nccs3)s2)cc1 ZINC000171052058 1040376754 /nfs/dbraw/zinc/37/67/54/1040376754.db2.gz JKJAHVNGYRNNGP-UHFFFAOYSA-N 1 0 345.449 4.112 20 5 EIBDRO C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482894913 1040557311 /nfs/dbraw/zinc/55/73/11/1040557311.db2.gz XRFQXAXZDRIJRE-XIKOKIGWSA-N 1 0 346.452 4.135 20 5 EIBDRO C[C@@H](NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000482955519 1040602952 /nfs/dbraw/zinc/60/29/52/1040602952.db2.gz ZZAYZEOSRTVQAB-CVEARBPZSA-N 1 0 341.455 4.375 20 5 EIBDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000192789273 1040661409 /nfs/dbraw/zinc/66/14/09/1040661409.db2.gz RPHMXXZBRRTGKN-KGLIPLIRSA-N 1 0 344.411 4.332 20 5 EIBDRO CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000515365267 1040701895 /nfs/dbraw/zinc/70/18/95/1040701895.db2.gz PZCOUWVVPUPXGS-KVSKMBFKSA-N 1 0 332.444 4.156 20 5 EIBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC(C)(C)C1 ZINC000483114249 1040710234 /nfs/dbraw/zinc/71/02/34/1040710234.db2.gz WIHZIIWYGVYUNT-MRXNPFEDSA-N 1 0 329.400 4.260 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000483165068 1040751450 /nfs/dbraw/zinc/75/14/50/1040751450.db2.gz BEGGDRSAHYLORG-YOEHRIQHSA-N 1 0 343.402 4.054 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(CSC)cc1 ZINC000595038008 1040780643 /nfs/dbraw/zinc/78/06/43/1040780643.db2.gz BTPWAPIOYJQFIG-CYBMUJFWSA-N 1 0 346.452 4.317 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2)c1 ZINC000462727438 1040862384 /nfs/dbraw/zinc/86/23/84/1040862384.db2.gz VVQXHVVELRFRBU-HNNXBMFYSA-N 1 0 345.830 4.007 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)Sc1ccccc1 ZINC000462740966 1040887066 /nfs/dbraw/zinc/88/70/66/1040887066.db2.gz KLCXTMSTUBVUQU-AWEZNQCLSA-N 1 0 346.452 4.264 20 5 EIBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000537950587 1040917211 /nfs/dbraw/zinc/91/72/11/1040917211.db2.gz DULKCYIGGVHECC-LBPRGKRZSA-N 1 0 336.338 4.090 20 5 EIBDRO COc1ccc([C@H](C)CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000483761627 1041002597 /nfs/dbraw/zinc/00/25/97/1041002597.db2.gz XXUCXAVHYDNTGU-CABCVRRESA-N 1 0 328.412 4.448 20 5 EIBDRO C[C@@H]([NH2+]CCCO[C@@H](C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000480172533 1041033372 /nfs/dbraw/zinc/03/33/72/1041033372.db2.gz NJEJOSQIJWCCEM-CVEARBPZSA-N 1 0 328.412 4.413 20 5 EIBDRO CC(C)([NH2+]Cc1cc2c(cccc2F)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000436286603 1041033716 /nfs/dbraw/zinc/03/37/16/1041033716.db2.gz BNVVRCRWPTUADM-UHFFFAOYSA-N 1 0 327.359 4.240 20 5 EIBDRO CC(C)[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCOC1 ZINC000462878067 1041059101 /nfs/dbraw/zinc/05/91/01/1041059101.db2.gz QIDSZRYPWWSXTO-MRXNPFEDSA-N 1 0 346.452 4.323 20 5 EIBDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000538126759 1041083941 /nfs/dbraw/zinc/08/39/41/1041083941.db2.gz YQTWFPROQFOVCY-HNNXBMFYSA-N 1 0 328.412 4.275 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1cc(OC)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000480268441 1041138711 /nfs/dbraw/zinc/13/87/11/1041138711.db2.gz UMVVAJVBZRCPPG-GOSISDBHSA-N 1 0 344.411 4.243 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000540136521 1041179896 /nfs/dbraw/zinc/17/98/96/1041179896.db2.gz PGWXLMSLBUEKTC-KNBMTAEXSA-N 1 0 340.423 4.332 20 5 EIBDRO CCC[C@@H]([NH2+][C@@H]1COc2ccc(C)cc21)c1cccc([N+](=O)[O-])c1 ZINC000540158506 1041187180 /nfs/dbraw/zinc/18/71/80/1041187180.db2.gz MHIPAKKNJIIAMJ-QZTJIDSGSA-N 1 0 326.396 4.468 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000484310117 1041205593 /nfs/dbraw/zinc/20/55/93/1041205593.db2.gz PHQXAQLSBFEEPK-CZUORRHYSA-N 1 0 345.830 4.178 20 5 EIBDRO C[C@H]([NH2+]C[C@@H]1SCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000484483327 1041253485 /nfs/dbraw/zinc/25/34/85/1041253485.db2.gz GINVSTWHDZEHSZ-UGSOOPFHSA-N 1 0 328.437 4.276 20 5 EIBDRO Cc1cc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000463071161 1041315577 /nfs/dbraw/zinc/31/55/77/1041315577.db2.gz VXGZXICIGNUXMF-QGZVFWFLSA-N 1 0 339.439 4.004 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000538460113 1041364032 /nfs/dbraw/zinc/36/40/32/1041364032.db2.gz SWEIXGIQYIVURR-XJKSGUPXSA-N 1 0 345.830 4.178 20 5 EIBDRO C[C@H](Nc1cccc(CC[N@H+](C)C2CC2)c1)c1ccccc1[N+](=O)[O-] ZINC000540337974 1041381158 /nfs/dbraw/zinc/38/11/58/1041381158.db2.gz NKPMZZNOWKBXOQ-HNNXBMFYSA-N 1 0 339.439 4.405 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505861281 1041425724 /nfs/dbraw/zinc/42/57/24/1041425724.db2.gz CHCRBDYMLUBPEL-CVEARBPZSA-N 1 0 326.396 4.057 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 ZINC000540394498 1041428486 /nfs/dbraw/zinc/42/84/86/1041428486.db2.gz UCZNYMVNPZBVLU-ZIAGYGMSSA-N 1 0 342.395 4.168 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cc(C[NH+](C)C)ccc1C ZINC000470169666 1041429780 /nfs/dbraw/zinc/42/97/80/1041429780.db2.gz HGCZDDZSOPOWJA-GDNBJRDFSA-N 1 0 339.439 4.480 20 5 EIBDRO Cc1c(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000554845544 1041443842 /nfs/dbraw/zinc/44/38/42/1041443842.db2.gz BISHBVHRYHADKO-HNNXBMFYSA-N 1 0 342.361 4.458 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000554846065 1041445447 /nfs/dbraw/zinc/44/54/47/1041445447.db2.gz JLOCUNUTMHACGC-AWEZNQCLSA-N 1 0 328.334 4.149 20 5 EIBDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)OC ZINC000516217105 1041467162 /nfs/dbraw/zinc/46/71/62/1041467162.db2.gz CODWUYXQGPAZPN-STQMWFEESA-N 1 0 334.441 4.399 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505880240 1041475620 /nfs/dbraw/zinc/47/56/20/1041475620.db2.gz RLNRIGYVHQZZCO-JKSUJKDBSA-N 1 0 326.396 4.057 20 5 EIBDRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000538726798 1041498683 /nfs/dbraw/zinc/49/86/83/1041498683.db2.gz YJQCWHAHASNPTR-CABCVRRESA-N 1 0 342.443 4.006 20 5 EIBDRO COCCC1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000480743090 1041515292 /nfs/dbraw/zinc/51/52/92/1041515292.db2.gz YQAVVPCYGLYYCW-QGZVFWFLSA-N 1 0 348.487 4.493 20 5 EIBDRO CCC[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000538752064 1041528449 /nfs/dbraw/zinc/52/84/49/1041528449.db2.gz GNLYGXDRXRIFOW-OAHLLOKOSA-N 1 0 342.443 4.007 20 5 EIBDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000463715401 1041715085 /nfs/dbraw/zinc/71/50/85/1041715085.db2.gz NTFOWJQCSVYCHW-JTQLQIEISA-N 1 0 328.290 4.285 20 5 EIBDRO CCC[C@H](N[C@H](c1ccccc1F)[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000517035864 1041844588 /nfs/dbraw/zinc/84/45/88/1041844588.db2.gz RJYOVNOQTVDPRV-VMDGZTHMSA-N 1 0 346.402 4.287 20 5 EIBDRO C[C@H]([NH2+]CC[C@H]1CCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000541557314 1042013084 /nfs/dbraw/zinc/01/30/84/1042013084.db2.gz DMOUOXQMZZYLOX-KBPBESRZSA-N 1 0 346.452 4.401 20 5 EIBDRO COc1cc(C[NH2+]C2(c3ccccc3)CCCC2)c([N+](=O)[O-])cc1F ZINC000464494343 1042049145 /nfs/dbraw/zinc/04/91/45/1042049145.db2.gz AWTAWTUHODTKQV-UHFFFAOYSA-N 1 0 344.386 4.302 20 5 EIBDRO CC(C)c1ccc(C[NH2+]CCOc2ccccc2F)cc1[N+](=O)[O-] ZINC000517542257 1042065377 /nfs/dbraw/zinc/06/53/77/1042065377.db2.gz YMISEECOQHXVJR-UHFFFAOYSA-N 1 0 332.375 4.026 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3ccco3)s2)cc1 ZINC000517542713 1042066299 /nfs/dbraw/zinc/06/62/99/1042066299.db2.gz JRKYCQSRXBQBSD-UHFFFAOYSA-N 1 0 328.393 4.249 20 5 EIBDRO COc1cccc(F)c1[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000122461547 1042076902 /nfs/dbraw/zinc/07/69/02/1042076902.db2.gz VYLXXKLWSJYBGM-CHWSQXEVSA-N 1 0 332.375 4.463 20 5 EIBDRO CCC[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000541743560 1042091845 /nfs/dbraw/zinc/09/18/45/1042091845.db2.gz KXUKBOZCCVEGKR-LJQANCHMSA-N 1 0 327.428 4.444 20 5 EIBDRO Cc1c(C[NH2+][C@@H](C)c2ccccc2OC(F)F)cccc1[N+](=O)[O-] ZINC000271632351 1042109125 /nfs/dbraw/zinc/10/91/25/1042109125.db2.gz BMESAFHYHSOYFK-LBPRGKRZSA-N 1 0 336.338 4.355 20 5 EIBDRO COc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C2CC2)cc1 ZINC000541771126 1042109714 /nfs/dbraw/zinc/10/97/14/1042109714.db2.gz MVOQKEULZSAKRY-UHFFFAOYSA-N 1 0 326.396 4.076 20 5 EIBDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000464769629 1042149039 /nfs/dbraw/zinc/14/90/39/1042149039.db2.gz IJWFSTUJIRNXCK-UONOGXRCSA-N 1 0 328.865 4.354 20 5 EIBDRO COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1F ZINC000090217416 1042184084 /nfs/dbraw/zinc/18/40/84/1042184084.db2.gz FEPAXHIXGDREJW-OLZOCXBDSA-N 1 0 332.375 4.463 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000090217391 1042184428 /nfs/dbraw/zinc/18/44/28/1042184428.db2.gz UYOXOCMREOKYSK-HUUCEWRRSA-N 1 0 327.428 4.381 20 5 EIBDRO CC(C)c1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000506327643 1042311488 /nfs/dbraw/zinc/31/14/88/1042311488.db2.gz QLFICDDCFBZXLY-UHFFFAOYSA-N 1 0 345.487 4.169 20 5 EIBDRO CC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000506343664 1042337860 /nfs/dbraw/zinc/33/78/60/1042337860.db2.gz TZUIIBCKLXDDKN-UHFFFAOYSA-N 1 0 339.189 4.069 20 5 EIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000542320318 1042386930 /nfs/dbraw/zinc/38/69/30/1042386930.db2.gz GBCBAMHJYRXUEL-JSGCOSHPSA-N 1 0 344.415 4.074 20 5 EIBDRO COCC(C)(C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000491421098 1042448611 /nfs/dbraw/zinc/44/86/11/1042448611.db2.gz YZQYNURQNAKIBT-UHFFFAOYSA-N 1 0 334.441 4.086 20 5 EIBDRO COc1cc(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000549926973 1042492160 /nfs/dbraw/zinc/49/21/60/1042492160.db2.gz HOENQJBKOFFLND-GQCTYLIASA-N 1 0 346.814 4.102 20 5 EIBDRO CC(C)([NH2+]Cc1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] ZINC000492047861 1042539411 /nfs/dbraw/zinc/53/94/11/1042539411.db2.gz PIDFWTBCNLXWLN-UHFFFAOYSA-N 1 0 349.228 4.382 20 5 EIBDRO CC(C)([NH2+]Cc1ccc(OCC2CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000492047808 1042539465 /nfs/dbraw/zinc/53/94/65/1042539465.db2.gz PFWVFWVADXRHFC-UHFFFAOYSA-N 1 0 340.423 4.409 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000426307463 1042547089 /nfs/dbraw/zinc/54/70/89/1042547089.db2.gz REAZJCOSJKKMKU-QAPCUYQASA-N 1 0 343.402 4.054 20 5 EIBDRO CCC(CC)[C@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000492102528 1042556757 /nfs/dbraw/zinc/55/67/57/1042556757.db2.gz ZMURCOJWYUWPHD-UXHICEINSA-N 1 0 342.439 4.071 20 5 EIBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCS1 ZINC000426379224 1042616556 /nfs/dbraw/zinc/61/65/56/1042616556.db2.gz IUUPBQOOPOOQIN-CYBMUJFWSA-N 1 0 332.425 4.182 20 5 EIBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)Cc1ccsc1 ZINC000426478700 1042756057 /nfs/dbraw/zinc/75/60/57/1042756057.db2.gz FEBQFQDVTDYCIE-ZDUSSCGKSA-N 1 0 334.441 4.118 20 5 EIBDRO CC(C)(C)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493229418 1042851841 /nfs/dbraw/zinc/85/18/41/1042851841.db2.gz NMPCUHMTTCFQMD-MOPGFXCFSA-N 1 0 342.439 4.071 20 5 EIBDRO CC(C)(C)C[C@H](O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493229420 1042851853 /nfs/dbraw/zinc/85/18/53/1042851853.db2.gz NMPCUHMTTCFQMD-RBUKOAKNSA-N 1 0 342.439 4.071 20 5 EIBDRO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)ccc1Cl ZINC000761532888 1042877009 /nfs/dbraw/zinc/87/70/09/1042877009.db2.gz HJXJLFGQYUAYGL-UHFFFAOYSA-N 1 0 325.195 4.500 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000441534239 1042878258 /nfs/dbraw/zinc/87/82/58/1042878258.db2.gz KBKTWYAZQKWNGV-QZTJIDSGSA-N 1 0 345.487 4.100 20 5 EIBDRO CCOC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000473997330 1042912346 /nfs/dbraw/zinc/91/23/46/1042912346.db2.gz VMNLJRAWADULIP-KRWDZBQOSA-N 1 0 332.400 4.006 20 5 EIBDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000441653930 1042958370 /nfs/dbraw/zinc/95/83/70/1042958370.db2.gz CHYXUFRKFPZVAD-KRWDZBQOSA-N 1 0 347.459 4.132 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](c2cccnc2)C2CCC2)c1 ZINC000280836744 1042967088 /nfs/dbraw/zinc/96/70/88/1042967088.db2.gz LOACUJRFTUAROT-KRWDZBQOSA-N 1 0 331.803 4.274 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@@H](O)c1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000765955979 1043118297 /nfs/dbraw/zinc/11/82/97/1043118297.db2.gz XSLSICFKWTXKAA-RTBURBONSA-N 1 0 328.412 4.068 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000766038855 1043122376 /nfs/dbraw/zinc/12/23/76/1043122376.db2.gz RCQFWYUGCDGQCN-AUUYWEPGSA-N 1 0 342.439 4.277 20 5 EIBDRO C[C@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000766038861 1043140853 /nfs/dbraw/zinc/14/08/53/1043140853.db2.gz RCQFWYUGCDGQCN-LIRRHRJNSA-N 1 0 342.439 4.277 20 5 EIBDRO COc1ccc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCCC2)cc1 ZINC000131873670 1043156008 /nfs/dbraw/zinc/15/60/08/1043156008.db2.gz FDXFFBOEVHXTLY-UHFFFAOYSA-N 1 0 326.396 4.163 20 5 EIBDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000507905941 1043191981 /nfs/dbraw/zinc/19/19/81/1043191981.db2.gz UWJGIXGGAXFYGM-GXTWGEPZSA-N 1 0 330.359 4.272 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCOc3ccccc32)cc1[N+](=O)[O-] ZINC000133536695 1043273130 /nfs/dbraw/zinc/27/31/30/1043273130.db2.gz OOTPPXBAGDFKSW-WMLDXEAASA-N 1 0 326.396 4.468 20 5 EIBDRO CC1(C)CC[C@H](C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)O1 ZINC000427978123 1043285170 /nfs/dbraw/zinc/28/51/70/1043285170.db2.gz BHTJGOGBWQCWOB-RTBURBONSA-N 1 0 340.423 4.231 20 5 EIBDRO CCC[N@H+](C)C[C@@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000429199368 1043291215 /nfs/dbraw/zinc/29/12/15/1043291215.db2.gz BKPHWUDSWHSHEJ-NSHDSACASA-N 1 0 346.258 4.070 20 5 EIBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000428075588 1043318294 /nfs/dbraw/zinc/31/82/94/1043318294.db2.gz ZUTCONMFTGCLPR-QGZVFWFLSA-N 1 0 346.452 4.059 20 5 EIBDRO Cc1c(C[NH+]2CCC(c3ncccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000429214042 1043349363 /nfs/dbraw/zinc/34/93/63/1043349363.db2.gz LLCBWEVDJHAQAT-UHFFFAOYSA-N 1 0 345.830 4.331 20 5 EIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000730062419 1043438719 /nfs/dbraw/zinc/43/87/19/1043438719.db2.gz OGZXKNOJMSNNCJ-MRXNPFEDSA-N 1 0 328.387 4.189 20 5 EIBDRO C[C@@H]([N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)(C)C ZINC000609193920 1043445318 /nfs/dbraw/zinc/44/53/18/1043445318.db2.gz HGHHQVLTOUURNV-CYBMUJFWSA-N 1 0 331.416 4.159 20 5 EIBDRO C[C@@H]1CCC[N@H+](CCCCNc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000731206208 1043716853 /nfs/dbraw/zinc/71/68/53/1043716853.db2.gz BHMOZBBXSUTFNB-CYBMUJFWSA-N 1 0 348.472 4.129 20 5 EIBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000521347752 1043722451 /nfs/dbraw/zinc/72/24/51/1043722451.db2.gz HFHDOGZSCKHWEX-OLMNPRSZSA-N 1 0 332.444 4.156 20 5 EIBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000521347750 1043723569 /nfs/dbraw/zinc/72/35/69/1043723569.db2.gz HFHDOGZSCKHWEX-JLSDUUJJSA-N 1 0 332.444 4.156 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-n2ccnc2)cc1 ZINC000172855227 1043829600 /nfs/dbraw/zinc/82/96/00/1043829600.db2.gz FXDZFCBBFVHZQY-HUUCEWRRSA-N 1 0 336.395 4.192 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)cc1 ZINC000442862218 1043865687 /nfs/dbraw/zinc/86/56/87/1043865687.db2.gz FKHGNPBPJLDJAF-INIZCTEOSA-N 1 0 349.434 4.156 20 5 EIBDRO O=C(C[NH2+]Cc1c2ccccc2cc2ccccc21)NC1CCCC1 ZINC000732230515 1043888812 /nfs/dbraw/zinc/88/88/12/1043888812.db2.gz JXAMTTUVFPHVRW-UHFFFAOYSA-N 1 0 332.447 4.141 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173456627 1043975898 /nfs/dbraw/zinc/97/58/98/1043975898.db2.gz CXPPIQXTTVQUFQ-LSDHHAIUSA-N 1 0 336.395 4.192 20 5 EIBDRO COC[C@](C)(O)C[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC000732672329 1043980986 /nfs/dbraw/zinc/98/09/86/1043980986.db2.gz GSSNIUBGSUPDLC-HXUWFJFHSA-N 1 0 343.854 4.133 20 5 EIBDRO CCC[N@H+](Cc1ccc(F)cc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000521823200 1044013096 /nfs/dbraw/zinc/01/30/96/1044013096.db2.gz MPNUOZSSEZSLRH-UHFFFAOYSA-N 1 0 332.375 4.155 20 5 EIBDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000732979041 1044056185 /nfs/dbraw/zinc/05/61/85/1044056185.db2.gz CJGBZLZDCJTUPM-IBGZPJMESA-N 1 0 338.411 4.231 20 5 EIBDRO C[C@@H](Cc1ccco1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000733323974 1044187952 /nfs/dbraw/zinc/18/79/52/1044187952.db2.gz BHBRLQVUONVPKW-LBPRGKRZSA-N 1 0 343.408 4.032 20 5 EIBDRO Cc1ccc([C@@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cc1 ZINC000543245637 1044232917 /nfs/dbraw/zinc/23/29/17/1044232917.db2.gz DSSUDNYHYIVURM-OAHLLOKOSA-N 1 0 337.379 4.034 20 5 EIBDRO CCC[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000466476682 1044583098 /nfs/dbraw/zinc/58/30/98/1044583098.db2.gz YNHWDHLFZMOBJO-OAHLLOKOSA-N 1 0 343.427 4.304 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1C[NH+]1CCCC1 ZINC000474141379 1044655930 /nfs/dbraw/zinc/65/59/30/1044655930.db2.gz IMPQBQPHCWBFGK-UHFFFAOYSA-N 1 0 325.412 4.111 20 5 EIBDRO Cc1c(C[NH2+]Cc2cc(Br)cs2)cccc1[N+](=O)[O-] ZINC000070213133 1044665315 /nfs/dbraw/zinc/66/53/15/1044665315.db2.gz QUVXDAXTMXUXNR-UHFFFAOYSA-N 1 0 341.230 4.017 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+](CCCCO)C2CC2)s1 ZINC000093383156 1044835050 /nfs/dbraw/zinc/83/50/50/1044835050.db2.gz BNXJXFBMAMZIKB-UHFFFAOYSA-N 1 0 346.452 4.060 20 5 EIBDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000093419163 1044835630 /nfs/dbraw/zinc/83/56/30/1044835630.db2.gz YGYZLOCSEHNWHM-OAHLLOKOSA-N 1 0 344.411 4.103 20 5 EIBDRO CC[C@H](C)[NH+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000914868986 1044840604 /nfs/dbraw/zinc/84/06/04/1044840604.db2.gz TWWRUWXQMVPBTD-AWEZNQCLSA-N 1 0 343.383 4.304 20 5 EIBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000766154108 1044883622 /nfs/dbraw/zinc/88/36/22/1044883622.db2.gz IPMBIUXXCWPHNO-OAHLLOKOSA-N 1 0 331.460 4.122 20 5 EIBDRO CCC[NH+]1CCC(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000495352838 1044897457 /nfs/dbraw/zinc/89/74/57/1044897457.db2.gz GTVWQJXGKFNXRT-UHFFFAOYSA-N 1 0 345.365 4.148 20 5 EIBDRO CC(C)c1ccc(C[N@H+](C)CCc2ccccc2O)cc1[N+](=O)[O-] ZINC000544364982 1044988205 /nfs/dbraw/zinc/98/82/05/1044988205.db2.gz DJBLDJOSAPOIPR-UHFFFAOYSA-N 1 0 328.412 4.098 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000922846424 1044992473 /nfs/dbraw/zinc/99/24/73/1044992473.db2.gz UWPJXCHYZLGHPE-ZDUSSCGKSA-N 1 0 326.849 4.156 20 5 EIBDRO C[N@H+](CCC1CCOCC1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000129664883 1045002880 /nfs/dbraw/zinc/00/28/80/1045002880.db2.gz FTANXBHMAFZVKN-UHFFFAOYSA-N 1 0 344.411 4.103 20 5 EIBDRO COc1ccc(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000466720090 1045085175 /nfs/dbraw/zinc/08/51/75/1045085175.db2.gz ZCLNJSODFJMFOI-UHFFFAOYSA-N 1 0 340.423 4.026 20 5 EIBDRO Cc1nc(C)c([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000495420299 1045090161 /nfs/dbraw/zinc/09/01/61/1045090161.db2.gz GUDGARKYGRUAQP-SECBINFHSA-N 1 0 339.848 4.215 20 5 EIBDRO CCOc1cccc(NC2CC[NH+](CC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000302204065 1045167533 /nfs/dbraw/zinc/16/75/33/1045167533.db2.gz CJHPSUIMYNAZAO-UHFFFAOYSA-N 1 0 347.459 4.060 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(F)(F)C1 ZINC000611475688 1045315457 /nfs/dbraw/zinc/31/54/57/1045315457.db2.gz ABMLGSACFMTIRU-VXGBXAGGSA-N 1 0 330.400 4.243 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC(F)(F)C1 ZINC000611475687 1045316289 /nfs/dbraw/zinc/31/62/89/1045316289.db2.gz ABMLGSACFMTIRU-RYUDHWBXSA-N 1 0 330.400 4.243 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3Cc4ccccc43)o2)c1 ZINC000609222500 1045416293 /nfs/dbraw/zinc/41/62/93/1045416293.db2.gz QDAFMSYGPXRCIO-INIZCTEOSA-N 1 0 334.375 4.284 20 5 EIBDRO Cc1c(C[NH2+][C@@H]2CCOc3c(Cl)cccc32)cccc1[N+](=O)[O-] ZINC000790696020 1045560881 /nfs/dbraw/zinc/56/08/81/1045560881.db2.gz OSEXARBVBJEDLS-OAHLLOKOSA-N 1 0 332.787 4.170 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000153362080 1045713867 /nfs/dbraw/zinc/71/38/67/1045713867.db2.gz CSTJOHWTBBCSPZ-CQSZACIVSA-N 1 0 341.411 4.162 20 5 EIBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCOc2ccccc21 ZINC000768214496 1045753916 /nfs/dbraw/zinc/75/39/16/1045753916.db2.gz BPFVAYRWMZBPSC-ZDUSSCGKSA-N 1 0 346.814 4.246 20 5 EIBDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768549154 1045823107 /nfs/dbraw/zinc/82/31/07/1045823107.db2.gz RWQQPDRBFDXXPI-GFCCVEGCSA-N 1 0 334.803 4.017 20 5 EIBDRO CC(C)OC1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000090771533 1045831580 /nfs/dbraw/zinc/83/15/80/1045831580.db2.gz ALHIZCBGRNSQCR-ACBHZAAOSA-N 1 0 346.471 4.242 20 5 EIBDRO CSC[C@@H](CCO)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000237360631 1045921986 /nfs/dbraw/zinc/92/19/86/1045921986.db2.gz AHQKCDSVVURFAM-QGZVFWFLSA-N 1 0 325.477 4.197 20 5 EIBDRO CC[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000191852786 1045931492 /nfs/dbraw/zinc/93/14/92/1045931492.db2.gz LXXKNYBIHHUPGO-SXLOBPIMSA-N 1 0 340.423 4.413 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC001170295657 1045980044 /nfs/dbraw/zinc/98/00/44/1045980044.db2.gz DDZQEDGLNUTCRK-CYBMUJFWSA-N 1 0 348.830 4.020 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001170296971 1045981716 /nfs/dbraw/zinc/98/17/16/1045981716.db2.gz IXBMCZJWNXXUSR-GJZGRUSLSA-N 1 0 328.412 4.194 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC001170297403 1045982180 /nfs/dbraw/zinc/98/21/80/1045982180.db2.gz NRVXZSGEFJUXLO-SNVBAGLBSA-N 1 0 340.832 4.039 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]C2(c3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 ZINC001170304689 1045985009 /nfs/dbraw/zinc/98/50/09/1045985009.db2.gz FSQCUVXHLLBADF-OAHLLOKOSA-N 1 0 340.423 4.122 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCc3cc(C)ccc32)c([N+](=O)[O-])c1 ZINC001170304306 1045985090 /nfs/dbraw/zinc/98/50/90/1045985090.db2.gz BFZZDQRWEYYEPI-KUHUBIRLSA-N 1 0 340.423 4.120 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2ccccn2)s1 ZINC000067697123 1045991159 /nfs/dbraw/zinc/99/11/59/1045991159.db2.gz XAPJJTABBJXHIW-UHFFFAOYSA-N 1 0 325.393 4.008 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]C2(c3cccc(C)c3)CC2)c([N+](=O)[O-])c1 ZINC001170326028 1045999178 /nfs/dbraw/zinc/99/91/78/1045999178.db2.gz CLPFBQMPHLCFSM-HNNXBMFYSA-N 1 0 340.423 4.122 20 5 EIBDRO COc1ccc(C[C@H](C)[N@H+](C)Cc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001170341223 1046021355 /nfs/dbraw/zinc/02/13/55/1046021355.db2.gz HEHVZFKIWSHYAY-ZDUSSCGKSA-N 1 0 348.830 4.320 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CC=CCC3)o2)c([N+](=O)[O-])c1 ZINC000237440437 1046026292 /nfs/dbraw/zinc/02/62/92/1046026292.db2.gz AOIQXDMBDNITLW-CYBMUJFWSA-N 1 0 328.368 4.062 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCCCC3CCOCC3)C2)cc1 ZINC001170426056 1046148150 /nfs/dbraw/zinc/14/81/50/1046148150.db2.gz XFSPTVDWQVBRJI-IBGZPJMESA-N 1 0 346.471 4.371 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](O)c1ccccc1 ZINC000793242139 1046187756 /nfs/dbraw/zinc/18/77/56/1046187756.db2.gz PDMBIQDZGQATEP-SJLPKXTDSA-N 1 0 348.830 4.240 20 5 EIBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000536840666 1046814380 /nfs/dbraw/zinc/81/43/80/1046814380.db2.gz UEAIISVZXVOBKL-GFCCVEGCSA-N 1 0 336.338 4.090 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000536840198 1046815509 /nfs/dbraw/zinc/81/55/09/1046815509.db2.gz SIXXKSDXVVDYAX-YJYMSZOUSA-N 1 0 341.411 4.190 20 5 EIBDRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000536844933 1046818344 /nfs/dbraw/zinc/81/83/44/1046818344.db2.gz KMAQBTSVKJTTCH-CABCVRRESA-N 1 0 328.412 4.133 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000536849377 1046820840 /nfs/dbraw/zinc/82/08/40/1046820840.db2.gz BZJNVDCFQFUCBK-LPMFXHHGSA-N 1 0 346.402 4.469 20 5 EIBDRO CCOc1ccccc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000536865610 1046831048 /nfs/dbraw/zinc/83/10/48/1046831048.db2.gz VHEZCDBBORBCTD-OAHLLOKOSA-N 1 0 328.412 4.195 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1cccc(F)c1F)C1CC1 ZINC000536866219 1046832935 /nfs/dbraw/zinc/83/29/35/1046832935.db2.gz ZEIMXPHSAYXDKK-QGZVFWFLSA-N 1 0 346.377 4.026 20 5 EIBDRO CO[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000536874679 1046837527 /nfs/dbraw/zinc/83/75/27/1046837527.db2.gz FHFSZCVPACQBNG-SJKOYZFVSA-N 1 0 334.803 4.287 20 5 EIBDRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000536875221 1046838217 /nfs/dbraw/zinc/83/82/17/1046838217.db2.gz GIUPBQGQKLLOIF-RBSFLKMASA-N 1 0 328.412 4.446 20 5 EIBDRO C[C@@H]([NH2+]C1(C2CCC2)CCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459782029 1046882266 /nfs/dbraw/zinc/88/22/66/1046882266.db2.gz XBQOZCQLEVHFQV-GFCCVEGCSA-N 1 0 342.399 4.018 20 5 EIBDRO Cc1cc(N[C@@H]2C[N@@H+](C)Cc3ccccc32)c2cccc([N+](=O)[O-])c2n1 ZINC000537346800 1047137788 /nfs/dbraw/zinc/13/77/88/1047137788.db2.gz DDUJFDSOTBKONN-GOSISDBHSA-N 1 0 348.406 4.050 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788574417 1047236654 /nfs/dbraw/zinc/23/66/54/1047236654.db2.gz TUJPIVCAWIKKJM-SNVBAGLBSA-N 1 0 339.317 4.047 20 5 EIBDRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788593360 1047241334 /nfs/dbraw/zinc/24/13/34/1047241334.db2.gz XKNUZMXCYNXBOM-DQYPLSBCSA-N 1 0 344.411 4.012 20 5 EIBDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001170086828 1047242827 /nfs/dbraw/zinc/24/28/27/1047242827.db2.gz YGVYBKCNKCESCQ-MAUKXSAKSA-N 1 0 326.396 4.057 20 5 EIBDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001170086829 1047243813 /nfs/dbraw/zinc/24/38/13/1047243813.db2.gz YGVYBKCNKCESCQ-QAPCUYQASA-N 1 0 326.396 4.057 20 5 EIBDRO Cc1c(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)oc2ccccc12 ZINC000788603708 1047246241 /nfs/dbraw/zinc/24/62/41/1047246241.db2.gz GCRGOCBWARSMOZ-LBPRGKRZSA-N 1 0 325.368 4.082 20 5 EIBDRO CSCc1cc(F)ccc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788629899 1047255851 /nfs/dbraw/zinc/25/58/51/1047255851.db2.gz XRRLIKQAIOUPPY-LLVKDONJSA-N 1 0 349.431 4.030 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000788755781 1047288304 /nfs/dbraw/zinc/28/83/04/1047288304.db2.gz GZXPLUSWPTYYLP-RYUDHWBXSA-N 1 0 325.368 4.335 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788801707 1047305611 /nfs/dbraw/zinc/30/56/11/1047305611.db2.gz BRPYFTUEPWBMAO-DIFFPNOSSA-N 1 0 329.375 4.044 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000152560164 1047310959 /nfs/dbraw/zinc/31/09/59/1047310959.db2.gz GNADRHBWGFMWOF-GFCCVEGCSA-N 1 0 334.803 4.498 20 5 EIBDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000788825210 1047321299 /nfs/dbraw/zinc/32/12/99/1047321299.db2.gz WWUNILPGEDNAFP-XIKOKIGWSA-N 1 0 331.391 4.364 20 5 EIBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC001170096233 1047355580 /nfs/dbraw/zinc/35/55/80/1047355580.db2.gz VEQYOMLZYVTTKN-GHMZBOCLSA-N 1 0 341.249 4.272 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556057310 1047420292 /nfs/dbraw/zinc/42/02/92/1047420292.db2.gz BDCLPSJVDWJVSO-QSFXBCCZSA-N 1 0 339.439 4.081 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H]1CCc2ccccc21 ZINC000790052500 1047510177 /nfs/dbraw/zinc/51/01/77/1047510177.db2.gz GGOUSOIIYQWGGB-OAHLLOKOSA-N 1 0 330.815 4.110 20 5 EIBDRO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000556212915 1047574631 /nfs/dbraw/zinc/57/46/31/1047574631.db2.gz NWTPWTUSSZZUQF-INIZCTEOSA-N 1 0 344.459 4.080 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](c3ccncc3)C3CC3)o2)cc1 ZINC000898327083 1047618818 /nfs/dbraw/zinc/61/88/18/1047618818.db2.gz ZTZKOYOCOJJDBR-FQEVSTJZSA-N 1 0 349.390 4.491 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](c2cccnc2)C2CC2)o1 ZINC000533920158 1047736589 /nfs/dbraw/zinc/73/65/89/1047736589.db2.gz WMRIVNLULKDUAW-FQEVSTJZSA-N 1 0 349.390 4.491 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](C)c1nc2ccccc2s1 ZINC000089513279 1047777253 /nfs/dbraw/zinc/77/72/53/1047777253.db2.gz VOVFWBDMYOEPAJ-STQMWFEESA-N 1 0 341.436 4.486 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H]2CCCN(Cc3ccnc(Cl)c3F)C2)cc1 ZINC000824820782 1047958990 /nfs/dbraw/zinc/95/89/90/1047958990.db2.gz MTAPORNWNDPFQD-CYBMUJFWSA-N 1 0 349.793 4.162 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000556925057 1048218733 /nfs/dbraw/zinc/21/87/33/1048218733.db2.gz XVQLUZHJBCOROS-JSGCOSHPSA-N 1 0 342.361 4.238 20 5 EIBDRO O=[N+]([O-])c1c(F)cccc1NCc1ccccc1C[NH+]1CCCCC1 ZINC000919961956 1048347134 /nfs/dbraw/zinc/34/71/34/1048347134.db2.gz CPVKNKFIOPNGBP-UHFFFAOYSA-N 1 0 343.402 4.332 20 5 EIBDRO C[C@@H](N[C@H](c1ccccc1)c1ccncc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815565820 1048511493 /nfs/dbraw/zinc/51/14/93/1048511493.db2.gz BEQRFFGYPOEBML-JLTOFOAXSA-N 1 0 348.406 4.012 20 5 EIBDRO CCOC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)C ZINC000810015788 1048602006 /nfs/dbraw/zinc/60/20/06/1048602006.db2.gz QGDOSABWMNGCTB-ZDUSSCGKSA-N 1 0 335.231 4.052 20 5 EIBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cc([N+](=O)[O-])cc4cc[nH]c43)c2c1 ZINC001171168105 1048614236 /nfs/dbraw/zinc/61/42/36/1048614236.db2.gz JYXYUCHJBCUXNP-ZDUSSCGKSA-N 1 0 348.406 4.218 20 5 EIBDRO c1nc2c([nH]1)C[C@@H]([NH2+]Cc1c3ccccc3cc3ccccc31)CC2 ZINC000810171735 1048653528 /nfs/dbraw/zinc/65/35/28/1048653528.db2.gz RSPFSDWGLRYQBX-KRWDZBQOSA-N 1 0 327.431 4.363 20 5 EIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2ncc([N+](=O)[O-])s2)cc1 ZINC000195508894 1048886388 /nfs/dbraw/zinc/88/63/88/1048886388.db2.gz BPUNYBILJHNYSM-ZDUSSCGKSA-N 1 0 346.456 4.038 20 5 EIBDRO CC(C)[N@H+](CCOc1ccccc1F)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350425 1049051589 /nfs/dbraw/zinc/05/15/89/1049051589.db2.gz PDBSSJMFMCOMEA-UHFFFAOYSA-N 1 0 332.375 4.023 20 5 EIBDRO Cc1ccccc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811471393 1049092274 /nfs/dbraw/zinc/09/22/74/1049092274.db2.gz AGUPFEWWNVPPIT-UHFFFAOYSA-N 1 0 325.195 4.500 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccsc1 ZINC000811473396 1049093983 /nfs/dbraw/zinc/09/39/83/1049093983.db2.gz XSTGZNLNOUWBCA-UHFFFAOYSA-N 1 0 331.224 4.295 20 5 EIBDRO C[C@H]1CC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000609600813 1049188430 /nfs/dbraw/zinc/18/84/30/1049188430.db2.gz XLCSXAIHLSRDSD-MQMHXKEQSA-N 1 0 331.441 4.387 20 5 EIBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c(F)c1 ZINC000064550847 1049338107 /nfs/dbraw/zinc/33/81/07/1049338107.db2.gz ZRIVBQSQPUNCQB-CYBMUJFWSA-N 1 0 349.431 4.120 20 5 EIBDRO Cc1c(C[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000609916539 1049393401 /nfs/dbraw/zinc/39/34/01/1049393401.db2.gz WOKHAKDQRYAPKR-DYVFJYSZSA-N 1 0 328.387 4.420 20 5 EIBDRO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000610000968 1049462640 /nfs/dbraw/zinc/46/26/40/1049462640.db2.gz HYMRBHQGFXZPJI-LJQANCHMSA-N 1 0 343.402 4.007 20 5 EIBDRO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000610000967 1049465130 /nfs/dbraw/zinc/46/51/30/1049465130.db2.gz HYMRBHQGFXZPJI-IBGZPJMESA-N 1 0 343.402 4.007 20 5 EIBDRO COc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000610004211 1049477984 /nfs/dbraw/zinc/47/79/84/1049477984.db2.gz FTCHWZFRDANJAW-GDBMZVCRSA-N 1 0 326.396 4.154 20 5 EIBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccnc(Cl)c1 ZINC000773022440 1049535002 /nfs/dbraw/zinc/53/50/02/1049535002.db2.gz CJRCLNQNFQYTBW-ZDUSSCGKSA-N 1 0 333.819 4.317 20 5 EIBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000610091400 1049535023 /nfs/dbraw/zinc/53/50/23/1049535023.db2.gz QJKSUWDVIURUTR-CZUORRHYSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000773096399 1049577507 /nfs/dbraw/zinc/57/75/07/1049577507.db2.gz VLHRHFOPHLWRKR-HNAYVOBHSA-N 1 0 340.423 4.068 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000773095926 1049580168 /nfs/dbraw/zinc/58/01/68/1049580168.db2.gz VLHRHFOPHLWRKR-BEFAXECRSA-N 1 0 340.423 4.068 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000237832780 1049777396 /nfs/dbraw/zinc/77/73/96/1049777396.db2.gz GWIOIOBAINNWSY-UHFFFAOYSA-N 1 0 329.787 4.062 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)c1 ZINC000237832660 1049777732 /nfs/dbraw/zinc/77/77/32/1049777732.db2.gz OPRODBKTDZLNHH-UHFFFAOYSA-N 1 0 329.787 4.062 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH+]2CCC3(CCc4ccccc4C3)CC2)cs1 ZINC001171719520 1049783597 /nfs/dbraw/zinc/78/35/97/1049783597.db2.gz TVHMZXGLRPURQS-UHFFFAOYSA-N 1 0 342.464 4.427 20 5 EIBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H]1c1ccccc1 ZINC001171018507 1049852230 /nfs/dbraw/zinc/85/22/30/1049852230.db2.gz PXPINNOUMNDEAI-PMACEKPBSA-N 1 0 340.423 4.242 20 5 EIBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+]CCC1CCCCC1 ZINC001177235631 1050170730 /nfs/dbraw/zinc/17/07/30/1050170730.db2.gz GPGRDJLBVSPGBA-UHFFFAOYSA-N 1 0 341.249 4.417 20 5 EIBDRO CC1CC[NH+](CCc2cccc(Nc3ccc([N+](=O)[O-])nc3)c2)CC1 ZINC001185819259 1050172842 /nfs/dbraw/zinc/17/28/42/1050172842.db2.gz KMHCJJLIZXMHKG-UHFFFAOYSA-N 1 0 340.427 4.008 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cccc3ncccc13)CC2 ZINC001172900780 1050205267 /nfs/dbraw/zinc/20/52/67/1050205267.db2.gz ZXLVIMWXENSENY-GOSISDBHSA-N 1 0 347.418 4.180 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCc3ccccc31)CC2 ZINC001172906830 1050208000 /nfs/dbraw/zinc/20/80/00/1050208000.db2.gz OXVHSVQTHXWCLJ-OALUTQOASA-N 1 0 336.435 4.162 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000181587422 1050231859 /nfs/dbraw/zinc/23/18/59/1050231859.db2.gz ARAVVYRBSFDQSK-CYBMUJFWSA-N 1 0 344.386 4.374 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCc3cc(F)ccc3C1)CC2 ZINC001172919138 1050234573 /nfs/dbraw/zinc/23/45/73/1050234573.db2.gz DZVNQLNEECDRSC-IBGZPJMESA-N 1 0 340.398 4.040 20 5 EIBDRO Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC001177519916 1050236569 /nfs/dbraw/zinc/23/65/69/1050236569.db2.gz RSVFBOJTPJBJEA-RTBURBONSA-N 1 0 344.386 4.052 20 5 EIBDRO C[C@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1(F)F ZINC001172909690 1050244712 /nfs/dbraw/zinc/24/47/12/1050244712.db2.gz UXVIGGXOISIIPS-BBRMVZONSA-N 1 0 338.398 4.209 20 5 EIBDRO CCCCO[C@H]1C[C@@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1(C)C ZINC001177967825 1050334797 /nfs/dbraw/zinc/33/47/97/1050334797.db2.gz QKSJPOODFMXLGU-MSOLQXFVSA-N 1 0 334.460 4.285 20 5 EIBDRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173183649 1050337411 /nfs/dbraw/zinc/33/74/11/1050337411.db2.gz CPMYBGZRMZTPCS-YNEHKIRRSA-N 1 0 326.412 4.088 20 5 EIBDRO CCCC(CCC)[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173179897 1050338459 /nfs/dbraw/zinc/33/84/59/1050338459.db2.gz RTSYFOHORFVPED-GFCCVEGCSA-N 1 0 326.412 4.232 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccccc1Br ZINC001173215976 1050350702 /nfs/dbraw/zinc/35/07/02/1050350702.db2.gz GNFLAQVUVMTWQA-LBPRGKRZSA-N 1 0 349.228 4.078 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1c2ccccc2c2c1C[C@H]([NH3+])CC2 ZINC001173216554 1050350814 /nfs/dbraw/zinc/35/08/14/1050350814.db2.gz CWIBMRORITTYDE-GDBMZVCRSA-N 1 0 349.434 4.169 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC001173219909 1050352831 /nfs/dbraw/zinc/35/28/31/1050352831.db2.gz QWPYIIWHIRMYCQ-STQMWFEESA-N 1 0 332.375 4.024 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC001173218454 1050352877 /nfs/dbraw/zinc/35/28/77/1050352877.db2.gz BAKIPCZYDWAMLH-AWEZNQCLSA-N 1 0 328.387 4.030 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001173224263 1050354476 /nfs/dbraw/zinc/35/44/76/1050354476.db2.gz DEYSGIJFEMRGAI-PJSAGSTRSA-N 1 0 330.815 4.325 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1cccc(F)c1)C1CC1 ZINC001173223632 1050355205 /nfs/dbraw/zinc/35/52/05/1050355205.db2.gz JMHUGYXFYUMJMC-BFUOFWGJSA-N 1 0 328.387 4.406 20 5 EIBDRO COc1ccccc1CC(C)(C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173224540 1050356358 /nfs/dbraw/zinc/35/63/58/1050356358.db2.gz NRNZBMFLPWEKRD-OAHLLOKOSA-N 1 0 342.439 4.145 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC001173230019 1050356494 /nfs/dbraw/zinc/35/64/94/1050356494.db2.gz PWXGLSALPUMQBH-BLVKFPJESA-N 1 0 346.377 4.471 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC001173228400 1050357334 /nfs/dbraw/zinc/35/73/34/1050357334.db2.gz VWJRYGBONXNMDD-KXBFYZLASA-N 1 0 342.464 4.316 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1c2ccccc2c2c1CC[C@H]([NH3+])C2 ZINC001173231555 1050358547 /nfs/dbraw/zinc/35/85/47/1050358547.db2.gz ARHOBLLQOBFGTP-HOCLYGCPSA-N 1 0 349.434 4.169 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)c1cc(F)cc(F)c1 ZINC001173232820 1050359738 /nfs/dbraw/zinc/35/97/38/1050359738.db2.gz GAUZQEAVYBAGND-LBPRGKRZSA-N 1 0 334.366 4.329 20 5 EIBDRO CC[N@H+](CCc1ccc(OC)cc1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233812 1050361917 /nfs/dbraw/zinc/36/19/17/1050361917.db2.gz ZAADQRUIEKWJSL-INIZCTEOSA-N 1 0 342.439 4.099 20 5 EIBDRO Cc1cccc2c(CC[NH3+])cn([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)c21 ZINC001173214204 1050373117 /nfs/dbraw/zinc/37/31/17/1050373117.db2.gz NBHRRTBICJECFA-HNNXBMFYSA-N 1 0 337.423 4.163 20 5 EIBDRO CCC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000618568165 1050417971 /nfs/dbraw/zinc/41/79/71/1050417971.db2.gz SYHCKTLOMDSUIW-MJGOQNOKSA-N 1 0 325.412 4.498 20 5 EIBDRO Cc1cnc([C@H](C)C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)s1 ZINC001178448993 1050462351 /nfs/dbraw/zinc/46/23/51/1050462351.db2.gz HKKXOYGBFBSYEU-GFCCVEGCSA-N 1 0 333.457 4.376 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C1CC1 ZINC001179173220 1050647698 /nfs/dbraw/zinc/64/76/98/1050647698.db2.gz KHWHGIFMYSFKFG-MRXNPFEDSA-N 1 0 330.384 4.142 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccccc1CC(C)C ZINC001179222788 1050651201 /nfs/dbraw/zinc/65/12/01/1050651201.db2.gz RBAPTXPBLRRNQT-UHFFFAOYSA-N 1 0 342.439 4.482 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC001179387282 1050687761 /nfs/dbraw/zinc/68/77/61/1050687761.db2.gz YYEAJIQORVXOQF-UHFFFAOYSA-N 1 0 342.292 4.351 20 5 EIBDRO COc1nn(C)cc1C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001179764535 1050776399 /nfs/dbraw/zinc/77/63/99/1050776399.db2.gz YCCDSGZDVPXSSO-UHFFFAOYSA-N 1 0 331.419 4.025 20 5 EIBDRO CC[NH+](CC)CC[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001179800234 1050781498 /nfs/dbraw/zinc/78/14/98/1050781498.db2.gz OOZYOEMEECRNPQ-HXUWFJFHSA-N 1 0 341.455 4.158 20 5 EIBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCCC23CCOCC3)c2cc([N+](=O)[O-])ccc21 ZINC000619724542 1050871842 /nfs/dbraw/zinc/87/18/42/1050871842.db2.gz NGPWQFYSHSSZQR-MSOLQXFVSA-N 1 0 344.455 4.256 20 5 EIBDRO C[C@@H](CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC001180906014 1051105694 /nfs/dbraw/zinc/10/56/94/1051105694.db2.gz IPZKMZKHAXEDDI-GJZGRUSLSA-N 1 0 349.475 4.364 20 5 EIBDRO CCO[C@H](C)n1cc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cn1 ZINC001174702641 1051138067 /nfs/dbraw/zinc/13/80/67/1051138067.db2.gz DHHSRZRDSQZDNA-CYBMUJFWSA-N 1 0 347.422 4.465 20 5 EIBDRO Cc1ccc([C@@H](C)[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC001190366647 1051171282 /nfs/dbraw/zinc/17/12/82/1051171282.db2.gz SJURLSDNWNJKRF-MRXNPFEDSA-N 1 0 328.412 4.365 20 5 EIBDRO CCCCC[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC001174780331 1051172332 /nfs/dbraw/zinc/17/23/32/1051172332.db2.gz OVFXZKULBCUVQE-INIZCTEOSA-N 1 0 347.459 4.277 20 5 EIBDRO COc1cc(C[N@@H+]2CCC[C@H](C(C)(C)C)CC2)c([N+](=O)[O-])cc1F ZINC001191021956 1051327868 /nfs/dbraw/zinc/32/78/68/1051327868.db2.gz MRMFKEGHBSHJKQ-AWEZNQCLSA-N 1 0 338.423 4.391 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC001191244096 1051408657 /nfs/dbraw/zinc/40/86/57/1051408657.db2.gz GMWNQUJETVYDFE-ACJLOTCBSA-N 1 0 344.386 4.326 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC001182184369 1051415182 /nfs/dbraw/zinc/41/51/82/1051415182.db2.gz OBDUYFNTRYNXBG-OAHLLOKOSA-N 1 0 340.345 4.378 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[N@H+](Cc2ccccc2F)C2CCC2)cc1 ZINC001192214408 1051667366 /nfs/dbraw/zinc/66/73/66/1051667366.db2.gz OEIDVDTZYGYXJR-UHFFFAOYSA-N 1 0 328.387 4.331 20 5 EIBDRO CCCCc1ccc([C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C(C)C)cc1 ZINC001192358576 1051701178 /nfs/dbraw/zinc/70/11/78/1051701178.db2.gz LOKNCWOFNBAINU-LJQANCHMSA-N 1 0 344.459 4.121 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001175965455 1051851298 /nfs/dbraw/zinc/85/12/98/1051851298.db2.gz ILRSADPGQUQCBC-QGZVFWFLSA-N 1 0 345.487 4.305 20 5 EIBDRO Cc1csc([C@@H]2CC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC001175946759 1051863725 /nfs/dbraw/zinc/86/37/25/1051863725.db2.gz LWKJQKPKVZFUAQ-UONOGXRCSA-N 1 0 331.441 4.219 20 5 EIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC001193658906 1051969619 /nfs/dbraw/zinc/96/96/19/1051969619.db2.gz AKFBQUXXIOHWHH-VHDGCEQUSA-N 1 0 347.459 4.035 20 5 EIBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000184490251 1052008157 /nfs/dbraw/zinc/00/81/57/1052008157.db2.gz CMDLZBFEGYXKGB-LBPRGKRZSA-N 1 0 349.456 4.078 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC001193931173 1052023004 /nfs/dbraw/zinc/02/30/04/1052023004.db2.gz MLNOFISNVQCLSF-WBVHZDCISA-N 1 0 340.423 4.290 20 5 EIBDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001194107647 1052076010 /nfs/dbraw/zinc/07/60/10/1052076010.db2.gz KGTDOTHZUFKDDY-LJQANCHMSA-N 1 0 344.411 4.065 20 5 EIBDRO CC1CC[NH+](CCCCNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC001184864749 1052120198 /nfs/dbraw/zinc/12/01/98/1052120198.db2.gz LDWWYBCXTCQDIC-UHFFFAOYSA-N 1 0 342.443 4.067 20 5 EIBDRO O=[N+]([O-])c1ccccc1NCc1ccccc1C[NH+]1CCCCC1 ZINC000139512496 1052137943 /nfs/dbraw/zinc/13/79/43/1052137943.db2.gz VZOZZLREWQKLDS-UHFFFAOYSA-N 1 0 325.412 4.193 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)cc1 ZINC001176641218 1052150559 /nfs/dbraw/zinc/15/05/59/1052150559.db2.gz QQRFPNBFCQOHIR-CNZFZVQHSA-N 1 0 338.407 4.151 20 5 EIBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001185037851 1052158850 /nfs/dbraw/zinc/15/88/50/1052158850.db2.gz XMSQSYFEEQPQTM-BBRMVZONSA-N 1 0 345.830 4.496 20 5 EIBDRO CC(C)[N@@H+]1CCC[C@H](CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001185088814 1052164597 /nfs/dbraw/zinc/16/45/97/1052164597.db2.gz NZZYKDCHEIHPGC-GFCCVEGCSA-N 1 0 345.365 4.146 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCSCc1ccccc1F ZINC001177061105 1052221612 /nfs/dbraw/zinc/22/16/12/1052221612.db2.gz JEZNKLWNCQNRRA-UHFFFAOYSA-N 1 0 348.443 4.374 20 5 EIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001185701606 1052284544 /nfs/dbraw/zinc/28/45/44/1052284544.db2.gz LDLNOWDMHJNPGM-MRXNPFEDSA-N 1 0 331.460 4.076 20 5 EIBDRO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000764282160 1053051926 /nfs/dbraw/zinc/05/19/26/1053051926.db2.gz CIPIAKCNYJMWRM-KXBFYZLASA-N 1 0 328.412 4.020 20 5 EIBDRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001194807730 1053109825 /nfs/dbraw/zinc/10/98/25/1053109825.db2.gz SYHXDVPNABPRAG-CABCVRRESA-N 1 0 347.459 4.070 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cccc(OC(C)C)c1 ZINC000850424023 1053199167 /nfs/dbraw/zinc/19/91/67/1053199167.db2.gz FTPVMNLDAWGHFN-CQSZACIVSA-N 1 0 344.411 4.241 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](O)c3ccccc31)CCCC2 ZINC000850525206 1053283710 /nfs/dbraw/zinc/28/37/10/1053283710.db2.gz HGANWOWERLVDKL-AABGKKOBSA-N 1 0 338.407 4.130 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](O)c3ccccc31)CCCC2 ZINC000850525210 1053286665 /nfs/dbraw/zinc/28/66/65/1053286665.db2.gz HGANWOWERLVDKL-VAMGGRTRSA-N 1 0 338.407 4.130 20 5 EIBDRO CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764807121 1053320226 /nfs/dbraw/zinc/32/02/26/1053320226.db2.gz ANKCLQCVHXQYIS-KXBFYZLASA-N 1 0 331.460 4.122 20 5 EIBDRO CCC[C@@H]([NH2+]CCC1SCCS1)c1cccc([N+](=O)[O-])c1 ZINC000850570656 1053325067 /nfs/dbraw/zinc/32/50/67/1053325067.db2.gz YSWVMRRUOAFWOG-CQSZACIVSA-N 1 0 326.487 4.222 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCOc1ccccc1F ZINC000764931546 1053383696 /nfs/dbraw/zinc/38/36/96/1053383696.db2.gz XPLRYPHBULBUTC-CQSZACIVSA-N 1 0 332.375 4.162 20 5 EIBDRO C[C@]1(Cc2ccccc2F)CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC001195464288 1053407538 /nfs/dbraw/zinc/40/75/38/1053407538.db2.gz SQYVYQJBQMUUJU-LJQANCHMSA-N 1 0 346.377 4.470 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)[C@H](O)c1ccccc1 ZINC000794830225 1053441381 /nfs/dbraw/zinc/44/13/81/1053441381.db2.gz IMYDNQGCBSYBBH-RYGJVYDSSA-N 1 0 342.439 4.456 20 5 EIBDRO CCC[C@H]([NH2+]C[C@H](O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000765273576 1053485365 /nfs/dbraw/zinc/48/53/65/1053485365.db2.gz WZZGDHGGCZEXIE-OALUTQOASA-N 1 0 328.412 4.068 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1cccc(OC)c1OC ZINC000865759624 1053585655 /nfs/dbraw/zinc/58/56/55/1053585655.db2.gz XXZSROLELYTYIX-MRXNPFEDSA-N 1 0 344.411 4.161 20 5 EIBDRO CCC(CC)[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000776606122 1053596881 /nfs/dbraw/zinc/59/68/81/1053596881.db2.gz RTJPPLXXYMQNEO-AEFFLSMTSA-N 1 0 348.468 4.457 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000121022407 1053697916 /nfs/dbraw/zinc/69/79/16/1053697916.db2.gz QZXSOSJPUBHZKJ-NJSLBKSFSA-N 1 0 346.402 4.205 20 5 EIBDRO C[NH+](C)Cc1cc(CNc2ccc(Cl)cc2[N+](=O)[O-])ccc1F ZINC000301275803 1053843776 /nfs/dbraw/zinc/84/37/76/1053843776.db2.gz IYTZNSIPVSQUMY-UHFFFAOYSA-N 1 0 337.782 4.061 20 5 EIBDRO COc1ccc(C[N@@H+]2CCC[C@]2(C)c2ccccc2)cc1[N+](=O)[O-] ZINC001197342691 1053879043 /nfs/dbraw/zinc/87/90/43/1053879043.db2.gz QQMMDNZFPFUYNT-LJQANCHMSA-N 1 0 326.396 4.115 20 5 EIBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC001197660393 1053960609 /nfs/dbraw/zinc/96/06/09/1053960609.db2.gz NPUSXRYMCGQCGJ-FZKQIMNGSA-N 1 0 341.367 4.086 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCOc2c(Cl)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000173348331 1054093108 /nfs/dbraw/zinc/09/31/08/1054093108.db2.gz BSYCRSYIXZSZOH-MEDUHNTESA-N 1 0 332.787 4.423 20 5 EIBDRO C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173350962 1054100102 /nfs/dbraw/zinc/10/01/02/1054100102.db2.gz YIIZEUYZBVQOPO-QKYXUNIQSA-N 1 0 340.423 4.413 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000856805297 1054113804 /nfs/dbraw/zinc/11/38/04/1054113804.db2.gz MLOJULZCVUCOJA-HJTPGIPUSA-N 1 0 329.227 4.172 20 5 EIBDRO C[C@@]1(Cc2cccs2)CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC001198300399 1054120033 /nfs/dbraw/zinc/12/00/33/1054120033.db2.gz NBLBMTALGRITMO-KRWDZBQOSA-N 1 0 334.416 4.393 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC000857083254 1054177872 /nfs/dbraw/zinc/17/78/72/1054177872.db2.gz VRQRECGUJVMYJK-KGLIPLIRSA-N 1 0 343.254 4.089 20 5 EIBDRO CN(C)c1ccc(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000775882300 1054203792 /nfs/dbraw/zinc/20/37/92/1054203792.db2.gz ZXNVLDRFNCAGBT-UHFFFAOYSA-N 1 0 339.439 4.040 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cccc(F)c3)o2)cc1 ZINC001199059983 1054333834 /nfs/dbraw/zinc/33/38/34/1054333834.db2.gz LPELGILMIVTBDT-UHFFFAOYSA-N 1 0 326.327 4.284 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000872046426 1054359603 /nfs/dbraw/zinc/35/96/03/1054359603.db2.gz HHURHSCLDFZXMX-WOSRLPQWSA-N 1 0 338.473 4.171 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCO[C@@H]1CCCC[C@H]1C ZINC001199274985 1054371942 /nfs/dbraw/zinc/37/19/42/1054371942.db2.gz AUGJWMRIKXPPLT-FESITFKDSA-N 1 0 332.444 4.183 20 5 EIBDRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872078186 1054381666 /nfs/dbraw/zinc/38/16/66/1054381666.db2.gz FTBWSHSSTZVQEN-KBPBESRZSA-N 1 0 331.391 4.191 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872260391 1054426974 /nfs/dbraw/zinc/42/69/74/1054426974.db2.gz OZLMWEJKQVUONL-WEBJUUICSA-N 1 0 330.428 4.032 20 5 EIBDRO CCOCc1ccccc1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873008489 1054476755 /nfs/dbraw/zinc/47/67/55/1054476755.db2.gz MCHNZQMGWPKLSU-UHFFFAOYSA-N 1 0 328.412 4.038 20 5 EIBDRO Cc1c(C[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000873104261 1054486868 /nfs/dbraw/zinc/48/68/68/1054486868.db2.gz LDWDBBKCFUDOAY-PKOBYXMFSA-N 1 0 344.386 4.052 20 5 EIBDRO COC(=O)N1CCC[C@H]([NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC001199989837 1054514366 /nfs/dbraw/zinc/51/43/66/1054514366.db2.gz GLTAOLMJHJFJBE-SFHVURJKSA-N 1 0 348.446 4.313 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3c2cccc3Br)cc1 ZINC000105491903 1054529314 /nfs/dbraw/zinc/52/93/14/1054529314.db2.gz IBWPQCLYZFQRHT-INIZCTEOSA-N 1 0 347.212 4.134 20 5 EIBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1(C)C ZINC001201655763 1054877944 /nfs/dbraw/zinc/87/79/44/1054877944.db2.gz NZFHWMQCGCFHIW-UYHISHBKSA-N 1 0 344.411 4.004 20 5 EIBDRO COc1cc[nH+]c(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC001201814069 1054911285 /nfs/dbraw/zinc/91/12/85/1054911285.db2.gz KZLGFJFXQXFOMI-UHFFFAOYSA-N 1 0 341.392 4.339 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnc(-c3ccccc3)nc2)cc1[N+](=O)[O-] ZINC000776223009 1054938147 /nfs/dbraw/zinc/93/81/47/1054938147.db2.gz ZHUQTFAZBRRMNZ-OAHLLOKOSA-N 1 0 348.406 4.211 20 5 EIBDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000877073205 1055014848 /nfs/dbraw/zinc/01/48/48/1055014848.db2.gz FNFKEUYQNRGZHO-UDFDBXRZSA-N 1 0 342.376 4.277 20 5 EIBDRO COc1ccc([C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000072727371 1055035030 /nfs/dbraw/zinc/03/50/30/1055035030.db2.gz ZBCJPGNJYOWSSJ-OAQYLSRUSA-N 1 0 348.402 4.483 20 5 EIBDRO Cc1csc([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)n1 ZINC000877813038 1055125961 /nfs/dbraw/zinc/12/59/61/1055125961.db2.gz INRUETUTOLNKHJ-LLVKDONJSA-N 1 0 337.832 4.003 20 5 EIBDRO Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000776279941 1055150698 /nfs/dbraw/zinc/15/06/98/1055150698.db2.gz VDWYEIWJNPKUAS-PMACEKPBSA-N 1 0 340.423 4.082 20 5 EIBDRO C[C@@H](c1cc2ccccc2o1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776280466 1055155350 /nfs/dbraw/zinc/15/53/50/1055155350.db2.gz ZXWCSKWPLMDGPT-GUYCJALGSA-N 1 0 340.379 4.067 20 5 EIBDRO C[C@H](c1cc2ccccc2o1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776280465 1055155466 /nfs/dbraw/zinc/15/54/66/1055155466.db2.gz ZXWCSKWPLMDGPT-DYVFJYSZSA-N 1 0 340.379 4.067 20 5 EIBDRO CC[C@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000765807736 1055439276 /nfs/dbraw/zinc/43/92/76/1055439276.db2.gz HITKFEBHAGIOCB-ROUUACIJSA-N 1 0 348.830 4.197 20 5 EIBDRO Cc1cc2cc3cc(C)c(Nc4cccnc4N)cc3[nH+]c2cc1N ZINC001212408846 1055562959 /nfs/dbraw/zinc/56/29/59/1055562959.db2.gz PAJJGLMXXDACAW-UHFFFAOYSA-N 1 0 329.407 4.308 20 5 EIBDRO C[C@@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301508512 1055647495 /nfs/dbraw/zinc/64/74/95/1055647495.db2.gz AQBPSVXDGNISDJ-GDBMZVCRSA-N 1 0 343.402 4.199 20 5 EIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(O)c1 ZINC000282290882 1055775431 /nfs/dbraw/zinc/77/54/31/1055775431.db2.gz LSKMQBSQURNYDE-JTQLQIEISA-N 1 0 340.301 4.170 20 5 EIBDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000542697521 1055838777 /nfs/dbraw/zinc/83/87/77/1055838777.db2.gz NPFPATYWOXFOLG-IBGZPJMESA-N 1 0 326.396 4.249 20 5 EIBDRO CC(C)Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000765844761 1055846198 /nfs/dbraw/zinc/84/61/98/1055846198.db2.gz JDFITLKYVBRZMN-YWZLYKJASA-N 1 0 342.439 4.178 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCC(F)(F)CC1 ZINC000554311629 1056056352 /nfs/dbraw/zinc/05/63/52/1056056352.db2.gz OYKZVSKAIYBUON-UHFFFAOYSA-N 1 0 328.359 4.003 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000554360292 1056063820 /nfs/dbraw/zinc/06/38/20/1056063820.db2.gz PFEWWJHSGJUYDO-HLLBOEOZSA-N 1 0 334.485 4.039 20 5 EIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000273705709 1056088716 /nfs/dbraw/zinc/08/87/16/1056088716.db2.gz NKYVNZOFKRNXKV-QWHCGFSZSA-N 1 0 344.415 4.074 20 5 EIBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000057854719 1056382503 /nfs/dbraw/zinc/38/25/03/1056382503.db2.gz CSSZTJVJCONNRS-UHFFFAOYSA-N 1 0 337.470 4.042 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000338714842 1056500237 /nfs/dbraw/zinc/50/02/37/1056500237.db2.gz DRYSSFKARCNEFM-UHFFFAOYSA-N 1 0 339.420 4.317 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CCC4(CCCC4)C3)c2c1 ZINC000743389510 1058967779 /nfs/dbraw/zinc/96/77/79/1058967779.db2.gz DPDKPMVRQSTQEO-UHFFFAOYSA-N 1 0 333.413 4.096 20 5 EIBDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000746047730 1059981787 /nfs/dbraw/zinc/98/17/87/1059981787.db2.gz QQYHHJRQDFNWMV-SJORKVTESA-N 1 0 334.803 4.023 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2Oc2ccc(F)cc2)C1 ZINC001168977030 1060549098 /nfs/dbraw/zinc/54/90/98/1060549098.db2.gz HAPQCEQXJSVMPA-RHSMWYFYSA-N 1 0 344.386 4.153 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2Oc2ccccc2)C1 ZINC001168969939 1060560886 /nfs/dbraw/zinc/56/08/86/1060560886.db2.gz GOAHJUPVQNVFLV-WBVHZDCISA-N 1 0 326.396 4.014 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccccc2Oc2ccccc2)C1 ZINC001168969937 1060561955 /nfs/dbraw/zinc/56/19/55/1060561955.db2.gz GOAHJUPVQNVFLV-RDJZCZTQSA-N 1 0 326.396 4.014 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3C(F)(F)F)CCC2)C1 ZINC001168994038 1060567875 /nfs/dbraw/zinc/56/78/75/1060567875.db2.gz OBYMIUUOBWAISF-QWHCGFSZSA-N 1 0 342.361 4.120 20 5 EIBDRO CC[N@H+](Cc1ccc(Cl)cc1Cl)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169045419 1060598650 /nfs/dbraw/zinc/59/86/50/1060598650.db2.gz JCJIIPKWIZCECD-SMDDNHRTSA-N 1 0 331.243 4.261 20 5 EIBDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001169781096 1060965578 /nfs/dbraw/zinc/96/55/78/1060965578.db2.gz RSDAMPLURPHCCS-INIZCTEOSA-N 1 0 326.824 4.029 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000119707458 522938207 /nfs/dbraw/zinc/93/82/07/522938207.db2.gz NZMJVYXMYVJITQ-SJKOYZFVSA-N 1 0 329.356 4.305 20 5 EIBDRO COc1ccc(OCCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000532207191 1032087310 /nfs/dbraw/zinc/08/73/10/1032087310.db2.gz MDQGTYFFUUYPNF-HNNXBMFYSA-N 1 0 344.411 4.032 20 5 EIBDRO C[C@H]([NH2+]CCOCC1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000532225290 1032103991 /nfs/dbraw/zinc/10/39/91/1032103991.db2.gz LQCTZKRAHWIPFU-ZDUSSCGKSA-N 1 0 346.452 4.401 20 5 EIBDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000532302802 1032140379 /nfs/dbraw/zinc/14/03/79/1032140379.db2.gz DSPFUXKZZATMOJ-LRDDRELGSA-N 1 0 331.441 4.387 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCCSCC3)s2)cc1 ZINC000508636715 1032548429 /nfs/dbraw/zinc/54/84/29/1032548429.db2.gz GEVMXJSCRVFZLB-UHFFFAOYSA-N 1 0 334.466 4.262 20 5 EIBDRO CCC1CCC([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000533447124 1032779332 /nfs/dbraw/zinc/77/93/32/1032779332.db2.gz GZRCHUGQRISSDP-UHFFFAOYSA-N 1 0 344.415 4.045 20 5 EIBDRO CSC[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430189340 1019066460 /nfs/dbraw/zinc/06/64/60/1019066460.db2.gz DCJRZIXIDIZEBC-CQSZACIVSA-N 1 0 346.452 4.430 20 5 EIBDRO CSC[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000430193540 1019107557 /nfs/dbraw/zinc/10/75/57/1019107557.db2.gz FNXRZFBYGLMOCM-AWEZNQCLSA-N 1 0 346.452 4.430 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000430200104 1019245772 /nfs/dbraw/zinc/24/57/72/1019245772.db2.gz FMJLLOHRHWXIQS-NSHDSACASA-N 1 0 343.408 4.064 20 5 EIBDRO C[NH+](C)[C@@H](CNc1sccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000302022483 1019330479 /nfs/dbraw/zinc/33/04/79/1019330479.db2.gz OMGZLARKZKUHDS-ZDUSSCGKSA-N 1 0 325.821 4.025 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000430209736 1019364095 /nfs/dbraw/zinc/36/40/95/1019364095.db2.gz YPXZFNIXCMDJMB-IBGZPJMESA-N 1 0 326.396 4.234 20 5 EIBDRO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000610216209 1019397692 /nfs/dbraw/zinc/39/76/92/1019397692.db2.gz ZRXWBPYKOMLOTE-ZBFHGGJFSA-N 1 0 328.387 4.360 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000430225548 1019491079 /nfs/dbraw/zinc/49/10/79/1019491079.db2.gz YIKXZRBHHFZBLN-SFHVURJKSA-N 1 0 328.412 4.480 20 5 EIBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(OC(F)(F)F)c1 ZINC000175754528 1019503942 /nfs/dbraw/zinc/50/39/42/1019503942.db2.gz CRKIRONISDLXMF-LLVKDONJSA-N 1 0 340.301 4.344 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1c(C)nn(C)c1C ZINC000133753290 1019834480 /nfs/dbraw/zinc/83/44/80/1019834480.db2.gz SHDGLYJUPQIPFY-PXAZEXFGSA-N 1 0 330.432 4.055 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@]4(CC=CCC4)C3)nc2c1 ZINC000177076170 1020951183 /nfs/dbraw/zinc/95/11/83/1020951183.db2.gz GLAJJZRAOPIXGE-GOSISDBHSA-N 1 0 327.384 4.058 20 5 EIBDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083174498 1021016377 /nfs/dbraw/zinc/01/63/77/1021016377.db2.gz ZOKXURXRZPMCKJ-UKRRQHHQSA-N 1 0 337.379 4.114 20 5 EIBDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083174499 1021017612 /nfs/dbraw/zinc/01/76/12/1021017612.db2.gz ZOKXURXRZPMCKJ-DZGCQCFKSA-N 1 0 337.379 4.114 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCCOc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000179964022 1021186189 /nfs/dbraw/zinc/18/61/89/1021186189.db2.gz XTWWGVOJLCNNBZ-SJKOYZFVSA-N 1 0 330.359 4.298 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001167332708 1021200571 /nfs/dbraw/zinc/20/05/71/1021200571.db2.gz QKGGYLQBXQJJQR-KRWDZBQOSA-N 1 0 340.423 4.058 20 5 EIBDRO C[C@@H](NCC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000379624336 1021846031 /nfs/dbraw/zinc/84/60/31/1021846031.db2.gz JNFDVRMFDKRYKF-DLBZAZTESA-N 1 0 341.455 4.156 20 5 EIBDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000279927096 1033011471 /nfs/dbraw/zinc/01/14/71/1033011471.db2.gz XSEOKVURTRZAPC-GOSISDBHSA-N 1 0 346.474 4.341 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ncc(-c3ccccc3)s2)cc1 ZINC000180123670 1021875428 /nfs/dbraw/zinc/87/54/28/1021875428.db2.gz KFODVCGHQBWUFY-UHFFFAOYSA-N 1 0 339.420 4.051 20 5 EIBDRO COC1CCC([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000414167834 1022012350 /nfs/dbraw/zinc/01/23/50/1022012350.db2.gz HHISXUGYFPRMPY-UUKMXZOPSA-N 1 0 340.423 4.231 20 5 EIBDRO CC(C)(C)c1ccncc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000414236003 1022247327 /nfs/dbraw/zinc/24/73/27/1022247327.db2.gz VCWKFGLBVNRFBA-IBGZPJMESA-N 1 0 339.439 4.455 20 5 EIBDRO COCC1CCC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000414319724 1022531279 /nfs/dbraw/zinc/53/12/79/1022531279.db2.gz ZUQZJTSXDLNPHM-WTNGLUPJSA-N 1 0 332.444 4.112 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CCCc3c(C)ccc(C)c32)cc1[N+](=O)[O-] ZINC000471618268 1022540782 /nfs/dbraw/zinc/54/07/82/1022540782.db2.gz KFYSWWFPNQTMKT-KRWDZBQOSA-N 1 0 340.423 4.387 20 5 EIBDRO COCCCCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180331176 1022553175 /nfs/dbraw/zinc/55/31/75/1022553175.db2.gz LCTMISUQBMWHDB-IBGZPJMESA-N 1 0 328.412 4.091 20 5 EIBDRO Cc1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc2cccnc12 ZINC000549408307 1022584368 /nfs/dbraw/zinc/58/43/68/1022584368.db2.gz NJBNHVLNDTYUCJ-UHFFFAOYSA-N 1 0 335.407 4.126 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000512542252 1033074997 /nfs/dbraw/zinc/07/49/97/1033074997.db2.gz MNCZFRNPQIHEIO-SOFGYWHQSA-N 1 0 344.455 4.422 20 5 EIBDRO C[NH+](C)[C@H](CNc1ccsc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000610468860 1022726118 /nfs/dbraw/zinc/72/61/18/1022726118.db2.gz NYFNLTFVDVCNAD-CYBMUJFWSA-N 1 0 325.821 4.025 20 5 EIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(F)cc1F ZINC000581154596 1022861390 /nfs/dbraw/zinc/86/13/90/1022861390.db2.gz LPKXSKCXGIAZRJ-LLVKDONJSA-N 1 0 345.349 4.248 20 5 EIBDRO CSC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549718061 1033092836 /nfs/dbraw/zinc/09/28/36/1033092836.db2.gz SZIHPTKQAXDMHT-NSHDSACASA-N 1 0 348.390 4.189 20 5 EIBDRO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000188882576 1022952472 /nfs/dbraw/zinc/95/24/72/1022952472.db2.gz IBRXPRCMXHURAM-OAHLLOKOSA-N 1 0 332.787 4.170 20 5 EIBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](C)C(C)C ZINC000120269265 1023154531 /nfs/dbraw/zinc/15/45/31/1023154531.db2.gz HCVRLCZUHVMHEK-AWEZNQCLSA-N 1 0 331.416 4.159 20 5 EIBDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000610581327 1023222064 /nfs/dbraw/zinc/22/20/64/1023222064.db2.gz ZUOXHKQSQAHHGO-QGZVFWFLSA-N 1 0 337.379 4.382 20 5 EIBDRO C[C@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1nccs1 ZINC000417343930 1023280475 /nfs/dbraw/zinc/28/04/75/1023280475.db2.gz PAQBCRAPHKTKCS-WBMJQRKESA-N 1 0 331.441 4.212 20 5 EIBDRO CC1(C)C[C@@H]([NH2+][C@H]2COCc3ccccc32)c2cc([N+](=O)[O-])ccc21 ZINC000417372731 1023294664 /nfs/dbraw/zinc/29/46/64/1023294664.db2.gz XLCVIUYXBXASTN-MOPGFXCFSA-N 1 0 338.407 4.178 20 5 EIBDRO COc1cccc(C2(F)CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000500141310 1023538094 /nfs/dbraw/zinc/53/80/94/1023538094.db2.gz SJRAJZOBCFKUQO-UHFFFAOYSA-N 1 0 344.386 4.064 20 5 EIBDRO COc1ccc(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1F ZINC000477318916 1023578060 /nfs/dbraw/zinc/57/80/60/1023578060.db2.gz GVFREZMOJSVHSW-UHFFFAOYSA-N 1 0 346.402 4.198 20 5 EIBDRO CC[C@H]([NH2+][C@H]1CCOc2ccc(OC)cc21)c1cccc([N+](=O)[O-])c1 ZINC000090918681 1023679909 /nfs/dbraw/zinc/67/99/09/1023679909.db2.gz BFNCLKBNEFNZHK-ROUUACIJSA-N 1 0 342.395 4.168 20 5 EIBDRO CC(C)OCCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000236798143 1023741139 /nfs/dbraw/zinc/74/11/39/1023741139.db2.gz MEIHRBKHJKBNOL-UHFFFAOYSA-N 1 0 334.441 4.228 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)c(Cl)c1 ZINC000500427365 1023821209 /nfs/dbraw/zinc/82/12/09/1023821209.db2.gz HVOXXIRSBMFFAO-XJKSGUPXSA-N 1 0 345.830 4.459 20 5 EIBDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072776091 1023844947 /nfs/dbraw/zinc/84/49/47/1023844947.db2.gz JZISCOJRGMEVCL-CJNGLKHVSA-N 1 0 344.415 4.045 20 5 EIBDRO COc1cc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000101590919 1023873106 /nfs/dbraw/zinc/87/31/06/1023873106.db2.gz AMKPANXJWLQWIQ-AWEZNQCLSA-N 1 0 344.411 4.241 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C[C@@H](C)O)c1ccccc1 ZINC000121548587 1023898483 /nfs/dbraw/zinc/89/84/83/1023898483.db2.gz IHZVZABJKSBSRI-RYRKJORJSA-N 1 0 342.439 4.109 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000181720029 1024022757 /nfs/dbraw/zinc/02/27/57/1024022757.db2.gz ODFXYCKJPUIFEB-IYOUNJFTSA-N 1 0 326.396 4.119 20 5 EIBDRO CCC[C@H]([NH2+]Cc1ccc(OC)cc1OC)c1cccc([N+](=O)[O-])c1 ZINC000104151687 1024066819 /nfs/dbraw/zinc/06/68/19/1024066819.db2.gz ZGXKNIAQTZXRHQ-SFHVURJKSA-N 1 0 344.411 4.243 20 5 EIBDRO CCCCC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000047628003 1024069795 /nfs/dbraw/zinc/06/97/95/1024069795.db2.gz YGFMSAPLAHBENN-UHFFFAOYSA-N 1 0 332.404 4.045 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000341818013 1024775726 /nfs/dbraw/zinc/77/57/26/1024775726.db2.gz VSEYTSNBFMAPEX-INIZCTEOSA-N 1 0 332.787 4.252 20 5 EIBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000049128871 1024802046 /nfs/dbraw/zinc/80/20/46/1024802046.db2.gz SUTBXQQUUIKFNO-JTQLQIEISA-N 1 0 326.805 4.039 20 5 EIBDRO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000105024252 1025082361 /nfs/dbraw/zinc/08/23/61/1025082361.db2.gz PFYIVGOAQXVOCN-LBPRGKRZSA-N 1 0 334.803 4.416 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccccc1[N+](=O)[O-] ZINC000538158216 1025167749 /nfs/dbraw/zinc/16/77/49/1025167749.db2.gz DOERZYRWTDRDMX-GJZGRUSLSA-N 1 0 336.395 4.192 20 5 EIBDRO C[NH+](C)[C@@H](CNc1c(Cl)cccc1[N+](=O)[O-])c1cccs1 ZINC000432318301 1025313339 /nfs/dbraw/zinc/31/33/39/1025313339.db2.gz AQNOJSFWDYQDNR-LBPRGKRZSA-N 1 0 325.821 4.025 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000893621668 1025580127 /nfs/dbraw/zinc/58/01/27/1025580127.db2.gz UWAWUYAUIMKYMC-SJLPKXTDSA-N 1 0 346.814 4.258 20 5 EIBDRO C[C@H](Cc1cccnc1)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000934231113 1025885220 /nfs/dbraw/zinc/88/52/20/1025885220.db2.gz MFEFCTCUIZAOQW-SNVBAGLBSA-N 1 0 340.210 4.017 20 5 EIBDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000539227465 1025889261 /nfs/dbraw/zinc/88/92/61/1025889261.db2.gz SMKYRCZVUPVRTI-WMLDXEAASA-N 1 0 346.452 4.228 20 5 EIBDRO CC(C)Oc1ccc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000539264875 1025912202 /nfs/dbraw/zinc/91/22/02/1025912202.db2.gz LXDLUKQKDIDVER-HNNXBMFYSA-N 1 0 344.411 4.112 20 5 EIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000344077469 1025965668 /nfs/dbraw/zinc/96/56/68/1025965668.db2.gz NVQRRKQEJXVHNZ-KRWDZBQOSA-N 1 0 338.407 4.173 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCOc1ccccc1Cl ZINC000511058404 1026015683 /nfs/dbraw/zinc/01/56/83/1026015683.db2.gz RTCFXDDDOILVCI-ZDUSSCGKSA-N 1 0 334.803 4.320 20 5 EIBDRO COc1ccc([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C(C)C)cc1 ZINC000182054999 1026019651 /nfs/dbraw/zinc/01/96/51/1026019651.db2.gz ZXXURKOVKUUMOK-IBGZPJMESA-N 1 0 328.412 4.399 20 5 EIBDRO CC[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000279120779 1026106163 /nfs/dbraw/zinc/10/61/63/1026106163.db2.gz QBUSMPJXCGMSNY-ROUUACIJSA-N 1 0 325.412 4.453 20 5 EIBDRO C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000432500533 1026200573 /nfs/dbraw/zinc/20/05/73/1026200573.db2.gz IZAAZAVUJBSPLL-DLBZAZTESA-N 1 0 339.439 4.162 20 5 EIBDRO CCCC[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)[C@@H](C)CC ZINC000728898069 1026236583 /nfs/dbraw/zinc/23/65/83/1026236583.db2.gz VOOGWCNVTBPTGJ-HNNXBMFYSA-N 1 0 330.432 4.316 20 5 EIBDRO CCC[C@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000344331019 1026245509 /nfs/dbraw/zinc/24/55/09/1026245509.db2.gz ONQMOBMRFDZDQB-YJBOKZPZSA-N 1 0 334.460 4.214 20 5 EIBDRO CCC(CC)[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1 ZINC000728899657 1026267123 /nfs/dbraw/zinc/26/71/23/1026267123.db2.gz ZKGKYDVDVNMIBE-UHFFFAOYSA-N 1 0 328.416 4.069 20 5 EIBDRO COc1c(O)ccc(C[NH2+][C@H](C)c2cccc(C3CC3)c2)c1[N+](=O)[O-] ZINC000894656736 1026296652 /nfs/dbraw/zinc/29/66/52/1026296652.db2.gz FCIOVOYESYGPMZ-GFCCVEGCSA-N 1 0 342.395 4.037 20 5 EIBDRO Cc1ccc2c(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)ccc(O)c2n1 ZINC000338291898 1026517772 /nfs/dbraw/zinc/51/77/72/1026517772.db2.gz ZYUWNZDSUFOEMJ-CYBMUJFWSA-N 1 0 337.379 4.008 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000158218720 1026565969 /nfs/dbraw/zinc/56/59/69/1026565969.db2.gz QWCLOKPNJLKKIH-LJHODMEESA-N 1 0 326.396 4.166 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000178571618 1026693719 /nfs/dbraw/zinc/69/37/19/1026693719.db2.gz RQCHSISSBQGNFO-QZTJIDSGSA-N 1 0 346.814 4.119 20 5 EIBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCOc3ccccc32)cccc1[N+](=O)[O-] ZINC000158382652 1026704186 /nfs/dbraw/zinc/70/41/86/1026704186.db2.gz ATVYAZQEPJERRZ-LSDHHAIUSA-N 1 0 326.396 4.120 20 5 EIBDRO CC1(C)C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2O1 ZINC000345014477 1026752634 /nfs/dbraw/zinc/75/26/34/1026752634.db2.gz FDTNEMFYVMQVFS-INIZCTEOSA-N 1 0 330.359 4.126 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cccc2[nH]ccc21 ZINC000500463056 1026773792 /nfs/dbraw/zinc/77/37/92/1026773792.db2.gz SJSOFAZGFQYHNA-QINSGFPZSA-N 1 0 335.407 4.312 20 5 EIBDRO Cc1cccnc1[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000120857384 1026820115 /nfs/dbraw/zinc/82/01/15/1026820115.db2.gz ICNYLWUQMZDXEQ-INIZCTEOSA-N 1 0 333.819 4.439 20 5 EIBDRO CC[NH+](CC)[C@H](C)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000479489646 1026824398 /nfs/dbraw/zinc/82/43/98/1026824398.db2.gz MQRYCWODQUTIQP-UZLBHIALSA-N 1 0 341.455 4.004 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCCCO1 ZINC000507611490 1026854422 /nfs/dbraw/zinc/85/44/22/1026854422.db2.gz PXLLZDFNKWYMGA-HUUCEWRRSA-N 1 0 338.473 4.014 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCCCO1 ZINC000507611489 1026854458 /nfs/dbraw/zinc/85/44/58/1026854458.db2.gz PXLLZDFNKWYMGA-GJZGRUSLSA-N 1 0 338.473 4.014 20 5 EIBDRO CC1(C)CC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000507715537 1026885354 /nfs/dbraw/zinc/88/53/54/1026885354.db2.gz DRPVFLBRXUWVTE-CYBMUJFWSA-N 1 0 331.441 4.387 20 5 EIBDRO C[C@H](CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000467411061 1026908841 /nfs/dbraw/zinc/90/88/41/1026908841.db2.gz MBSWSVJIPOPMLL-BPQIPLTHSA-N 1 0 342.443 4.058 20 5 EIBDRO COc1cncc(/C=C\CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000519710299 1026964744 /nfs/dbraw/zinc/96/47/44/1026964744.db2.gz KWWLIIKOEGSXHJ-VOKGJARPSA-N 1 0 341.411 4.061 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000178640568 1026969161 /nfs/dbraw/zinc/96/91/61/1026969161.db2.gz BZXDLSVPEXNYMQ-LLVKDONJSA-N 1 0 340.301 4.344 20 5 EIBDRO CC[C@@H](O)CC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000128122442 1027079378 /nfs/dbraw/zinc/07/93/78/1027079378.db2.gz BYEHKLYAKDHDQH-CHWSQXEVSA-N 1 0 334.441 4.135 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000178646559 1027081081 /nfs/dbraw/zinc/08/10/81/1027081081.db2.gz OTLFDLMPGGUDEP-AWEZNQCLSA-N 1 0 341.411 4.162 20 5 EIBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC000052926233 1027304928 /nfs/dbraw/zinc/30/49/28/1027304928.db2.gz OINMVBZJQWQOQW-SECBINFHSA-N 1 0 341.230 4.270 20 5 EIBDRO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000441323431 1027447369 /nfs/dbraw/zinc/44/73/69/1027447369.db2.gz MZZHQXBTCKIITJ-KBXCAEBGSA-N 1 0 344.386 4.196 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178686511 1027474258 /nfs/dbraw/zinc/47/42/58/1027474258.db2.gz HKKFXTMTLXDLFA-CHWSQXEVSA-N 1 0 331.391 4.212 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000178685412 1027474813 /nfs/dbraw/zinc/47/48/13/1027474813.db2.gz KKWZITJGBUXHRZ-CHWSQXEVSA-N 1 0 329.356 4.223 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000178685442 1027503831 /nfs/dbraw/zinc/50/38/31/1027503831.db2.gz SCJZLBWAEMSDRM-QWHCGFSZSA-N 1 0 329.356 4.223 20 5 EIBDRO CC[C@@H](Cc1ccccc1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582987638 1027808816 /nfs/dbraw/zinc/80/88/16/1027808816.db2.gz MASSSLWIKVFPBH-KRWDZBQOSA-N 1 0 337.423 4.230 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)Cc1cnc(C(C)C)nc1 ZINC000440485756 1027885438 /nfs/dbraw/zinc/88/54/38/1027885438.db2.gz NERFQEGIZJHCRD-CQSZACIVSA-N 1 0 328.416 4.010 20 5 EIBDRO CC(C)C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccs1 ZINC000444681632 1027959487 /nfs/dbraw/zinc/95/94/87/1027959487.db2.gz VSVQEDXJZCZDCN-OAHLLOKOSA-N 1 0 344.440 4.410 20 5 EIBDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000166733246 1028000945 /nfs/dbraw/zinc/00/09/45/1028000945.db2.gz JPSYQBDHJGMVTR-KBPBESRZSA-N 1 0 348.468 4.383 20 5 EIBDRO CCC[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000324074443 1028104588 /nfs/dbraw/zinc/10/45/88/1028104588.db2.gz YQBGDGCIIHPFAJ-IRXDYDNUSA-N 1 0 347.484 4.390 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCNc1cccc(F)c1 ZINC000544373337 1028726569 /nfs/dbraw/zinc/72/65/69/1028726569.db2.gz BSGWRZBYALLDMO-CQSZACIVSA-N 1 0 331.391 4.195 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000245382459 1028842728 /nfs/dbraw/zinc/84/27/28/1028842728.db2.gz JIYCEESDFLUFNN-LMOYCYGVSA-N 1 0 344.415 4.120 20 5 EIBDRO Cc1cc(Cl)nc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000281916976 1028958049 /nfs/dbraw/zinc/95/80/49/1028958049.db2.gz AGUFAXUIGURMJW-MRXNPFEDSA-N 1 0 331.803 4.119 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cscc2C(F)(F)F)cc1 ZINC000583663073 1029011041 /nfs/dbraw/zinc/01/10/41/1029011041.db2.gz LVYCCOWWSAJYFY-UHFFFAOYSA-N 1 0 330.331 4.007 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCSC3(CCC3)C2)cc1Cl ZINC000896951461 1029235541 /nfs/dbraw/zinc/23/55/41/1029235541.db2.gz OXJZGTTUJWDFKL-GFCCVEGCSA-N 1 0 326.849 4.156 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+]C(C3CC3)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000237414448 1029236303 /nfs/dbraw/zinc/23/63/03/1029236303.db2.gz ZVOKSVJDMFMWGT-UHFFFAOYSA-N 1 0 342.395 4.142 20 5 EIBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000247300977 1029286397 /nfs/dbraw/zinc/28/63/97/1029286397.db2.gz FBMBLCVBMNDPEA-UHFFFAOYSA-N 1 0 325.412 4.193 20 5 EIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000475154820 1029299950 /nfs/dbraw/zinc/29/99/50/1029299950.db2.gz LUUCPQRVBNRDFX-ZMSDIMECSA-N 1 0 347.459 4.035 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(OCC3CCCCC3)CC2)c1 ZINC000525272022 1029541907 /nfs/dbraw/zinc/54/19/07/1029541907.db2.gz NQRNMEFCQRFSKW-UHFFFAOYSA-N 1 0 332.444 4.156 20 5 EIBDRO COCC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(C)o1 ZINC000278725547 1029741959 /nfs/dbraw/zinc/74/19/59/1029741959.db2.gz MLJJYKFFGUBBIY-ROUUACIJSA-N 1 0 344.411 4.241 20 5 EIBDRO COc1ccc2c(c1)CCC[N@H+]([C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000525786609 1030021183 /nfs/dbraw/zinc/02/11/83/1030021183.db2.gz JMQZNZZAVKCTRU-CQSZACIVSA-N 1 0 326.396 4.113 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000525858428 1030080581 /nfs/dbraw/zinc/08/05/81/1030080581.db2.gz QFYKRUUHLSCBDX-YVEFUNNKSA-N 1 0 330.359 4.217 20 5 EIBDRO Cc1ccc(-c2ncc(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)s2)o1 ZINC000480454321 1030088260 /nfs/dbraw/zinc/08/82/60/1030088260.db2.gz HSKNWJVRHBIGAV-UHFFFAOYSA-N 1 0 343.408 4.218 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447544873 1030148806 /nfs/dbraw/zinc/14/88/06/1030148806.db2.gz WVGZMJFYBCZSBM-BFUOFWGJSA-N 1 0 326.396 4.332 20 5 EIBDRO O=[N+]([O-])c1ncccc1C[N@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC001168163024 1030190611 /nfs/dbraw/zinc/19/06/11/1030190611.db2.gz AWBNMJFVMYHIHS-UHFFFAOYSA-N 1 0 343.402 4.116 20 5 EIBDRO CO[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000447589127 1030191336 /nfs/dbraw/zinc/19/13/36/1030191336.db2.gz WQIVWYULQPUHCY-MOPGFXCFSA-N 1 0 344.386 4.089 20 5 EIBDRO COC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000447589563 1030191932 /nfs/dbraw/zinc/19/19/32/1030191932.db2.gz YDUDFUYMDRLOJE-OALUTQOASA-N 1 0 344.386 4.089 20 5 EIBDRO COC[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000447589566 1030192891 /nfs/dbraw/zinc/19/28/91/1030192891.db2.gz YDUDFUYMDRLOJE-RTBURBONSA-N 1 0 344.386 4.089 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000530387067 1030356582 /nfs/dbraw/zinc/35/65/82/1030356582.db2.gz JGBNGCNDABONLC-RDTXWAMCSA-N 1 0 326.396 4.386 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000127527391 1030461000 /nfs/dbraw/zinc/46/10/00/1030461000.db2.gz HQUHQGPPRSLPMY-SJLPKXTDSA-N 1 0 346.471 4.387 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000527489328 1030725648 /nfs/dbraw/zinc/72/56/48/1030725648.db2.gz YLHAUVMTUHGALU-SJCJKPOMSA-N 1 0 330.359 4.217 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000530967984 1030820618 /nfs/dbraw/zinc/82/06/18/1030820618.db2.gz JCTDKBJUTFODIY-SFHVURJKSA-N 1 0 344.459 4.329 20 5 EIBDRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000530974167 1030821695 /nfs/dbraw/zinc/82/16/95/1030821695.db2.gz VYZSZCBYYZDQFX-TZMCWYRMSA-N 1 0 330.350 4.362 20 5 EIBDRO CC(C)[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC(C)(C)C1 ZINC000452105409 1030843621 /nfs/dbraw/zinc/84/36/21/1030843621.db2.gz OBDHMAMVXVGNTO-UHFFFAOYSA-N 1 0 344.415 4.044 20 5 EIBDRO Cc1ccc([C@H]2OCCC[C@H]2[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000531282776 1031039086 /nfs/dbraw/zinc/03/90/86/1031039086.db2.gz SQTHFMCCTCXSQZ-UYAOXDASSA-N 1 0 340.423 4.222 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc2ccccc2n1)C1CC1 ZINC000532462388 1031115608 /nfs/dbraw/zinc/11/56/08/1031115608.db2.gz ZJJDUCZVAMXGGQ-HXUWFJFHSA-N 1 0 347.418 4.254 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)CCc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000532487520 1031221848 /nfs/dbraw/zinc/22/18/48/1031221848.db2.gz IRVJNMAVJFEHDR-ZFWWWQNUSA-N 1 0 328.412 4.281 20 5 EIBDRO CC[C@H](c1ccccc1)[N@H+](CC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000532503271 1031225390 /nfs/dbraw/zinc/22/53/90/1031225390.db2.gz BJPLQOOBXCQRDY-QGZVFWFLSA-N 1 0 341.411 4.007 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCCS2)s1 ZINC000531535635 1031341218 /nfs/dbraw/zinc/34/12/18/1031341218.db2.gz NIJJAZVSAUGVSY-GFCCVEGCSA-N 1 0 334.466 4.309 20 5 EIBDRO CC(C)[N@H+](Cc1cc2cccnc2o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000449016753 1031349190 /nfs/dbraw/zinc/34/91/90/1031349190.db2.gz WTEJTWFVLZXUDO-UHFFFAOYSA-N 1 0 325.368 4.147 20 5 EIBDRO CC(C)[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000520183166 1031354142 /nfs/dbraw/zinc/35/41/42/1031354142.db2.gz JGDOMQHOQBCQNR-UHFFFAOYSA-N 1 0 332.375 4.023 20 5 EIBDRO Cc1sc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])nc1C(C)C ZINC000449119894 1031457927 /nfs/dbraw/zinc/45/79/27/1031457927.db2.gz ARHQVZNVZVHKDQ-LBPRGKRZSA-N 1 0 333.457 4.204 20 5 EIBDRO CC(C)Oc1ccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000531687828 1031459798 /nfs/dbraw/zinc/45/97/98/1031459798.db2.gz SSOUMSKGSNAVFK-OAHLLOKOSA-N 1 0 328.412 4.275 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000237491417 1031534097 /nfs/dbraw/zinc/53/40/97/1031534097.db2.gz BXBFTAHTOQCOBF-CABCVRRESA-N 1 0 328.412 4.281 20 5 EIBDRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000449221709 1031554939 /nfs/dbraw/zinc/55/49/39/1031554939.db2.gz AWMMGFVUBJVOIV-YJLNNSPDSA-N 1 0 334.460 4.099 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000449422414 1031738025 /nfs/dbraw/zinc/73/80/25/1031738025.db2.gz DDDMMMNBHOIDRD-CKEIUWERSA-N 1 0 326.396 4.028 20 5 EIBDRO CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@H]1C ZINC000449505630 1031814341 /nfs/dbraw/zinc/81/43/41/1031814341.db2.gz RIDOPOUFCBCPDI-SUMWQHHRSA-N 1 0 346.452 4.180 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000453319325 1031845228 /nfs/dbraw/zinc/84/52/28/1031845228.db2.gz NGVJKEOGWCPPBR-YPMHNXCESA-N 1 0 328.359 4.080 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1nccn1CC ZINC000453353937 1031883425 /nfs/dbraw/zinc/88/34/25/1031883425.db2.gz NYUMIGRUDRBLPH-KGLIPLIRSA-N 1 0 348.472 4.033 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000453355770 1031883779 /nfs/dbraw/zinc/88/37/79/1031883779.db2.gz IRHWBQYYYWSDGW-DZGCQCFKSA-N 1 0 348.472 4.033 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H](c2cccs2)C1 ZINC000449622254 1031884860 /nfs/dbraw/zinc/88/48/60/1031884860.db2.gz JORAXZLGLSPZMZ-UNEWFSDZSA-N 1 0 346.452 4.097 20 5 EIBDRO CC[C@H](COC)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000531969742 1031900281 /nfs/dbraw/zinc/90/02/81/1031900281.db2.gz HCVKHNBLZVZDII-CHWSQXEVSA-N 1 0 334.441 4.399 20 5 EIBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CCOC(C)(C)C2)c2cc([N+](=O)[O-])ccc21 ZINC000453441599 1031970244 /nfs/dbraw/zinc/97/02/44/1031970244.db2.gz WWHRFHMLEIDMJG-GUYCJALGSA-N 1 0 332.444 4.112 20 5 EIBDRO CCC(C)(C)OCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000453617375 1032048243 /nfs/dbraw/zinc/04/82/43/1032048243.db2.gz RFICOFRSTBYEEI-UHFFFAOYSA-N 1 0 349.456 4.013 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCCNc3ccccc32)cc1 ZINC000573487055 1033379007 /nfs/dbraw/zinc/37/90/07/1033379007.db2.gz XXXXWEZOSBXTDM-HXUWFJFHSA-N 1 0 339.439 4.454 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1 ZINC000432946010 1033476679 /nfs/dbraw/zinc/47/66/79/1033476679.db2.gz VUUKTERHBXGJLZ-INIZCTEOSA-N 1 0 327.384 4.032 20 5 EIBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000512643514 1033598509 /nfs/dbraw/zinc/59/85/09/1033598509.db2.gz DMZRZZMACMCFLU-QWHCGFSZSA-N 1 0 331.441 4.339 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000512682938 1033700198 /nfs/dbraw/zinc/70/01/98/1033700198.db2.gz KRJCIMFYYYTHEW-QPJJXVBHSA-N 1 0 338.407 4.226 20 5 EIBDRO Cc1ccc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)cc1[N+](=O)[O-] ZINC000512691035 1033722446 /nfs/dbraw/zinc/72/24/46/1033722446.db2.gz QZIUEBNPLWSLPX-UHFFFAOYSA-N 1 0 326.396 4.021 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000453271781 1033751413 /nfs/dbraw/zinc/75/14/13/1033751413.db2.gz RPJRAXAJPZXDPI-JKIFEVAISA-N 1 0 326.396 4.466 20 5 EIBDRO C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000433083805 1033816840 /nfs/dbraw/zinc/81/68/40/1033816840.db2.gz PARHBEHXEHPCCH-IRXDYDNUSA-N 1 0 339.439 4.162 20 5 EIBDRO COCc1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433157654 1033954921 /nfs/dbraw/zinc/95/49/21/1033954921.db2.gz NGLDKCJWGROYCD-IBGZPJMESA-N 1 0 340.423 4.253 20 5 EIBDRO CC1(C)C[C@H]([NH2+]CCC[C@H]2CCCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433239813 1034075751 /nfs/dbraw/zinc/07/57/51/1034075751.db2.gz LZDILCONDOPCIW-QAPCUYQASA-N 1 0 332.444 4.256 20 5 EIBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000512863885 1034075947 /nfs/dbraw/zinc/07/59/47/1034075947.db2.gz HLCNTTHYKMLYLB-XHDPSFHLSA-N 1 0 334.466 4.164 20 5 EIBDRO CC1(C)C[C@H]([NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433238059 1034077387 /nfs/dbraw/zinc/07/73/87/1034077387.db2.gz CVUSXASWTZTSHT-CMKODMSKSA-N 1 0 344.455 4.112 20 5 EIBDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000512896561 1034141186 /nfs/dbraw/zinc/14/11/86/1034141186.db2.gz VUWDCIPDQJSJQQ-ZFWWWQNUSA-N 1 0 346.452 4.086 20 5 EIBDRO CCc1cnc(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000433294629 1034185154 /nfs/dbraw/zinc/18/51/54/1034185154.db2.gz MYOUOXCMOYOVHO-MRXNPFEDSA-N 1 0 345.468 4.168 20 5 EIBDRO CC(C)c1ccc(C[NH2+]CC2(c3ccccn3)CCC2)cc1[N+](=O)[O-] ZINC000512994004 1034299919 /nfs/dbraw/zinc/29/99/19/1034299919.db2.gz WGXGHYJUSOSWPY-UHFFFAOYSA-N 1 0 339.439 4.325 20 5 EIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccc(Br)c1 ZINC000404213636 1035009730 /nfs/dbraw/zinc/00/97/30/1035009730.db2.gz RKEPKXASHZMFTQ-UHFFFAOYSA-N 1 0 349.228 4.032 20 5 EIBDRO CCn1ccc(C[N@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000616737759 1035330955 /nfs/dbraw/zinc/33/09/55/1035330955.db2.gz RMGKOOOSTIVLAU-UHFFFAOYSA-N 1 0 339.395 4.308 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCc2c1cccc2C ZINC000595012153 1035505388 /nfs/dbraw/zinc/50/53/88/1035505388.db2.gz CCNRGAOEKHYMCQ-SCLBCKFNSA-N 1 0 326.396 4.250 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCCCC1(F)F ZINC000595039722 1035563411 /nfs/dbraw/zinc/56/34/11/1035563411.db2.gz BGCKXPLVUQIIJH-VXGBXAGGSA-N 1 0 328.359 4.080 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000595039944 1035563518 /nfs/dbraw/zinc/56/35/18/1035563518.db2.gz IHTGIOADSNHSPT-GXFFZTMASA-N 1 0 334.338 4.231 20 5 EIBDRO C[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000595047162 1035567034 /nfs/dbraw/zinc/56/70/34/1035567034.db2.gz BAXFPXUIUKXVIE-ACJLOTCBSA-N 1 0 325.412 4.106 20 5 EIBDRO CC[NH+](CC)C[C@H](C)N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491039049 1035780636 /nfs/dbraw/zinc/78/06/36/1035780636.db2.gz QSNLSDGVOJVIMJ-OXJNMPFZSA-N 1 0 341.455 4.004 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC2(C=Cc3ccccc3O2)CC1 ZINC000595879539 1035802842 /nfs/dbraw/zinc/80/28/42/1035802842.db2.gz SMZZNTOAADSDBO-UHFFFAOYSA-N 1 0 336.391 4.035 20 5 EIBDRO O=[N+]([O-])c1cc(F)ccc1NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000060082188 1035851915 /nfs/dbraw/zinc/85/19/15/1035851915.db2.gz KNPMSHJPQSTGSO-UHFFFAOYSA-N 1 0 343.402 4.058 20 5 EIBDRO COc1cc(C[N@@H+]2CCC[C@H]2c2ccc(C)s2)ccc1[N+](=O)[O-] ZINC000485459154 1035893423 /nfs/dbraw/zinc/89/34/23/1035893423.db2.gz WMIZBNMHBJMRGL-HNNXBMFYSA-N 1 0 332.425 4.310 20 5 EIBDRO CCC[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000596649047 1035959937 /nfs/dbraw/zinc/95/99/37/1035959937.db2.gz ALXPSFIWXNITFB-RTBURBONSA-N 1 0 325.412 4.295 20 5 EIBDRO CC(C)c1ccc(C[NH+]2CCC(c3ccon3)CC2)cc1[N+](=O)[O-] ZINC000597230085 1036162791 /nfs/dbraw/zinc/16/27/91/1036162791.db2.gz VDJHOOILLFHWRG-UHFFFAOYSA-N 1 0 329.400 4.086 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc3ncsc3c2)cc1[N+](=O)[O-] ZINC000485692471 1036172732 /nfs/dbraw/zinc/17/27/32/1036172732.db2.gz FSEDOFWUQAYSBW-NSHDSACASA-N 1 0 343.408 4.064 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(OCCC(C)C)CC1 ZINC000485710464 1036187765 /nfs/dbraw/zinc/18/77/65/1036187765.db2.gz SJAJVRZQUCKIAU-MRXNPFEDSA-N 1 0 334.460 4.491 20 5 EIBDRO CC[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000588232544 1036306389 /nfs/dbraw/zinc/30/63/89/1036306389.db2.gz MOYCKKCSJCFPFJ-YJBOKZPZSA-N 1 0 348.830 4.065 20 5 EIBDRO CCC[NH+](CCC)CCCC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000597665855 1036312234 /nfs/dbraw/zinc/31/22/34/1036312234.db2.gz GWUCMGURAJPZQR-UHFFFAOYSA-N 1 0 335.448 4.052 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC12CCSCC2 ZINC000421384221 1036342859 /nfs/dbraw/zinc/34/28/59/1036342859.db2.gz OYMGWVCLNPBWSU-SCZPIIQISA-N 1 0 332.469 4.121 20 5 EIBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)c1ccco1 ZINC000485922419 1036369059 /nfs/dbraw/zinc/36/90/59/1036369059.db2.gz SBJCOYDVEGLQAB-OAHLLOKOSA-N 1 0 347.415 4.080 20 5 EIBDRO COC1CCC([N@H+](C)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602470200 1036459638 /nfs/dbraw/zinc/45/96/38/1036459638.db2.gz XKFXAVIWRJRHTJ-UHFFFAOYSA-N 1 0 346.349 4.003 20 5 EIBDRO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602576875 1036508167 /nfs/dbraw/zinc/50/81/67/1036508167.db2.gz CNYHUTZCEWUPBJ-HXPMCKFVSA-N 1 0 337.379 4.149 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602888767 1036661066 /nfs/dbraw/zinc/66/10/66/1036661066.db2.gz RCUBUGXLDQZFBA-YOEHRIQHSA-N 1 0 348.406 4.089 20 5 EIBDRO Cc1n[nH]c(C)c1[C@H]1CCCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000589200108 1036706761 /nfs/dbraw/zinc/70/67/61/1036706761.db2.gz QKTNUSGEBSLHAU-QGZVFWFLSA-N 1 0 346.406 4.191 20 5 EIBDRO CC(C)[N@H+](Cc1cc2cnccc2o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000593568191 1036708780 /nfs/dbraw/zinc/70/87/80/1036708780.db2.gz VAVJOYVTCOBYOJ-UHFFFAOYSA-N 1 0 325.368 4.147 20 5 EIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1Cl ZINC000421836019 1036796458 /nfs/dbraw/zinc/79/64/58/1036796458.db2.gz GGNMHHBCVYLXLJ-SNVBAGLBSA-N 1 0 340.210 4.190 20 5 EIBDRO CC[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000421854258 1036808161 /nfs/dbraw/zinc/80/81/61/1036808161.db2.gz KHUZAPWTVLZMDG-RLLQIKCJSA-N 1 0 340.423 4.231 20 5 EIBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccncc1Cl ZINC000421841662 1036820231 /nfs/dbraw/zinc/82/02/31/1036820231.db2.gz JIDYJFOEPSIXNY-ZDUSSCGKSA-N 1 0 333.819 4.317 20 5 EIBDRO COc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(F)c1 ZINC000421847672 1036823337 /nfs/dbraw/zinc/82/33/37/1036823337.db2.gz YCCCISNJMKGGDH-SFHVURJKSA-N 1 0 332.375 4.229 20 5 EIBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000598962039 1036828394 /nfs/dbraw/zinc/82/83/94/1036828394.db2.gz QXVVZMQSVQSHTL-UHFFFAOYSA-N 1 0 330.331 4.007 20 5 EIBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000486780498 1036851364 /nfs/dbraw/zinc/85/13/64/1036851364.db2.gz VMPZCYFKJDFLQR-XJKSGUPXSA-N 1 0 344.415 4.045 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(CC4(F)F)C3)o2)cc1 ZINC000593695251 1036900242 /nfs/dbraw/zinc/90/02/42/1036900242.db2.gz ISQVKTZOXUCOKH-MRXNPFEDSA-N 1 0 334.322 4.086 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)o1 ZINC000593695616 1036900331 /nfs/dbraw/zinc/90/03/31/1036900331.db2.gz SMYRNIROXJAPPG-INIZCTEOSA-N 1 0 334.322 4.086 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccc2[nH]ccc21 ZINC000503125256 1036923820 /nfs/dbraw/zinc/92/38/20/1036923820.db2.gz WOFAJURGSXGOHB-HNNXBMFYSA-N 1 0 337.423 4.230 20 5 EIBDRO CC[NH+](CC)[C@H](CNc1cccnc1[N+](=O)[O-])c1ccccc1Cl ZINC000603839061 1037022184 /nfs/dbraw/zinc/02/21/84/1037022184.db2.gz LLYIUEYFKGUKGA-MRXNPFEDSA-N 1 0 348.834 4.138 20 5 EIBDRO Cc1cc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000603837633 1037031308 /nfs/dbraw/zinc/03/13/08/1037031308.db2.gz XAFVTCDHTKKETD-KRWDZBQOSA-N 1 0 329.400 4.135 20 5 EIBDRO C[N@H+](CCCOc1cccc(Cl)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000603869739 1037065594 /nfs/dbraw/zinc/06/55/94/1037065594.db2.gz GIWBISQNXPCODO-UHFFFAOYSA-N 1 0 334.803 4.149 20 5 EIBDRO COc1ccc(C[N@H+](C)[C@@H](C)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000604081310 1037185868 /nfs/dbraw/zinc/18/58/68/1037185868.db2.gz MEACQXYZDUKZSE-HNNXBMFYSA-N 1 0 328.412 4.413 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC4(CC(F)C4)C3)s2)cc1 ZINC000590969248 1037218729 /nfs/dbraw/zinc/21/87/29/1037218729.db2.gz AECUTRLEEKAQRD-UHFFFAOYSA-N 1 0 332.400 4.257 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCc1nc2ccccc2s1 ZINC000074804899 1037268172 /nfs/dbraw/zinc/26/81/72/1037268172.db2.gz JMJMEBGUTZLNCX-FNORWQNLSA-N 1 0 339.420 4.050 20 5 EIBDRO O=[N+]([O-])c1ccc(CNCc2ccc3ncccc3c2)c(Cl)c1 ZINC000183806093 1037270903 /nfs/dbraw/zinc/27/09/03/1037270903.db2.gz RYLHEMHYOIVZIF-UHFFFAOYSA-N 1 0 327.771 4.086 20 5 EIBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])s1)c1ccsc1 ZINC000604409255 1037364733 /nfs/dbraw/zinc/36/47/33/1037364733.db2.gz KSDPGADILZWROS-GFCCVEGCSA-N 1 0 325.459 4.213 20 5 EIBDRO COc1ccc2cc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000058093430 1037484080 /nfs/dbraw/zinc/48/40/80/1037484080.db2.gz YHANWRBVYLVCJE-UHFFFAOYSA-N 1 0 336.391 4.089 20 5 EIBDRO C[C@@H]1CSCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000488400438 1037566503 /nfs/dbraw/zinc/56/65/03/1037566503.db2.gz TUJFUWWRUVGEIX-ZDUSSCGKSA-N 1 0 332.425 4.040 20 5 EIBDRO COc1ccccc1C1([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000592394402 1037785740 /nfs/dbraw/zinc/78/57/40/1037785740.db2.gz NQTFGOOSFVAZBV-AWEZNQCLSA-N 1 0 326.396 4.252 20 5 EIBDRO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCC[C@H]1C ZINC000249397315 1037794943 /nfs/dbraw/zinc/79/49/43/1037794943.db2.gz RYZGCZHFJPZFCR-CZUORRHYSA-N 1 0 344.415 4.045 20 5 EIBDRO CCC[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000503858867 1037944960 /nfs/dbraw/zinc/94/49/60/1037944960.db2.gz SIEOYSJFTTXVIN-MSOLQXFVSA-N 1 0 332.444 4.375 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCCOC1 ZINC000503903444 1037974181 /nfs/dbraw/zinc/97/41/81/1037974181.db2.gz SOPQJPSSEIZPSN-KBPBESRZSA-N 1 0 346.452 4.228 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCCOC1 ZINC000503903452 1037975550 /nfs/dbraw/zinc/97/55/50/1037975550.db2.gz SOPQJPSSEIZPSN-ZIAGYGMSSA-N 1 0 346.452 4.228 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000503951127 1038041425 /nfs/dbraw/zinc/04/14/25/1038041425.db2.gz DOJKPPKXTUDJBC-XNRPHZJLSA-N 1 0 342.386 4.056 20 5 EIBDRO Nc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423356085 1038168404 /nfs/dbraw/zinc/16/84/04/1038168404.db2.gz PXAKJCQUGSZPFL-UXHICEINSA-N 1 0 337.423 4.222 20 5 EIBDRO CC[C@H]([NH2+]Cc1cccc2c1CCCN2)c1cccc([N+](=O)[O-])c1 ZINC000423414944 1038222479 /nfs/dbraw/zinc/22/24/79/1038222479.db2.gz OFWAYTIJIWRRIO-SFHVURJKSA-N 1 0 325.412 4.194 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)CCCN3)CCC2 ZINC000423453082 1038252427 /nfs/dbraw/zinc/25/24/27/1038252427.db2.gz XDIMUINNJXLKOD-FQEVSTJZSA-N 1 0 337.423 4.120 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C3CC(C(F)(F)F)C3)o2)c1 ZINC000574551701 1038303118 /nfs/dbraw/zinc/30/31/18/1038303118.db2.gz PGHOQENEKATIQF-UHFFFAOYSA-N 1 0 340.301 4.285 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CSCc2ccccc21 ZINC000594493460 1038343825 /nfs/dbraw/zinc/34/38/25/1038343825.db2.gz PLRAHQMMEDWZKE-DLBZAZTESA-N 1 0 326.421 4.160 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000594513365 1038358546 /nfs/dbraw/zinc/35/85/46/1038358546.db2.gz NEVUIQYNKHTRIH-QGZVFWFLSA-N 1 0 326.371 4.390 20 5 EIBDRO COc1ccc(CC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000504482458 1038381764 /nfs/dbraw/zinc/38/17/64/1038381764.db2.gz FBPNWXIBFGCPQC-UHFFFAOYSA-N 1 0 340.423 4.058 20 5 EIBDRO CCc1cccc2cc(C[NH2+]Cc3ccc(OC)c([N+](=O)[O-])c3)oc21 ZINC000594918413 1038424882 /nfs/dbraw/zinc/42/48/82/1038424882.db2.gz QYNUJORZENMJOQ-UHFFFAOYSA-N 1 0 340.379 4.202 20 5 EIBDRO CC[C@](C)([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000594979307 1038481721 /nfs/dbraw/zinc/48/17/21/1038481721.db2.gz IYBBAQGVQDMIII-KRWDZBQOSA-N 1 0 331.441 4.387 20 5 EIBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000539038054 1038793522 /nfs/dbraw/zinc/79/35/22/1038793522.db2.gz RLQGHNWMTUKDLM-UIXUWTQFSA-N 1 0 346.471 4.099 20 5 EIBDRO Cc1cc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461935719 1038838106 /nfs/dbraw/zinc/83/81/06/1038838106.db2.gz KQBJPGONPVGCEV-ZIAGYGMSSA-N 1 0 335.423 4.107 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[C@H]1CCCO1 ZINC000504894653 1038841066 /nfs/dbraw/zinc/84/10/66/1038841066.db2.gz NODKLVHXVRQDNE-RRFJBIMHSA-N 1 0 338.473 4.013 20 5 EIBDRO CCOc1ccc(C(C)=O)cc1CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000539328026 1038992968 /nfs/dbraw/zinc/99/29/68/1038992968.db2.gz NJFUAPNBKCCTGY-ZDUSSCGKSA-N 1 0 342.395 4.047 20 5 EIBDRO COc1ccc(CCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000481052374 1038995197 /nfs/dbraw/zinc/99/51/97/1038995197.db2.gz YPBHWPOCEYDRAT-HNNXBMFYSA-N 1 0 328.412 4.195 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC1C[C@H](C)O[C@@H](C)C1 ZINC000555226465 1038995294 /nfs/dbraw/zinc/99/52/94/1038995294.db2.gz WBEVLIUGSWDTQT-PMPSAXMXSA-N 1 0 334.460 4.099 20 5 EIBDRO C[C@H]1CCC[C@H](C)[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534121138 1039121616 /nfs/dbraw/zinc/12/16/16/1039121616.db2.gz JXACGSOSAOVDPI-KBPBESRZSA-N 1 0 329.400 4.260 20 5 EIBDRO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534121141 1039121986 /nfs/dbraw/zinc/12/19/86/1039121986.db2.gz JXACGSOSAOVDPI-ZIAGYGMSSA-N 1 0 329.400 4.260 20 5 EIBDRO COC1CCC(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000513825510 1039325152 /nfs/dbraw/zinc/32/51/52/1039325152.db2.gz DNMWHYMBRFJROM-JZRYZNKLSA-N 1 0 346.471 4.101 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1 ZINC000478383219 1039732580 /nfs/dbraw/zinc/73/25/80/1039732580.db2.gz JLFWHGGBSOBSPR-MFKMUULPSA-N 1 0 334.313 4.192 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481707044 1039762491 /nfs/dbraw/zinc/76/24/91/1039762491.db2.gz MLEHOYKOORONNB-MGPUTAFESA-N 1 0 338.407 4.177 20 5 EIBDRO CCc1ccc([C@H](N[C@@H]2CCC[C@@H]2F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000550931320 1039837030 /nfs/dbraw/zinc/83/70/30/1039837030.db2.gz QERGIUDKLKFCMM-LZLYRXPVSA-N 1 0 332.375 4.320 20 5 EIBDRO CC(C)c1ccc(CN(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000434837509 1039881754 /nfs/dbraw/zinc/88/17/54/1039881754.db2.gz UJGGJIVDGFCQOG-UHFFFAOYSA-N 1 0 339.395 4.491 20 5 EIBDRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000481952374 1039908635 /nfs/dbraw/zinc/90/86/35/1039908635.db2.gz URMLTJIVSHAMJQ-JXFKEZNVSA-N 1 0 341.455 4.165 20 5 EIBDRO CCN(CC)[C@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000481951086 1039909532 /nfs/dbraw/zinc/90/95/32/1039909532.db2.gz GFOOMVRFMURAQI-CRAIPNDOSA-N 1 0 345.443 4.230 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000482003344 1039945520 /nfs/dbraw/zinc/94/55/20/1039945520.db2.gz SWZLTKRCGMGWPH-SFHVURJKSA-N 1 0 345.830 4.317 20 5 EIBDRO CC[NH+](CC)Cc1cccc(CNc2ncc(Cl)cc2[N+](=O)[O-])c1 ZINC000434957234 1039956387 /nfs/dbraw/zinc/95/63/87/1039956387.db2.gz ZKSFBPRDGWELQB-UHFFFAOYSA-N 1 0 348.834 4.097 20 5 EIBDRO COc1cc(C[NH2+]C(C)(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000128252255 1040141487 /nfs/dbraw/zinc/14/14/87/1040141487.db2.gz QTNISAJCEQFARC-UHFFFAOYSA-N 1 0 344.411 4.071 20 5 EIBDRO COCCC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000442763821 1040294842 /nfs/dbraw/zinc/29/48/42/1040294842.db2.gz GZDZWKYZCFLFGY-SFHVURJKSA-N 1 0 346.402 4.034 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc(OC(C)C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000160076362 1040329461 /nfs/dbraw/zinc/32/94/61/1040329461.db2.gz UDQPTRGHANNFMY-QGZVFWFLSA-N 1 0 329.400 4.018 20 5 EIBDRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000551535468 1040392417 /nfs/dbraw/zinc/39/24/17/1040392417.db2.gz XAWXUFSQZFSRDE-AFHBHXEDSA-N 1 0 340.423 4.446 20 5 EIBDRO CCCOc1ccc(C[NH2+][C@@H](CCC)c2cccc([N+](=O)[O-])c2)cn1 ZINC000482638035 1040411186 /nfs/dbraw/zinc/41/11/86/1040411186.db2.gz CHIXVARYTKYFCJ-SFHVURJKSA-N 1 0 343.427 4.410 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CC3CC3)C3CCCCC3)nc2c1 ZINC000482686929 1040428665 /nfs/dbraw/zinc/42/86/65/1040428665.db2.gz BGAYEUMJAANHIR-UHFFFAOYSA-N 1 0 328.416 4.016 20 5 EIBDRO CSCCCCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000479602945 1040501746 /nfs/dbraw/zinc/50/17/46/1040501746.db2.gz YYMHMRCHFOKIIC-UHFFFAOYSA-N 1 0 334.441 4.478 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)co2)cc1 ZINC000089905730 1040593476 /nfs/dbraw/zinc/59/34/76/1040593476.db2.gz SHHYSXSLWGOPJG-GUYCJALGSA-N 1 0 327.384 4.014 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3F)C2)c(Cl)c1 ZINC000435783033 1040631888 /nfs/dbraw/zinc/63/18/88/1040631888.db2.gz SQMFTKRVGBHOOP-JOCQHMNTSA-N 1 0 334.778 4.423 20 5 EIBDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000192789315 1040660807 /nfs/dbraw/zinc/66/08/07/1040660807.db2.gz RPHMXXZBRRTGKN-UONOGXRCSA-N 1 0 344.411 4.332 20 5 EIBDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000192789287 1040662331 /nfs/dbraw/zinc/66/23/31/1040662331.db2.gz RPHMXXZBRRTGKN-KBPBESRZSA-N 1 0 344.411 4.332 20 5 EIBDRO CS[C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000483183005 1040754434 /nfs/dbraw/zinc/75/44/34/1040754434.db2.gz MRXAXGMPGZQPSF-GVDBMIGSSA-N 1 0 334.485 4.180 20 5 EIBDRO Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000443213139 1040756697 /nfs/dbraw/zinc/75/66/97/1040756697.db2.gz GHRPOSPOPJEOCD-GUXCAODWSA-N 1 0 341.455 4.245 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CCCO)c1ccccc1 ZINC000160789552 1040756834 /nfs/dbraw/zinc/75/68/34/1040756834.db2.gz IGBVJBZIRFEIID-HNAYVOBHSA-N 1 0 328.412 4.068 20 5 EIBDRO CCCOc1ccc(C(C)(C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000483282475 1040804836 /nfs/dbraw/zinc/80/48/36/1040804836.db2.gz FRIBKQGWDMDNNW-UHFFFAOYSA-N 1 0 328.412 4.409 20 5 EIBDRO Cc1ccc2c(c1)C[N@@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000483332349 1040817609 /nfs/dbraw/zinc/81/76/09/1040817609.db2.gz BFJDSKWHZWJUIB-UHFFFAOYSA-N 1 0 349.390 4.117 20 5 EIBDRO C[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000537775801 1040830863 /nfs/dbraw/zinc/83/08/63/1040830863.db2.gz RWQDOEGCORIONE-UONOGXRCSA-N 1 0 346.452 4.228 20 5 EIBDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000515539441 1040839896 /nfs/dbraw/zinc/83/98/96/1040839896.db2.gz PEMFRHBZABHAOW-IBGZPJMESA-N 1 0 326.396 4.249 20 5 EIBDRO C[C@@H]1CCSCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000483416152 1040847967 /nfs/dbraw/zinc/84/79/67/1040847967.db2.gz GRTZLNSEHNIGLZ-CYBMUJFWSA-N 1 0 332.425 4.182 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](c1ccccc1)[C@H](O)C(C)C ZINC000595096341 1040881401 /nfs/dbraw/zinc/88/14/01/1040881401.db2.gz JOKQQKWHAOEMDM-CWFSZBLJSA-N 1 0 342.439 4.312 20 5 EIBDRO C[C@H]([NH2+]CCOCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537939114 1040901623 /nfs/dbraw/zinc/90/16/23/1040901623.db2.gz DBVFZMYFCZZFPI-ZDUSSCGKSA-N 1 0 334.803 4.116 20 5 EIBDRO CCC(=O)c1ccc(NC2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000480070467 1040916205 /nfs/dbraw/zinc/91/62/05/1040916205.db2.gz NWITVUVIVHRHPL-UHFFFAOYSA-N 1 0 345.443 4.006 20 5 EIBDRO COc1ccc(O[C@@H](C)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000483637426 1040936601 /nfs/dbraw/zinc/93/66/01/1040936601.db2.gz PAYZLBBTBZQUGW-LSDHHAIUSA-N 1 0 344.411 4.030 20 5 EIBDRO Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537976858 1040945077 /nfs/dbraw/zinc/94/50/77/1040945077.db2.gz LRRHFQHZABNWOA-WMLDXEAASA-N 1 0 326.396 4.304 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1COc2c1ccc(C)c2C)c1cccc([N+](=O)[O-])c1 ZINC000537977663 1040947316 /nfs/dbraw/zinc/94/73/16/1040947316.db2.gz PDNXYTRRUDZSCG-ZWKOTPCHSA-N 1 0 326.396 4.386 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000537973641 1040976247 /nfs/dbraw/zinc/97/62/47/1040976247.db2.gz TWLVJXBMVAZUDA-QGZVFWFLSA-N 1 0 344.411 4.243 20 5 EIBDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)CCS2 ZINC000903286704 1041008089 /nfs/dbraw/zinc/00/80/89/1041008089.db2.gz FHHGPEJTZYWYIQ-PXAZEXFGSA-N 1 0 344.436 4.491 20 5 EIBDRO C[C@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000436286761 1041040321 /nfs/dbraw/zinc/04/03/21/1041040321.db2.gz BBWJVWFBDSZYNO-KXBFYZLASA-N 1 0 331.460 4.043 20 5 EIBDRO CCCCn1cc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000538115753 1041065541 /nfs/dbraw/zinc/06/55/41/1041065541.db2.gz BTIHPLJXRFVHCA-HNNXBMFYSA-N 1 0 344.459 4.011 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)c1ccccc1[N+](=O)[O-] ZINC000538158217 1041099675 /nfs/dbraw/zinc/09/96/75/1041099675.db2.gz DOERZYRWTDRDMX-HUUCEWRRSA-N 1 0 336.395 4.192 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000540148976 1041174614 /nfs/dbraw/zinc/17/46/14/1041174614.db2.gz FXEPHJHWTBFRMW-VFVRVIDISA-N 1 0 332.375 4.161 20 5 EIBDRO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000484345372 1041218297 /nfs/dbraw/zinc/21/82/97/1041218297.db2.gz ZKXOINOJCGQPCS-CQSZACIVSA-N 1 0 330.350 4.048 20 5 EIBDRO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000484345371 1041218805 /nfs/dbraw/zinc/21/88/05/1041218805.db2.gz ZKXOINOJCGQPCS-AWEZNQCLSA-N 1 0 330.350 4.048 20 5 EIBDRO CCOc1cccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000540164538 1041229535 /nfs/dbraw/zinc/22/95/35/1041229535.db2.gz SUCRJCYISLIIEM-HNNXBMFYSA-N 1 0 328.412 4.195 20 5 EIBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000540189165 1041235339 /nfs/dbraw/zinc/23/53/39/1041235339.db2.gz YGVOOTFBPGJYCZ-OLZOCXBDSA-N 1 0 334.803 4.366 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425554045 1041251401 /nfs/dbraw/zinc/25/14/01/1041251401.db2.gz NVNCMZAVJALWFT-DNVCBOLYSA-N 1 0 344.455 4.245 20 5 EIBDRO COc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1C ZINC000436482788 1041265316 /nfs/dbraw/zinc/26/53/16/1041265316.db2.gz BRAQAGRPKMWFFY-UHFFFAOYSA-N 1 0 326.396 4.076 20 5 EIBDRO CCCCOc1ccccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000480446328 1041307951 /nfs/dbraw/zinc/30/79/51/1041307951.db2.gz QEGGCYLRVMLYLM-UHFFFAOYSA-N 1 0 328.412 4.372 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000538419713 1041321376 /nfs/dbraw/zinc/32/13/76/1041321376.db2.gz XIPYNXONVARECF-HWKANZROSA-N 1 0 345.402 4.460 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccncc2CC)cc1[N+](=O)[O-] ZINC000540315379 1041363025 /nfs/dbraw/zinc/36/30/25/1041363025.db2.gz DVJMEHRZUCPRLH-KGLIPLIRSA-N 1 0 343.427 4.363 20 5 EIBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540324575 1041382476 /nfs/dbraw/zinc/38/24/76/1041382476.db2.gz BTELTJLNFBWJMB-CXAGYDPISA-N 1 0 346.452 4.228 20 5 EIBDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000538581201 1041433240 /nfs/dbraw/zinc/43/32/40/1041433240.db2.gz KJULLAAIIBAZFN-QRVBRYPASA-N 1 0 346.471 4.099 20 5 EIBDRO C[C@H](C1CCCCC1)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000554839356 1041450902 /nfs/dbraw/zinc/45/09/02/1041450902.db2.gz MQLDJPZPIJJGNR-CYBMUJFWSA-N 1 0 344.415 4.045 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2COc3ccccc32)c2cc([N+](=O)[O-])ccc21 ZINC000516268543 1041491731 /nfs/dbraw/zinc/49/17/31/1041491731.db2.gz IFMJNVCOMGYOOP-SCLBCKFNSA-N 1 0 338.407 4.083 20 5 EIBDRO CCC[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000538752063 1041528271 /nfs/dbraw/zinc/52/82/71/1041528271.db2.gz GNLYGXDRXRIFOW-HNNXBMFYSA-N 1 0 342.443 4.007 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540605425 1041558761 /nfs/dbraw/zinc/55/87/61/1041558761.db2.gz FRMIKZUHCMLIIB-LPMFXHHGSA-N 1 0 346.402 4.469 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000540645958 1041585539 /nfs/dbraw/zinc/58/55/39/1041585539.db2.gz RNTJWMCFSZRPQX-AZUGHTJHSA-N 1 0 344.386 4.113 20 5 EIBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000460346856 1041795280 /nfs/dbraw/zinc/79/52/80/1041795280.db2.gz LJBWZNQTVCKQNH-CJNGLKHVSA-N 1 0 344.415 4.093 20 5 EIBDRO Cc1[nH+]c2c(n1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CCCC2 ZINC000517176727 1041891176 /nfs/dbraw/zinc/89/11/76/1041891176.db2.gz QSVZNJJZIGKYCJ-UHFFFAOYSA-N 1 0 339.317 4.046 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCCCS3)cs2)c1 ZINC000541376827 1041918532 /nfs/dbraw/zinc/91/85/32/1041918532.db2.gz CMMARHCJZCOZNK-OAHLLOKOSA-N 1 0 349.481 4.094 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCCCS2)o1 ZINC000541379921 1041919249 /nfs/dbraw/zinc/91/92/49/1041919249.db2.gz CTXXSTHMCDWOGB-CQSZACIVSA-N 1 0 332.425 4.230 20 5 EIBDRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000467366658 1042036584 /nfs/dbraw/zinc/03/65/84/1042036584.db2.gz WGLGBDWHTHDHKT-QZTJIDSGSA-N 1 0 339.439 4.157 20 5 EIBDRO COc1ccccc1CC(C)(C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000237139889 1042037966 /nfs/dbraw/zinc/03/79/66/1042037966.db2.gz BJENOIJXCDIIQQ-UHFFFAOYSA-N 1 0 328.412 4.023 20 5 EIBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000464769627 1042149313 /nfs/dbraw/zinc/14/93/13/1042149313.db2.gz IJWFSTUJIRNXCK-KBPBESRZSA-N 1 0 328.865 4.354 20 5 EIBDRO CO[C@]1(C)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000550000090 1042156297 /nfs/dbraw/zinc/15/62/97/1042156297.db2.gz NVPFCECKBJCCHA-OAHLLOKOSA-N 1 0 346.349 4.005 20 5 EIBDRO C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](c2ccco2)C1 ZINC000464850632 1042197363 /nfs/dbraw/zinc/19/73/63/1042197363.db2.gz IMVDIPQBGWXDER-YOEHRIQHSA-N 1 0 330.384 4.040 20 5 EIBDRO C[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)C1 ZINC000443647019 1042215711 /nfs/dbraw/zinc/21/57/11/1042215711.db2.gz DCKFXUUDWJZZCP-LSDHHAIUSA-N 1 0 343.427 4.160 20 5 EIBDRO COCCCC[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000052798182 1042449622 /nfs/dbraw/zinc/44/96/22/1042449622.db2.gz ZNNVAMQMDWWTMA-UHFFFAOYSA-N 1 0 328.412 4.024 20 5 EIBDRO C[C@H](C[C@@H]1CCCO1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000518279427 1042451032 /nfs/dbraw/zinc/45/10/32/1042451032.db2.gz VGWPQNMAWUUAAB-CJNGLKHVSA-N 1 0 346.452 4.371 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506482775 1042497111 /nfs/dbraw/zinc/49/71/11/1042497111.db2.gz UOXDJYWZXZCNFT-KURKYZTESA-N 1 0 345.487 4.242 20 5 EIBDRO CCOc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1F ZINC000492241201 1042588389 /nfs/dbraw/zinc/58/83/89/1042588389.db2.gz OMDXLVGTFPGTCQ-UHFFFAOYSA-N 1 0 332.375 4.158 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000015291621 1042616415 /nfs/dbraw/zinc/61/64/15/1042616415.db2.gz KPERQMLBOFQQMM-GOSISDBHSA-N 1 0 326.396 4.113 20 5 EIBDRO CSc1ccc([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000439485926 1042660539 /nfs/dbraw/zinc/66/05/39/1042660539.db2.gz LOWKJHRLQCAKEX-CYBMUJFWSA-N 1 0 332.425 4.046 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000506639292 1042718843 /nfs/dbraw/zinc/71/88/43/1042718843.db2.gz ITYZIWAXIWQBSV-HWKANZROSA-N 1 0 338.407 4.193 20 5 EIBDRO CCOc1cc(C[NH2+][C@H](C)c2c(C)cccc2C)ccc1[N+](=O)[O-] ZINC000492842821 1042761265 /nfs/dbraw/zinc/76/12/65/1042761265.db2.gz AKFPAUQDFUYJKW-OAHLLOKOSA-N 1 0 328.412 4.461 20 5 EIBDRO CCS[C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761527277 1042875926 /nfs/dbraw/zinc/87/59/26/1042875926.db2.gz REWXTMCNUSJQLR-QWHCGFSZSA-N 1 0 328.865 4.402 20 5 EIBDRO COc1cccc(C2([NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)c1 ZINC000761528518 1042876559 /nfs/dbraw/zinc/87/65/59/1042876559.db2.gz WAGKBZSJOUTMBW-UHFFFAOYSA-N 1 0 332.787 4.036 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000152535020 1043020289 /nfs/dbraw/zinc/02/02/89/1043020289.db2.gz XYJGKHRQRBWPOQ-SJORKVTESA-N 1 0 339.439 4.080 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1C[C@H](C)O[C@@H](C)C1 ZINC000554936824 1043054570 /nfs/dbraw/zinc/05/45/70/1043054570.db2.gz ANCPHIJRDAWOPM-RPZAIAHZSA-N 1 0 332.444 4.181 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000073693273 1043236703 /nfs/dbraw/zinc/23/67/03/1043236703.db2.gz YAPUVKMXSYFIDE-LLVKDONJSA-N 1 0 340.301 4.344 20 5 EIBDRO CCSc1cc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])ccn1 ZINC000427883490 1043249141 /nfs/dbraw/zinc/24/91/41/1043249141.db2.gz CLQGGMOWNLFWAV-CQSZACIVSA-N 1 0 345.468 4.213 20 5 EIBDRO CC[C@@H]([NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000133792319 1043304357 /nfs/dbraw/zinc/30/43/57/1043304357.db2.gz PQQJTGFXTHVCKP-IAGOWNOFSA-N 1 0 330.432 4.137 20 5 EIBDRO Cc1ccc(Br)cc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000438906876 1043578244 /nfs/dbraw/zinc/57/82/44/1043578244.db2.gz HRMLFMFCJICZDG-UHFFFAOYSA-N 1 0 349.228 4.264 20 5 EIBDRO Cc1cc(N2CC=C(C(F)(F)F)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543047496 1043675497 /nfs/dbraw/zinc/67/54/97/1043675497.db2.gz SYCYMFNPVBGMNY-UHFFFAOYSA-N 1 0 337.301 4.150 20 5 EIBDRO C[C@H]1CCC[N@H+](CCCCNc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000731206210 1043718160 /nfs/dbraw/zinc/71/81/60/1043718160.db2.gz BHMOZBBXSUTFNB-ZDUSSCGKSA-N 1 0 348.472 4.129 20 5 EIBDRO CC(C)(C)Oc1cc(NC2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000301873949 1043874448 /nfs/dbraw/zinc/87/44/48/1043874448.db2.gz JQKAJEAQUDCPTK-UHFFFAOYSA-N 1 0 349.475 4.447 20 5 EIBDRO C[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173304432 1043889023 /nfs/dbraw/zinc/88/90/23/1043889023.db2.gz QJSUSTJRRAKPFE-JXFKEZNVSA-N 1 0 339.439 4.083 20 5 EIBDRO CC[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000245537282 1043972027 /nfs/dbraw/zinc/97/20/27/1043972027.db2.gz ITOREVAAXJIANJ-WDSOQIARSA-N 1 0 339.439 4.442 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173457814 1043975218 /nfs/dbraw/zinc/97/52/18/1043975218.db2.gz GMDQZGLMDJGLTM-LSDHHAIUSA-N 1 0 336.395 4.192 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173457780 1043976757 /nfs/dbraw/zinc/97/67/57/1043976757.db2.gz GMDQZGLMDJGLTM-GJZGRUSLSA-N 1 0 336.395 4.192 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2)cc1 ZINC000040676011 1043997499 /nfs/dbraw/zinc/99/74/99/1043997499.db2.gz JFRLTNOGXXCBSG-UHFFFAOYSA-N 1 0 325.195 4.234 20 5 EIBDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000521837064 1044027098 /nfs/dbraw/zinc/02/70/98/1044027098.db2.gz YDVMRXXLCTUAKC-ZIAGYGMSSA-N 1 0 348.390 4.377 20 5 EIBDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000543229306 1044198040 /nfs/dbraw/zinc/19/80/40/1044198040.db2.gz ZCUBNVPKJGGCSN-CABCVRRESA-N 1 0 344.411 4.150 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000246425414 1044308309 /nfs/dbraw/zinc/30/83/09/1044308309.db2.gz NMGFWYOBLZKKLQ-VHSSKADRSA-N 1 0 326.396 4.200 20 5 EIBDRO C[C@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000246578626 1044333991 /nfs/dbraw/zinc/33/39/91/1044333991.db2.gz YNRWAXUZDSYPLL-YRNRMSPPSA-N 1 0 340.423 4.413 20 5 EIBDRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000474075023 1044358974 /nfs/dbraw/zinc/35/89/74/1044358974.db2.gz UHSLMGIMNVSSOM-SFHVURJKSA-N 1 0 326.396 4.116 20 5 EIBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC001168766958 1044398304 /nfs/dbraw/zinc/39/83/04/1044398304.db2.gz WWVRCSPJYYMXOJ-QGZVFWFLSA-N 1 0 334.366 4.230 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](SC)C(C)(C)C)cc1[N+](=O)[O-] ZINC000543427122 1044584442 /nfs/dbraw/zinc/58/44/42/1044584442.db2.gz FIKDNGCLMSUQRN-MLGOLLRUSA-N 1 0 340.489 4.422 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000091901474 1044716730 /nfs/dbraw/zinc/71/67/30/1044716730.db2.gz ZWKLKFRHIBEHNV-HWKANZROSA-N 1 0 328.334 4.272 20 5 EIBDRO CO[C@H](C)CC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000555190538 1044816330 /nfs/dbraw/zinc/81/63/30/1044816330.db2.gz KRLYZPNSGDNYPF-CYBMUJFWSA-N 1 0 348.374 4.041 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000170651110 1044817545 /nfs/dbraw/zinc/81/75/45/1044817545.db2.gz QVJFAPWPDMZVGU-CQSZACIVSA-N 1 0 343.402 4.371 20 5 EIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cccc(Cl)c3)CC2)cc1 ZINC000132610101 1044819685 /nfs/dbraw/zinc/81/96/85/1044819685.db2.gz RIVSHMTYHDFPEB-UHFFFAOYSA-N 1 0 345.830 4.007 20 5 EIBDRO COCC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000093103493 1044819914 /nfs/dbraw/zinc/81/99/14/1044819914.db2.gz CIGVLIQNBLRKGY-UHFFFAOYSA-N 1 0 346.452 4.182 20 5 EIBDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000093419164 1044835483 /nfs/dbraw/zinc/83/54/83/1044835483.db2.gz YGYZLOCSEHNWHM-HNNXBMFYSA-N 1 0 344.411 4.103 20 5 EIBDRO CC[C@@H](C)[NH+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc([N+](=O)[O-])c1 ZINC000914869481 1044839970 /nfs/dbraw/zinc/83/99/70/1044839970.db2.gz VMEUHEIDJDWBQW-CQSZACIVSA-N 1 0 343.383 4.304 20 5 EIBDRO CC[C@@H]([NH2+][C@H](CCOC)c1ccc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000272258136 1044992140 /nfs/dbraw/zinc/99/21/40/1044992140.db2.gz AIXSRNOIUHTEKM-IAGOWNOFSA-N 1 0 332.400 4.315 20 5 EIBDRO COc1cccc2c1CC[C@@H]2[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000495374892 1045005772 /nfs/dbraw/zinc/00/57/72/1045005772.db2.gz UDQZFOFPKJCEOB-INIZCTEOSA-N 1 0 346.814 4.076 20 5 EIBDRO CC[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000156207638 1045023520 /nfs/dbraw/zinc/02/35/20/1045023520.db2.gz OOFZMCZPRDUEBK-MRXNPFEDSA-N 1 0 338.411 4.145 20 5 EIBDRO C[C@@H](C[NH2+]Cc1c2ccccc2cc2ccccc21)CN1CCOCC1 ZINC000738438798 1045060257 /nfs/dbraw/zinc/06/02/57/1045060257.db2.gz FLESUQIOURMAIT-SFHVURJKSA-N 1 0 348.490 4.051 20 5 EIBDRO COCC[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000495403809 1045062186 /nfs/dbraw/zinc/06/21/86/1045062186.db2.gz WVFJIORMPPCNDX-WMLDXEAASA-N 1 0 346.427 4.185 20 5 EIBDRO O=[N+]([O-])c1ccsc1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000302008499 1045154172 /nfs/dbraw/zinc/15/41/72/1045154172.db2.gz XFIMDAGAGIMHLR-UHFFFAOYSA-N 1 0 331.441 4.254 20 5 EIBDRO CCC[N@H+](C)C[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000302019463 1045155652 /nfs/dbraw/zinc/15/56/52/1045155652.db2.gz GZWDVAVRVRSXLQ-NSHDSACASA-N 1 0 346.258 4.070 20 5 EIBDRO CCOc1cccc(NC2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000302157509 1045164218 /nfs/dbraw/zinc/16/42/18/1045164218.db2.gz OCUOHFFSAQLKAX-UHFFFAOYSA-N 1 0 347.459 4.203 20 5 EIBDRO CC[NH+](CC)C[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000302298839 1045171674 /nfs/dbraw/zinc/17/16/74/1045171674.db2.gz PHQWXUVEQZJKOZ-NSHDSACASA-N 1 0 346.258 4.070 20 5 EIBDRO Cc1cccc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000302490427 1045179481 /nfs/dbraw/zinc/17/94/81/1045179481.db2.gz JVOIPEWWYHTLLN-RDTXWAMCSA-N 1 0 345.468 4.460 20 5 EIBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc2nsnc21 ZINC000766020028 1045227649 /nfs/dbraw/zinc/22/76/49/1045227649.db2.gz ZYRZHCFWJVMJNW-UHFFFAOYSA-N 1 0 342.424 4.010 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000132756080 1045259318 /nfs/dbraw/zinc/25/93/18/1045259318.db2.gz WDBLNKZDVZEEGH-MRXNPFEDSA-N 1 0 339.439 4.223 20 5 EIBDRO CC(C)c1ccc([C@H]2CCCCN2Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000611210803 1045260824 /nfs/dbraw/zinc/26/08/24/1045260824.db2.gz VJPYSKGUVRHTRQ-QGZVFWFLSA-N 1 0 342.443 4.179 20 5 EIBDRO CC[C@@H]([NH2+]CCCc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000611335575 1045280926 /nfs/dbraw/zinc/28/09/26/1045280926.db2.gz OBFQIDMATQTAGC-LJQANCHMSA-N 1 0 328.412 4.277 20 5 EIBDRO C[C@@H]([NH2+][C@H](CO)CC1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000611337417 1045281917 /nfs/dbraw/zinc/28/19/17/1045281917.db2.gz BXVXGBQPWGPOLT-OCCSQVGLSA-N 1 0 346.452 4.135 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000611335981 1045282192 /nfs/dbraw/zinc/28/21/92/1045282192.db2.gz XTUGWLMCGQYQCL-OAHLLOKOSA-N 1 0 327.428 4.280 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCCCO1 ZINC000611471786 1045315155 /nfs/dbraw/zinc/31/51/55/1045315155.db2.gz MIMFBTCLIGEHMR-DYVFJYSZSA-N 1 0 346.452 4.371 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000611477460 1045316312 /nfs/dbraw/zinc/31/63/12/1045316312.db2.gz NQAFIAGVGMJXCJ-SQWLQELKSA-N 1 0 338.473 4.013 20 5 EIBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000237522255 1045388737 /nfs/dbraw/zinc/38/87/37/1045388737.db2.gz OPJQZROKDCSXOM-OCCSQVGLSA-N 1 0 331.441 4.387 20 5 EIBDRO COc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000327882302 1045420087 /nfs/dbraw/zinc/42/00/87/1045420087.db2.gz ZTXWUIQEEIWCCK-UHFFFAOYSA-N 1 0 340.423 4.058 20 5 EIBDRO COCC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000272544494 1045508835 /nfs/dbraw/zinc/50/88/35/1045508835.db2.gz CKFRGZFIHQVYSY-ZBFHGGJFSA-N 1 0 332.400 4.233 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000153334911 1045515466 /nfs/dbraw/zinc/51/54/66/1045515466.db2.gz SYIFSHJQNHPEDB-PXAZEXFGSA-N 1 0 344.386 4.471 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000193901070 1045540052 /nfs/dbraw/zinc/54/00/52/1045540052.db2.gz NZUTWVBFKCUORS-QWHCGFSZSA-N 1 0 330.384 4.024 20 5 EIBDRO Cc1c(C[NH2+]Cc2ccccc2N2CCCCC2)cccc1[N+](=O)[O-] ZINC000791000007 1045650874 /nfs/dbraw/zinc/65/08/74/1045650874.db2.gz QFUMFKNHYYPUAK-UHFFFAOYSA-N 1 0 339.439 4.183 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCSC ZINC000768102944 1045714950 /nfs/dbraw/zinc/71/49/50/1045714950.db2.gz RMWXZVXNPZDTHX-QWHCGFSZSA-N 1 0 328.503 4.197 20 5 EIBDRO CSC[C@@](C)(O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000237362438 1045924072 /nfs/dbraw/zinc/92/40/72/1045924072.db2.gz MXOKYPDFBFKVSI-FQEVSTJZSA-N 1 0 325.477 4.197 20 5 EIBDRO Cc1noc(C[N@@H+](CC(C)C)[C@H](C)c2ccccc2C)c1[N+](=O)[O-] ZINC001170245535 1045950848 /nfs/dbraw/zinc/95/08/48/1045950848.db2.gz WQWBRWZESUCBNK-OAHLLOKOSA-N 1 0 331.416 4.419 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(-c3cc[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000326524563 1045979684 /nfs/dbraw/zinc/97/96/84/1045979684.db2.gz VGZSKFSOFJCWOO-AWEZNQCLSA-N 1 0 336.395 4.144 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001170307219 1046004998 /nfs/dbraw/zinc/00/49/98/1046004998.db2.gz FPLFVZKCJQEYGL-QWHCGFSZSA-N 1 0 332.375 4.024 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@@H](C)c3ccccc32)c([N+](=O)[O-])c1 ZINC001170306553 1046005474 /nfs/dbraw/zinc/00/54/74/1046005474.db2.gz XJQIQCVYXYTSBF-TYILLQQXSA-N 1 0 340.423 4.373 20 5 EIBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC001170347167 1046019331 /nfs/dbraw/zinc/01/93/31/1046019331.db2.gz QYRVBLAPXDIHTG-CZUORRHYSA-N 1 0 346.452 4.433 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792907972 1046101800 /nfs/dbraw/zinc/10/18/00/1046101800.db2.gz QJMQQUGMBHVCOH-TUKIKUTGSA-N 1 0 343.254 4.480 20 5 EIBDRO C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@H](c1ccccc1)[NH+](C)C ZINC000769930536 1046114997 /nfs/dbraw/zinc/11/49/97/1046114997.db2.gz LDXZCTXEBQBGAP-SCLBCKFNSA-N 1 0 347.846 4.029 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCc3ccc(F)c(F)c3)C2)cc1 ZINC001170424726 1046127536 /nfs/dbraw/zinc/12/75/36/1046127536.db2.gz PRAJIMGJERDFQQ-MRXNPFEDSA-N 1 0 346.377 4.295 20 5 EIBDRO [NH3+]C1(c2noc(-c3cc4ccccc4c4cccnc34)n2)CCCC1 ZINC000261985051 1046170526 /nfs/dbraw/zinc/17/05/26/1046170526.db2.gz RTRFXSDELYQAOT-UHFFFAOYSA-N 1 0 330.391 4.166 20 5 EIBDRO CCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](O)c1ccccc1 ZINC000793241744 1046187267 /nfs/dbraw/zinc/18/72/67/1046187267.db2.gz XHPORMNUYCBINZ-ROUUACIJSA-N 1 0 348.830 4.240 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCN(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000152535234 1046288101 /nfs/dbraw/zinc/28/81/01/1046288101.db2.gz XYJGKHRQRBWPOQ-IAGOWNOFSA-N 1 0 339.439 4.080 20 5 EIBDRO CCOc1cc([N+](=O)[O-])ccc1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001170450992 1046497719 /nfs/dbraw/zinc/49/77/19/1046497719.db2.gz HEDXTPHWOIZNOZ-UHFFFAOYSA-N 1 0 335.448 4.057 20 5 EIBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000536669397 1046620285 /nfs/dbraw/zinc/62/02/85/1046620285.db2.gz BBCSBTCDRCCQQG-DOMZBBRYSA-N 1 0 331.441 4.339 20 5 EIBDRO Cc1ccc(CN2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000536661131 1046628277 /nfs/dbraw/zinc/62/82/77/1046628277.db2.gz JQSCYLJETKWLMI-AUUYWEPGSA-N 1 0 344.386 4.004 20 5 EIBDRO CC(C)([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCOCC1 ZINC000785605411 1046717822 /nfs/dbraw/zinc/71/78/22/1046717822.db2.gz FBZMWQKOOJUIMZ-UHFFFAOYSA-N 1 0 344.411 4.150 20 5 EIBDRO COc1ccc(C[N@H+](C)[C@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000497396171 1046799783 /nfs/dbraw/zinc/79/97/83/1046799783.db2.gz JZIGFVSGHPELGD-IBGZPJMESA-N 1 0 328.412 4.433 20 5 EIBDRO C[C@H]1CCCC[C@@]1(C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000459604172 1046805386 /nfs/dbraw/zinc/80/53/86/1046805386.db2.gz BLQSOHIQPXJCSY-IFXJQAMLSA-N 1 0 343.427 4.351 20 5 EIBDRO CCC[C@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000536848312 1046819435 /nfs/dbraw/zinc/81/94/35/1046819435.db2.gz VLPSOHZSQRWKEV-MNEFBYGVSA-N 1 0 334.460 4.357 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000536849360 1046820572 /nfs/dbraw/zinc/82/05/72/1046820572.db2.gz BZJNVDCFQFUCBK-KSMMKXTCSA-N 1 0 346.402 4.469 20 5 EIBDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000917484195 1046906742 /nfs/dbraw/zinc/90/67/42/1046906742.db2.gz WTJQYMLTHIJYKQ-SFHVURJKSA-N 1 0 336.395 4.048 20 5 EIBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746672702 1046988130 /nfs/dbraw/zinc/98/81/30/1046988130.db2.gz HFDJHDXENSISPR-KBPBESRZSA-N 1 0 328.865 4.354 20 5 EIBDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000746713913 1047068444 /nfs/dbraw/zinc/06/84/44/1047068444.db2.gz YEFZBLUHBBERQE-MSOLQXFVSA-N 1 0 342.443 4.024 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC(F)(F)F)s2)cc1 ZINC000537312443 1047100404 /nfs/dbraw/zinc/10/04/04/1047100404.db2.gz WWKPHKOARNVRDZ-UHFFFAOYSA-N 1 0 330.331 4.365 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788574423 1047235640 /nfs/dbraw/zinc/23/56/40/1047235640.db2.gz TWBGFSMRLAEIDN-ZDUSSCGKSA-N 1 0 327.428 4.325 20 5 EIBDRO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788639979 1047257474 /nfs/dbraw/zinc/25/74/74/1047257474.db2.gz DWWSPTMDSJBHTK-KBPBESRZSA-N 1 0 343.427 4.376 20 5 EIBDRO CC[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000152542523 1047258993 /nfs/dbraw/zinc/25/89/93/1047258993.db2.gz NNMWXLYSGWJLDD-UZLBHIALSA-N 1 0 339.439 4.162 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000788667422 1047267960 /nfs/dbraw/zinc/26/79/60/1047267960.db2.gz VREDJYDHLPWKFC-MGPLVRAMSA-N 1 0 335.354 4.257 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccc(Cl)nc32)cc1[N+](=O)[O-] ZINC000788666731 1047268601 /nfs/dbraw/zinc/26/86/01/1047268601.db2.gz SGHAJVBARPGHQV-RISCZKNCSA-N 1 0 331.803 4.290 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc(F)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788801703 1047305984 /nfs/dbraw/zinc/30/59/84/1047305984.db2.gz BRPYFTUEPWBMAO-APPDUMDISA-N 1 0 329.375 4.044 20 5 EIBDRO CSc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788814894 1047316529 /nfs/dbraw/zinc/31/65/29/1047316529.db2.gz NOUCEFHQTYLCPR-RYUDHWBXSA-N 1 0 331.441 4.311 20 5 EIBDRO CSc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788813382 1047327060 /nfs/dbraw/zinc/32/70/60/1047327060.db2.gz HCFFIRBVLSQHAP-RYUDHWBXSA-N 1 0 331.441 4.311 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@@H]1CCc2ccccc21 ZINC000790052497 1047509748 /nfs/dbraw/zinc/50/97/48/1047509748.db2.gz GGOUSOIIYQWGGB-HNNXBMFYSA-N 1 0 330.815 4.110 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898323027 1047614573 /nfs/dbraw/zinc/61/45/73/1047614573.db2.gz WHTWZCJXDFYTLD-KUHUBIRLSA-N 1 0 325.412 4.052 20 5 EIBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000919722058 1048029544 /nfs/dbraw/zinc/02/95/44/1048029544.db2.gz SJQAPVPXPQYGKD-GUTXKFCHSA-N 1 0 337.851 4.090 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@H](CC4CC4)C3)cs2)c1 ZINC000556958325 1048319797 /nfs/dbraw/zinc/31/97/97/1048319797.db2.gz CMJQNNFHBSACPW-AWEZNQCLSA-N 1 0 343.452 4.340 20 5 EIBDRO C[C@H](CCOCc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809782426 1048530206 /nfs/dbraw/zinc/53/02/06/1048530206.db2.gz TXFZQKUHPQZYDB-CQSZACIVSA-N 1 0 348.830 4.333 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815604322 1048555163 /nfs/dbraw/zinc/55/51/63/1048555163.db2.gz KYWONOFLZINQGP-CYBMUJFWSA-N 1 0 343.427 4.205 20 5 EIBDRO CC(C)COC[C@H](O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000920182969 1048564700 /nfs/dbraw/zinc/56/47/00/1048564700.db2.gz WUUOTPKBMFCOCN-LJQANCHMSA-N 1 0 337.463 4.116 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1c(F)cc(F)cc1F ZINC000815649327 1048572620 /nfs/dbraw/zinc/57/26/20/1048572620.db2.gz MHTHBVKJGFLSMR-NSHDSACASA-N 1 0 338.329 4.123 20 5 EIBDRO CO[C@H](C)C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)C ZINC000809949024 1048579868 /nfs/dbraw/zinc/57/98/68/1048579868.db2.gz WAHPYFMQSJYRSZ-SNVBAGLBSA-N 1 0 335.231 4.147 20 5 EIBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cc4cc[nH]c4c([N+](=O)[O-])c3)c2c1 ZINC001171170512 1048617564 /nfs/dbraw/zinc/61/75/64/1048617564.db2.gz YDDDSTNAJSHDIJ-ZDUSSCGKSA-N 1 0 348.406 4.218 20 5 EIBDRO CC(C)[N@H+](CCOc1cccc(F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350850 1049052381 /nfs/dbraw/zinc/05/23/81/1049052381.db2.gz SYAOSFUCEPKLAS-UHFFFAOYSA-N 1 0 332.375 4.023 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000811478939 1049099321 /nfs/dbraw/zinc/09/93/21/1049099321.db2.gz SWMLXLQQBSMNEU-LLVKDONJSA-N 1 0 337.206 4.331 20 5 EIBDRO CCC(CC)(CNc1ncccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000609512985 1049125686 /nfs/dbraw/zinc/12/56/86/1049125686.db2.gz ARAYFVLSFQKWDM-HNNXBMFYSA-N 1 0 342.443 4.311 20 5 EIBDRO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000609625741 1049214788 /nfs/dbraw/zinc/21/47/88/1049214788.db2.gz XFBMQZWPLYMKNZ-QGZVFWFLSA-N 1 0 326.396 4.113 20 5 EIBDRO CC[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000348216546 1049488907 /nfs/dbraw/zinc/48/89/07/1049488907.db2.gz OPSVKQCXJJWAHF-ROUUACIJSA-N 1 0 348.830 4.413 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000773067051 1049559710 /nfs/dbraw/zinc/55/97/10/1049559710.db2.gz HQWRMRXBEGAZON-HNNXBMFYSA-N 1 0 328.412 4.461 20 5 EIBDRO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812849683 1049609796 /nfs/dbraw/zinc/60/97/96/1049609796.db2.gz RFAHPSYOPDTLGW-SCLBCKFNSA-N 1 0 348.830 4.192 20 5 EIBDRO CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)[C@H](O)c1ccccc1 ZINC000812849300 1049611229 /nfs/dbraw/zinc/61/12/29/1049611229.db2.gz NHJVYLGTGWDZDL-ACJLOTCBSA-N 1 0 348.830 4.192 20 5 EIBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(c3ccccc3Cl)CCC2)c1 ZINC001171700173 1049780311 /nfs/dbraw/zinc/78/03/11/1049780311.db2.gz JZYMOQDAXBWOPE-UHFFFAOYSA-N 1 0 346.814 4.296 20 5 EIBDRO C[C@@]1(c2cccc(F)c2)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001171771790 1049794718 /nfs/dbraw/zinc/79/47/18/1049794718.db2.gz IVJOGDOMLQGULP-GOSISDBHSA-N 1 0 332.350 4.037 20 5 EIBDRO CCN1CC[C@H]([N@H+](C)Cc2c3ccccc3cc3ccccc32)CC1=O ZINC001172046678 1049842994 /nfs/dbraw/zinc/84/29/94/1049842994.db2.gz RFIXDIAPHRKYEB-IBGZPJMESA-N 1 0 346.474 4.436 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](c3ccccc3)C3CCC3)nc2c1 ZINC000444663029 1050047421 /nfs/dbraw/zinc/04/74/21/1050047421.db2.gz KKPJCMNIGOTYEC-LJQANCHMSA-N 1 0 336.395 4.102 20 5 EIBDRO CCOc1ccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1 ZINC001172898927 1050202749 /nfs/dbraw/zinc/20/27/49/1050202749.db2.gz JRFPHJJCTBCDPX-GOSISDBHSA-N 1 0 340.423 4.031 20 5 EIBDRO Cc1ccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c(F)c1F ZINC001172899730 1050203580 /nfs/dbraw/zinc/20/35/80/1050203580.db2.gz CATQIHFHQDSRSU-INIZCTEOSA-N 1 0 346.377 4.219 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCCc1ccc(F)cc1)CC2 ZINC001172899682 1050203787 /nfs/dbraw/zinc/20/37/87/1050203787.db2.gz BTZYCTUYSHIFCU-IBGZPJMESA-N 1 0 342.414 4.204 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ncccc1C ZINC001172898189 1050203828 /nfs/dbraw/zinc/20/38/28/1050203828.db2.gz HLVAKFUJVLHQAY-MJGOQNOKSA-N 1 0 339.439 4.287 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1 ZINC001172899177 1050204131 /nfs/dbraw/zinc/20/41/31/1050204131.db2.gz LOFYWEACDMQSDR-RDTXWAMCSA-N 1 0 340.423 4.202 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1sccc1Cl)CC2 ZINC001172901488 1050204684 /nfs/dbraw/zinc/20/46/84/1050204684.db2.gz ITNBWQWEYCZDDL-ZDUSSCGKSA-N 1 0 336.844 4.347 20 5 EIBDRO [NH3+]CCc1cc2ccccc2n1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904516 1050204877 /nfs/dbraw/zinc/20/48/77/1050204877.db2.gz XWUOXUWGBCXPBF-SFHVURJKSA-N 1 0 349.434 4.171 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccc(F)cc1F ZINC001172900736 1050205815 /nfs/dbraw/zinc/20/58/15/1050205815.db2.gz YWXHHPKHZYZTIW-BLLLJJGKSA-N 1 0 346.377 4.471 20 5 EIBDRO CC1(C)C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1(F)F ZINC001172904556 1050207329 /nfs/dbraw/zinc/20/73/29/1050207329.db2.gz OLXRQKRXMRFPTH-HNNXBMFYSA-N 1 0 338.398 4.209 20 5 EIBDRO C[N@H+](Cc1ccccc1F)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172917633 1050233389 /nfs/dbraw/zinc/23/33/89/1050233389.db2.gz WGWLJYONWBYSSK-KRWDZBQOSA-N 1 0 328.387 4.113 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@@H]3C[C@H](C1)c1ccccc13)CC2 ZINC001172921661 1050234022 /nfs/dbraw/zinc/23/40/22/1050234022.db2.gz QKWMUJQAVXBPKO-CEXWTWQISA-N 1 0 348.446 4.429 20 5 EIBDRO CC(C)CCOCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001177536928 1050245051 /nfs/dbraw/zinc/24/50/51/1050245051.db2.gz GNKQDZWBRPHBPC-UHFFFAOYSA-N 1 0 348.468 4.476 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@H](C(F)(F)F)C1)CC2 ZINC001172910876 1050245999 /nfs/dbraw/zinc/24/59/99/1050245999.db2.gz PRKKOEIEGDOPBD-HUUCEWRRSA-N 1 0 342.361 4.117 20 5 EIBDRO C[N@H+](Cc1cccc(F)c1F)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912774 1050247570 /nfs/dbraw/zinc/24/75/70/1050247570.db2.gz MCFYVBBDDQVHIE-MRXNPFEDSA-N 1 0 346.377 4.252 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C(C)(C)c2ccccc2)c1F ZINC001173176499 1050335939 /nfs/dbraw/zinc/33/59/39/1050335939.db2.gz JTVLZGVCOMCNDB-CYBMUJFWSA-N 1 0 346.402 4.198 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCCC2CCCC2)c1F ZINC001173190185 1050338401 /nfs/dbraw/zinc/33/84/01/1050338401.db2.gz VGBYSTMFYLRZJN-ZDUSSCGKSA-N 1 0 338.423 4.234 20 5 EIBDRO CC(=O)c1ccc([C@H](C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173217840 1050349928 /nfs/dbraw/zinc/34/99/28/1050349928.db2.gz GQELQDTWRJUVQC-KGLIPLIRSA-N 1 0 326.396 4.079 20 5 EIBDRO Cc1c(CC[NH3+])c2ccccc2n1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215540 1050350859 /nfs/dbraw/zinc/35/08/59/1050350859.db2.gz WPLGOEPZCJRIIS-CQSZACIVSA-N 1 0 337.423 4.163 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC001173215686 1050350935 /nfs/dbraw/zinc/35/09/35/1050350935.db2.gz YORYMHQDEYSZCS-HRAATJIYSA-N 1 0 347.418 4.300 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccccc1C(F)(F)F ZINC001173217038 1050351261 /nfs/dbraw/zinc/35/12/61/1050351261.db2.gz OWSPPLYOLWBYKF-LBPRGKRZSA-N 1 0 338.329 4.334 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccc(F)cc2F)CC1 ZINC001173219915 1050353251 /nfs/dbraw/zinc/35/32/51/1050353251.db2.gz RBDHLSGBPPGOIK-LBPRGKRZSA-N 1 0 332.350 4.083 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC001173218614 1050353699 /nfs/dbraw/zinc/35/36/99/1050353699.db2.gz LCIXFCMOOVFPMA-MRXNPFEDSA-N 1 0 347.418 4.378 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(Cc2ccc(F)cc2)CCC1 ZINC001173224271 1050354941 /nfs/dbraw/zinc/35/49/41/1050354941.db2.gz MXZLREPZLLRLKN-OAHLLOKOSA-N 1 0 342.414 4.420 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1ccncc1Cl)C1CC1 ZINC001173223726 1050355308 /nfs/dbraw/zinc/35/53/08/1050355308.db2.gz LGVLUAIKESNRPM-SGTLLEGYSA-N 1 0 345.830 4.315 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1nc2ccccc2s1 ZINC001173223011 1050355341 /nfs/dbraw/zinc/35/53/41/1050355341.db2.gz WEKAQKMQQJAPNY-CYBMUJFWSA-N 1 0 341.436 4.268 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C)CCC(F)(F)CC1 ZINC001173226223 1050357698 /nfs/dbraw/zinc/35/76/98/1050357698.db2.gz WDSIYRSHXILACE-ZDUSSCGKSA-N 1 0 326.387 4.331 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1ccc(Cl)cn1)C1CC1 ZINC001173228226 1050357927 /nfs/dbraw/zinc/35/79/27/1050357927.db2.gz IDZPINIYMHFZSB-KZULUSFZSA-N 1 0 345.830 4.315 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1cccc(Cl)c1 ZINC001173233280 1050360472 /nfs/dbraw/zinc/36/04/72/1050360472.db2.gz KFRLZXKSWGXOQU-CQSZACIVSA-N 1 0 332.831 4.354 20 5 EIBDRO CCCOc1cccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173234420 1050362839 /nfs/dbraw/zinc/36/28/39/1050362839.db2.gz OPENXMFHQFEBPL-HNNXBMFYSA-N 1 0 328.412 4.104 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1ccnc(Cl)c1)C1CC1 ZINC001173236276 1050372549 /nfs/dbraw/zinc/37/25/49/1050372549.db2.gz ZORHFOIUCIYWED-KZULUSFZSA-N 1 0 345.830 4.315 20 5 EIBDRO Cc1cc([N+](=O)[O-])cnc1S[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001186757191 1050406427 /nfs/dbraw/zinc/40/64/27/1050406427.db2.gz NQUMOASKQQSFKO-KRWDZBQOSA-N 1 0 343.452 4.055 20 5 EIBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001187034335 1050474173 /nfs/dbraw/zinc/47/41/73/1050474173.db2.gz IXXFXJIDOWOAPP-LLVKDONJSA-N 1 0 346.258 4.434 20 5 EIBDRO Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3[N+](=O)[O-])o2)cc1 ZINC001178605524 1050515675 /nfs/dbraw/zinc/51/56/75/1050515675.db2.gz JCJDMPBIJAYWLR-UHFFFAOYSA-N 1 0 336.391 4.496 20 5 EIBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCC1 ZINC001178736840 1050540317 /nfs/dbraw/zinc/54/03/17/1050540317.db2.gz IREQUJVKSSLVNR-UHFFFAOYSA-N 1 0 328.359 4.112 20 5 EIBDRO CCC[N@H+](CC)C[C@@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001178831110 1050567655 /nfs/dbraw/zinc/56/76/55/1050567655.db2.gz HRVIYVMWPGAAEJ-OAHLLOKOSA-N 1 0 345.443 4.065 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(O)ccc1Cl ZINC001179458039 1050701554 /nfs/dbraw/zinc/70/15/54/1050701554.db2.gz NVVVSMMBEKZGJF-KPKJPENVSA-N 1 0 332.787 4.147 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc3c(c2)CCCO3)C2CC2)c1 ZINC001179909712 1050831423 /nfs/dbraw/zinc/83/14/23/1050831423.db2.gz SGUBUFLTGAERNW-UHFFFAOYSA-N 1 0 338.407 4.084 20 5 EIBDRO COc1ccc(C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C2CC2)cc1 ZINC001180574492 1051025084 /nfs/dbraw/zinc/02/50/84/1051025084.db2.gz VPZULJSTAKWCRA-UHFFFAOYSA-N 1 0 340.423 4.385 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC001190392758 1051166715 /nfs/dbraw/zinc/16/67/15/1051166715.db2.gz SOSZUZWOUYHNSP-GOSISDBHSA-N 1 0 340.423 4.201 20 5 EIBDRO Cc1ccc([C@H](C)[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC001190366646 1051170462 /nfs/dbraw/zinc/17/04/62/1051170462.db2.gz SJURLSDNWNJKRF-INIZCTEOSA-N 1 0 328.412 4.365 20 5 EIBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)CC1CCCCC1 ZINC001181374494 1051212251 /nfs/dbraw/zinc/21/22/51/1051212251.db2.gz YZHHPBFOMJNLIM-GJZGRUSLSA-N 1 0 347.459 4.260 20 5 EIBDRO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000183676644 1051255323 /nfs/dbraw/zinc/25/53/23/1051255323.db2.gz UDVAZXDKRHYNDE-AWEZNQCLSA-N 1 0 337.379 4.443 20 5 EIBDRO C[C@]1(c2ccccc2)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001190944793 1051307704 /nfs/dbraw/zinc/30/77/04/1051307704.db2.gz REEDGUOPMRHNCB-FQEVSTJZSA-N 1 0 340.423 4.027 20 5 EIBDRO C[C@@]1(c2ccccc2)CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001190943703 1051307997 /nfs/dbraw/zinc/30/79/97/1051307997.db2.gz BKSWILDHXIYJOV-HXUWFJFHSA-N 1 0 340.423 4.027 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001181859942 1051331604 /nfs/dbraw/zinc/33/16/04/1051331604.db2.gz LLHKPXRGYBOXSO-BBRMVZONSA-N 1 0 335.448 4.116 20 5 EIBDRO CC(C)=CCC[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001181891579 1051343124 /nfs/dbraw/zinc/34/31/24/1051343124.db2.gz COHUNXJITFCTJJ-INIZCTEOSA-N 1 0 331.460 4.288 20 5 EIBDRO CC(C)(C)OC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001176009271 1051871464 /nfs/dbraw/zinc/87/14/64/1051871464.db2.gz LCIKWAGDXDWUDB-CQSZACIVSA-N 1 0 326.824 4.028 20 5 EIBDRO C[C@H](NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001183788642 1051899530 /nfs/dbraw/zinc/89/95/30/1051899530.db2.gz MYXAMZXYODMCFZ-FTRWYGJKSA-N 1 0 345.487 4.289 20 5 EIBDRO C[NH+](C)Cc1ccc(Nc2cc3nc4ccccc4nc3cc2N)cc1 ZINC001176292480 1051981490 /nfs/dbraw/zinc/98/14/90/1051981490.db2.gz UPUPLGCIRZXCDX-UHFFFAOYSA-N 1 0 343.434 4.170 20 5 EIBDRO C[NH+](C)CCn1cc(Nc2cccc3cc4ccccc4cc32)cn1 ZINC001176448937 1052076640 /nfs/dbraw/zinc/07/66/40/1052076640.db2.gz GCHJGHLVFWMHCC-UHFFFAOYSA-N 1 0 330.435 4.495 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000090918612 1052782698 /nfs/dbraw/zinc/78/26/98/1052782698.db2.gz VLFLFEINIPQONF-UGSOOPFHSA-N 1 0 344.411 4.414 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(C[N@H+](C3CC3)[C@H]3CCc4ccccc43)nc2c1 ZINC000083169188 1052845046 /nfs/dbraw/zinc/84/50/46/1052845046.db2.gz PEXZDHWIXKRGQL-SFHVURJKSA-N 1 0 349.390 4.388 20 5 EIBDRO CC(C)CC1(C)CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001194864100 1053130809 /nfs/dbraw/zinc/13/08/09/1053130809.db2.gz KAISMOKFBGYHQF-OAHLLOKOSA-N 1 0 347.459 4.070 20 5 EIBDRO COc1cc2c(N[C@@H](C)c3ccc([N+](=O)[O-])cc3)cc[nH+]c2cc1F ZINC000864019263 1053149405 /nfs/dbraw/zinc/14/94/05/1053149405.db2.gz XOVRSBDTWIACJH-NSHDSACASA-N 1 0 341.342 4.464 20 5 EIBDRO CCOc1cc(C[N@H+](C)[C@H](C)Cc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC001195013895 1053216265 /nfs/dbraw/zinc/21/62/65/1053216265.db2.gz MVMCNSCWAKKLJG-CQSZACIVSA-N 1 0 346.402 4.196 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000764749024 1053290066 /nfs/dbraw/zinc/29/00/66/1053290066.db2.gz OFAQKXBAULIRAE-QZTJIDSGSA-N 1 0 348.830 4.413 20 5 EIBDRO CC(C)n1cc2c(n1)[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000764937636 1053387621 /nfs/dbraw/zinc/38/76/21/1053387621.db2.gz DNPJQBCNCOLZQR-DYVFJYSZSA-N 1 0 328.416 4.100 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3cccc(F)c3F)CC2)c1 ZINC001195508308 1053426165 /nfs/dbraw/zinc/42/61/65/1053426165.db2.gz FMTCICQQQUWTRU-UHFFFAOYSA-N 1 0 332.350 4.253 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000765140961 1053452754 /nfs/dbraw/zinc/45/27/54/1053452754.db2.gz FGXRXENVNCACIV-MRXNPFEDSA-N 1 0 339.439 4.223 20 5 EIBDRO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCc2ccc(Cl)cc21 ZINC001195765878 1053475181 /nfs/dbraw/zinc/47/51/81/1053475181.db2.gz AEDBPEFLWFHYON-ZDUSSCGKSA-N 1 0 330.815 4.410 20 5 EIBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120489201 1053476462 /nfs/dbraw/zinc/47/64/62/1053476462.db2.gz HURXIQZZWNRVFH-DLBZAZTESA-N 1 0 334.803 4.023 20 5 EIBDRO CC[C@H](c1ccccc1)[N@H+](CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580271 1053563949 /nfs/dbraw/zinc/56/39/49/1053563949.db2.gz RWGKIXYCYSAHIX-MOPGFXCFSA-N 1 0 328.412 4.101 20 5 EIBDRO CC(C)(C)[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776586180 1053569409 /nfs/dbraw/zinc/56/94/09/1053569409.db2.gz DBDXSDPCZLWFIM-ROUUACIJSA-N 1 0 328.412 4.005 20 5 EIBDRO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000776589550 1053575778 /nfs/dbraw/zinc/57/57/78/1053575778.db2.gz TVGRDIUJXZRUHC-BVGQSLNGSA-N 1 0 344.411 4.003 20 5 EIBDRO Cc1c(NC(=O)CC[N@@H+]2CC(C)(C)CCC2(C)C)cccc1[N+](=O)[O-] ZINC001196276003 1053631706 /nfs/dbraw/zinc/63/17/06/1053631706.db2.gz RHOWXWLPEMLTKF-UHFFFAOYSA-N 1 0 347.459 4.132 20 5 EIBDRO CCc1nc([C@@H](C)[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cs1 ZINC000866264439 1053669174 /nfs/dbraw/zinc/66/91/74/1053669174.db2.gz OGGYDUATRNIMJQ-WDEREUQCSA-N 1 0 337.420 4.035 20 5 EIBDRO CCC(CC)CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001196506260 1053686269 /nfs/dbraw/zinc/68/62/69/1053686269.db2.gz PQKOEYGMRHMMPP-CQSZACIVSA-N 1 0 335.448 4.070 20 5 EIBDRO CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000866540384 1053776066 /nfs/dbraw/zinc/77/60/66/1053776066.db2.gz NFOAHEGWPCZRRJ-ZDUSSCGKSA-N 1 0 331.441 4.089 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cc2cnccc2o1 ZINC000866621357 1053810770 /nfs/dbraw/zinc/81/07/70/1053810770.db2.gz QZWXXBVZSSYTJI-SJKOYZFVSA-N 1 0 337.379 4.464 20 5 EIBDRO COc1ccc(C[N@@H+]2CCC[C@H]2[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC001198010204 1054045290 /nfs/dbraw/zinc/04/52/90/1054045290.db2.gz FSYOHCVUIMZTHZ-QAPCUYQASA-N 1 0 340.423 4.372 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC001198271601 1054120069 /nfs/dbraw/zinc/12/00/69/1054120069.db2.gz XFYSQXINYZDZFB-HJCTWCACSA-N 1 0 338.407 4.281 20 5 EIBDRO CCn1nc(C)c(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)c1C ZINC000872031659 1054348316 /nfs/dbraw/zinc/34/83/16/1054348316.db2.gz LKCVXEOLWQIFDI-LLVKDONJSA-N 1 0 348.472 4.001 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cc(C)nc(C)c1 ZINC000872080056 1054381609 /nfs/dbraw/zinc/38/16/09/1054381609.db2.gz NDYHOABTODUBQX-ZDUSSCGKSA-N 1 0 331.441 4.179 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000872086797 1054383227 /nfs/dbraw/zinc/38/32/27/1054383227.db2.gz ZPPXXYUOWRTLDP-JECHBYEQSA-N 1 0 344.436 4.146 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCOc1cc(C)cc(C)c1 ZINC001199707844 1054451054 /nfs/dbraw/zinc/45/10/54/1054451054.db2.gz BLEHWYYNIXEHKB-YVLHZVERSA-N 1 0 340.423 4.284 20 5 EIBDRO Cc1c(C[NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000873104258 1054486049 /nfs/dbraw/zinc/48/60/49/1054486049.db2.gz LDWDBBKCFUDOAY-HKUYNNGSSA-N 1 0 344.386 4.052 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(SC)cc2)cc1[N+](=O)[O-] ZINC000282176155 1054490606 /nfs/dbraw/zinc/49/06/06/1054490606.db2.gz JRUJXHFSBDBGAA-LBPRGKRZSA-N 1 0 332.425 4.176 20 5 EIBDRO COc1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])ccc1SC ZINC000873184592 1054504804 /nfs/dbraw/zinc/50/48/04/1054504804.db2.gz UEGYDAUQECRDJV-GFCCVEGCSA-N 1 0 332.425 4.176 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccns1 ZINC000858578648 1054525871 /nfs/dbraw/zinc/52/58/71/1054525871.db2.gz WXZMPFNVSLZAQV-GUTXKFCHSA-N 1 0 331.441 4.113 20 5 EIBDRO Cc1cccc2oc(CC[NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])nc21 ZINC000776220338 1054937030 /nfs/dbraw/zinc/93/70/30/1054937030.db2.gz VQUSKCHLFUBOCK-UHFFFAOYSA-N 1 0 345.786 4.030 20 5 EIBDRO Cc1ccccc1[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(C)(C)C ZINC000877082230 1055016158 /nfs/dbraw/zinc/01/61/58/1055016158.db2.gz OHACIJICNYTENP-JTTJXQCZSA-N 1 0 342.443 4.180 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000765813186 1055476320 /nfs/dbraw/zinc/47/63/20/1055476320.db2.gz DVTIBKPNYPASOP-FZKQIMNGSA-N 1 0 348.830 4.115 20 5 EIBDRO CC(C)([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001168623733 1055621081 /nfs/dbraw/zinc/62/10/81/1055621081.db2.gz XSPYOPCGRNMGCU-UHFFFAOYSA-N 1 0 334.803 4.152 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccccc1N(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000765847098 1055869700 /nfs/dbraw/zinc/86/97/00/1055869700.db2.gz AYJBYFFJJGYJJC-GOSISDBHSA-N 1 0 327.428 4.292 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000327022430 1055944902 /nfs/dbraw/zinc/94/49/02/1055944902.db2.gz DTGFUDKEHULOQP-IBGZPJMESA-N 1 0 335.407 4.286 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000542811239 1056089980 /nfs/dbraw/zinc/08/99/80/1056089980.db2.gz ZLEVDIUMVLSFSP-NSHDSACASA-N 1 0 338.329 4.214 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000327258677 1056390193 /nfs/dbraw/zinc/39/01/93/1056390193.db2.gz CSUONEMHLXJKOR-UZLBHIALSA-N 1 0 339.439 4.083 20 5 EIBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C12CCCC2 ZINC000742390066 1058588708 /nfs/dbraw/zinc/58/87/08/1058588708.db2.gz ANFAKRPQOQEHRL-HZPDHXFCSA-N 1 0 338.835 4.076 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3ccc(Cl)cc3Cl)CC2)C1 ZINC001168977877 1060547991 /nfs/dbraw/zinc/54/79/91/1060547991.db2.gz NFVMSTXVDBVXAA-ZYHUDNBSSA-N 1 0 329.227 4.018 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC001168998809 1060570741 /nfs/dbraw/zinc/57/07/41/1060570741.db2.gz QGDSELXHZWAQLA-MDASCCDHSA-N 1 0 344.842 4.464 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](c3cccc(Cl)c3Cl)C2)C1 ZINC001169035905 1060595264 /nfs/dbraw/zinc/59/52/64/1060595264.db2.gz MGMPLSUKMMDXAT-FRRDWIJNSA-N 1 0 343.254 4.228 20 5 EIBDRO CCOc1cc(C[N@@H+]2CC[C@@H](c3cccc(C)c3)C2)ccc1[N+](=O)[O-] ZINC001169195950 1060680939 /nfs/dbraw/zinc/68/09/39/1060680939.db2.gz AODSCUZABFXIOD-GOSISDBHSA-N 1 0 340.423 4.291 20 5 EIBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001169363563 1060781480 /nfs/dbraw/zinc/78/14/80/1060781480.db2.gz AQKPIGNMTVTYTI-QAPCUYQASA-N 1 0 328.387 4.235 20 5 EIBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccnc2c1cccc2[N+](=O)[O-] ZINC001169689637 1060900053 /nfs/dbraw/zinc/90/00/53/1060900053.db2.gz GZLVECDTRAVFMZ-INIZCTEOSA-N 1 0 348.406 4.383 20 5 EIBDRO CCOc1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH3+])c2cc(C)ccc21 ZINC001169697535 1060904713 /nfs/dbraw/zinc/90/47/13/1060904713.db2.gz NJQKGBDHTOYYSS-INIZCTEOSA-N 1 0 341.411 4.234 20 5 EIBDRO CCC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)C ZINC000532929522 1032393837 /nfs/dbraw/zinc/39/38/37/1032393837.db2.gz CXRIAXNJKQWUDI-UHFFFAOYSA-N 1 0 331.416 4.160 20 5 EIBDRO C[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1cc2cccc(F)c2o1 ZINC000475708695 1032399299 /nfs/dbraw/zinc/39/92/99/1032399299.db2.gz YKFMWBXKFQMYPB-JTQLQIEISA-N 1 0 332.306 4.470 20 5 EIBDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000475721413 1032501241 /nfs/dbraw/zinc/50/12/41/1032501241.db2.gz AZNFBCZTZKPUIA-RBSFLKMASA-N 1 0 343.427 4.159 20 5 EIBDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000475742974 1032555929 /nfs/dbraw/zinc/55/59/29/1032555929.db2.gz VNJIWMRBVHCOEJ-MCIONIFRSA-N 1 0 329.400 4.116 20 5 EIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cccc(O)c1 ZINC000533255651 1032568709 /nfs/dbraw/zinc/56/87/09/1032568709.db2.gz AMMYBKKLIMEACX-UHFFFAOYSA-N 1 0 338.363 4.192 20 5 EIBDRO CCCNc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000577649107 1018883106 /nfs/dbraw/zinc/88/31/06/1018883106.db2.gz SPKAFYAOVQGJGY-SFHVURJKSA-N 1 0 325.412 4.194 20 5 EIBDRO COC1(C)CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000500705195 1032821911 /nfs/dbraw/zinc/82/19/11/1032821911.db2.gz XIHOMBQTTHLKFK-UHFFFAOYSA-N 1 0 346.452 4.324 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000430222805 1019477016 /nfs/dbraw/zinc/47/70/16/1019477016.db2.gz TVZOJNZUNOVZJY-GOSISDBHSA-N 1 0 346.814 4.498 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000430236455 1019554026 /nfs/dbraw/zinc/55/40/26/1019554026.db2.gz AXLWWOHSZKFWMM-CQSZACIVSA-N 1 0 346.349 4.014 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H]3c3ccccc3)o2)c1 ZINC000471188474 1019735066 /nfs/dbraw/zinc/73/50/66/1019735066.db2.gz WEJAXFFJGHBKMN-GOSISDBHSA-N 1 0 349.390 4.239 20 5 EIBDRO CC(C)(NCc1coc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000119114379 1020471025 /nfs/dbraw/zinc/47/10/25/1020471025.db2.gz JPVLLWOTGCRDAY-UHFFFAOYSA-N 1 0 337.379 4.275 20 5 EIBDRO Cc1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000120863079 1020550512 /nfs/dbraw/zinc/55/05/12/1020550512.db2.gz IQBLJAPCTZDOTG-HKUYNNGSSA-N 1 0 340.423 4.161 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(OC(F)(F)F)c1 ZINC000175750873 1020823043 /nfs/dbraw/zinc/82/30/43/1020823043.db2.gz GJXYLVCOKFZZKP-LLVKDONJSA-N 1 0 340.301 4.344 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCC[C@H]3c3ccccc3)nc2c1 ZINC000133915839 1020859684 /nfs/dbraw/zinc/85/96/84/1020859684.db2.gz DEEJAKNQVAPORB-HOTGVXAUSA-N 1 0 337.379 4.162 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCCOCC2CC2)c2ccccc2)c1 ZINC000180019466 1021339035 /nfs/dbraw/zinc/33/90/35/1021339035.db2.gz CXJIEDRMQKREAA-HXUWFJFHSA-N 1 0 340.423 4.091 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000580143977 1021750593 /nfs/dbraw/zinc/75/05/93/1021750593.db2.gz FOAVMUJFCUCEMB-WRWLIDTKSA-N 1 0 340.423 4.332 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000180094359 1021753497 /nfs/dbraw/zinc/75/34/97/1021753497.db2.gz YCETYQAIBXWOQG-IBGZPJMESA-N 1 0 326.396 4.153 20 5 EIBDRO CC(C)(C)OC1CC(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000580328010 1021772493 /nfs/dbraw/zinc/77/24/93/1021772493.db2.gz HLRWRMJMRXTTLD-MQBCKMQZSA-N 1 0 332.444 4.156 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000580550264 1021799109 /nfs/dbraw/zinc/79/91/09/1021799109.db2.gz BRMJZDKBCKHHBZ-JHJVBQTASA-N 1 0 332.425 4.151 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCCSC2)o1 ZINC000581093223 1021831051 /nfs/dbraw/zinc/83/10/51/1021831051.db2.gz HHCVWVVWHVGLDJ-CYBMUJFWSA-N 1 0 332.425 4.088 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@H]3CCCF)c2c1 ZINC000582383587 1021937010 /nfs/dbraw/zinc/93/70/10/1021937010.db2.gz GHRXYGYKTJEBAC-SUMWQHHRSA-N 1 0 333.407 4.127 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cncc(F)c1 ZINC000414143018 1021952753 /nfs/dbraw/zinc/95/27/53/1021952753.db2.gz LDCSYQGCVCWRGB-SWLSCSKDSA-N 1 0 349.431 4.350 20 5 EIBDRO CCc1ccc([C@@H]([NH2+]C[C@@H](C)CCOC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414182102 1022051772 /nfs/dbraw/zinc/05/17/72/1022051772.db2.gz AMIYRJSPCKVYCY-LIRRHRJNSA-N 1 0 346.427 4.102 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cccnc3)s2)cc1 ZINC000102419144 1022078669 /nfs/dbraw/zinc/07/86/69/1022078669.db2.gz DKPMFELUXAKXCD-UHFFFAOYSA-N 1 0 325.393 4.008 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCNc1ccccc1 ZINC000468631619 1022101671 /nfs/dbraw/zinc/10/16/71/1022101671.db2.gz PSBMBWYWNVPVFG-SSZFMOIBSA-N 1 0 325.412 4.090 20 5 EIBDRO COC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000290402007 1022138986 /nfs/dbraw/zinc/13/89/86/1022138986.db2.gz SYKFDILKZFUYSX-YVEFUNNKSA-N 1 0 334.803 4.287 20 5 EIBDRO CCc1ccc([C@H]([NH2+][C@H]2CS[C@@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414222064 1022204017 /nfs/dbraw/zinc/20/40/17/1022204017.db2.gz DYKJKABUTAJTID-WPKBUWHJSA-N 1 0 346.452 4.323 20 5 EIBDRO COc1cccc(CCC[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000468641606 1022296704 /nfs/dbraw/zinc/29/67/04/1022296704.db2.gz LOFSFVGMIDOZSY-VBKFSLOCSA-N 1 0 340.423 4.229 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)OCCc3sccc32)cc1[N+](=O)[O-] ZINC000580606024 1022300128 /nfs/dbraw/zinc/30/01/28/1022300128.db2.gz PAONOGTVBAXMLR-ACJLOTCBSA-N 1 0 346.452 4.103 20 5 EIBDRO COc1ccsc1[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000471601557 1022301367 /nfs/dbraw/zinc/30/13/67/1022301367.db2.gz JKEAKLZNYMMRAL-JTQLQIEISA-N 1 0 340.832 4.212 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1OC ZINC000584552395 1022350955 /nfs/dbraw/zinc/35/09/55/1022350955.db2.gz YZWQWJDEBCIDCK-AWEZNQCLSA-N 1 0 344.411 4.080 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000414282952 1022400350 /nfs/dbraw/zinc/40/03/50/1022400350.db2.gz OMFWQHKYRSWMSY-GHMZBOCLSA-N 1 0 334.338 4.233 20 5 EIBDRO CC[C@H](COC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000120229619 1022686351 /nfs/dbraw/zinc/68/63/51/1022686351.db2.gz ZQRALCRAHNRWDK-LLVKDONJSA-N 1 0 338.791 4.023 20 5 EIBDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000156732270 1022737876 /nfs/dbraw/zinc/73/78/76/1022737876.db2.gz SJTCUGYFGLHQGI-HNNXBMFYSA-N 1 0 344.415 4.045 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000177926801 1022847658 /nfs/dbraw/zinc/84/76/58/1022847658.db2.gz WOFAMOJZNCAHKJ-STQMWFEESA-N 1 0 332.425 4.153 20 5 EIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000581154653 1022861010 /nfs/dbraw/zinc/86/10/10/1022861010.db2.gz MZYUFXOBJRBIDK-TXEJJXNPSA-N 1 0 334.313 4.287 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCCc2ccccn2)c2ccccc2)c1 ZINC000180971503 1022871088 /nfs/dbraw/zinc/87/10/88/1022871088.db2.gz LGBAIDMEZPZTBT-OAQYLSRUSA-N 1 0 347.418 4.302 20 5 EIBDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])CCS2 ZINC000276074408 1022897240 /nfs/dbraw/zinc/89/72/40/1022897240.db2.gz AIAQIEWSSMMRKX-LRDDRELGSA-N 1 0 344.436 4.491 20 5 EIBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000181355123 1022966822 /nfs/dbraw/zinc/96/68/22/1022966822.db2.gz YTRLFTGFSBDAPT-CQSZACIVSA-N 1 0 337.379 4.143 20 5 EIBDRO CC(C)OC1CCC([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000090771436 1023219944 /nfs/dbraw/zinc/21/99/44/1023219944.db2.gz GPILHURIAPMMAA-FAEJEUNOSA-N 1 0 334.460 4.242 20 5 EIBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(C)cc1 ZINC000610581574 1023222392 /nfs/dbraw/zinc/22/23/92/1023222392.db2.gz UVILJQRYUSXSBD-UHFFFAOYSA-N 1 0 325.368 4.067 20 5 EIBDRO COCCC(C)(C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000545351388 1023357539 /nfs/dbraw/zinc/35/75/39/1023357539.db2.gz BVTOBYVMJHCWTA-UHFFFAOYSA-N 1 0 348.468 4.476 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc(-c3ccccc3)s2)cc1 ZINC000105448124 1023451851 /nfs/dbraw/zinc/45/18/51/1023451851.db2.gz ZBIAQOMWGAHXOO-UHFFFAOYSA-N 1 0 339.420 4.051 20 5 EIBDRO CC(C)[NH+](CCSCc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000160980825 1023470222 /nfs/dbraw/zinc/47/02/22/1023470222.db2.gz BCHCCOFYAVKTOZ-UHFFFAOYSA-N 1 0 337.445 4.088 20 5 EIBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132230 1023470887 /nfs/dbraw/zinc/47/08/87/1023470887.db2.gz JVDCBKYWVGOWGK-SJLPKXTDSA-N 1 0 346.452 4.256 20 5 EIBDRO CCOCc1ccccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000122641937 1023754972 /nfs/dbraw/zinc/75/49/72/1023754972.db2.gz HWDUDNOUFHOSEP-HNNXBMFYSA-N 1 0 328.412 4.291 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(C(C)(C)O)cc1 ZINC000925694773 1023788273 /nfs/dbraw/zinc/78/82/73/1023788273.db2.gz SUCOUVFWVMDKJT-ZIAGYGMSSA-N 1 0 328.412 4.234 20 5 EIBDRO COc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000175985951 1023883216 /nfs/dbraw/zinc/88/32/16/1023883216.db2.gz HBGMFJWEEGRDQV-UHFFFAOYSA-N 1 0 334.803 4.282 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)cs2)c1 ZINC000511844093 1023931843 /nfs/dbraw/zinc/93/18/43/1023931843.db2.gz PLBDGVYXIGDJRZ-GUYCJALGSA-N 1 0 343.452 4.483 20 5 EIBDRO CSCc1cc(F)ccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000124884086 1023978004 /nfs/dbraw/zinc/97/80/04/1023978004.db2.gz FSGFLZWNLBJFHM-GFCCVEGCSA-N 1 0 334.416 4.448 20 5 EIBDRO COc1ccc(CCC[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000108722225 1024073997 /nfs/dbraw/zinc/07/39/97/1024073997.db2.gz KELRKEYZKGPRBV-HNNXBMFYSA-N 1 0 328.412 4.229 20 5 EIBDRO Cc1ccc([C@H](C)[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000610581153 1024116468 /nfs/dbraw/zinc/11/64/68/1024116468.db2.gz GKPBFMXBILBCCQ-ZDUSSCGKSA-N 1 0 325.368 4.237 20 5 EIBDRO CCC[C@H]([NH2+]Cc1cccc(OC)c1OC)c1cccc([N+](=O)[O-])c1 ZINC000165963104 1024311096 /nfs/dbraw/zinc/31/10/96/1024311096.db2.gz JCQALOCZRVDZQI-KRWDZBQOSA-N 1 0 344.411 4.243 20 5 EIBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C1CC1)C1CC1 ZINC000549797540 1033204095 /nfs/dbraw/zinc/20/40/95/1033204095.db2.gz XSWCQJNKVLUQBU-UHFFFAOYSA-N 1 0 328.334 4.234 20 5 EIBDRO C[C@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000610741102 1024804820 /nfs/dbraw/zinc/80/48/20/1024804820.db2.gz DUNFEUFSVKXFCI-ZIAGYGMSSA-N 1 0 346.452 4.228 20 5 EIBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000610786814 1024850797 /nfs/dbraw/zinc/85/07/97/1024850797.db2.gz DCEYQJJCQNQWPT-AWEZNQCLSA-N 1 0 337.489 4.137 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1c(C)cc(C)nc1OC)c1cccc([N+](=O)[O-])c1 ZINC000610809628 1024992851 /nfs/dbraw/zinc/99/28/51/1024992851.db2.gz IWZFFFOFOSJSPO-GOSISDBHSA-N 1 0 343.427 4.246 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000342138549 1025295640 /nfs/dbraw/zinc/29/56/40/1025295640.db2.gz STBYYMYEAYFHMW-CQSZACIVSA-N 1 0 329.375 4.012 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CC(c3ccccc3Cl)C2)cc1 ZINC000320291391 1025344450 /nfs/dbraw/zinc/34/44/50/1025344450.db2.gz YTKQDWFWRNMEAI-UHFFFAOYSA-N 1 0 330.815 4.327 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc(O)c1 ZINC000105461303 1025375515 /nfs/dbraw/zinc/37/55/15/1025375515.db2.gz YFKXATFUZWAAQR-CYBMUJFWSA-N 1 0 338.363 4.411 20 5 EIBDRO Cc1ncsc1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000105494240 1025384927 /nfs/dbraw/zinc/38/49/27/1025384927.db2.gz MDVKDYKKPUKJOW-UHFFFAOYSA-N 1 0 345.449 4.378 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CCc2cc(F)c(OC)cc21)c1cccc([N+](=O)[O-])c1 ZINC000511001635 1025409523 /nfs/dbraw/zinc/40/95/23/1025409523.db2.gz TZCFCQGAKUDUMD-ZWKOTPCHSA-N 1 0 344.386 4.471 20 5 EIBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1(CC)CC ZINC001167819388 1025415205 /nfs/dbraw/zinc/41/52/05/1025415205.db2.gz MZABZHZAMNRLQR-DLBZAZTESA-N 1 0 338.423 4.150 20 5 EIBDRO CC1(C)CCC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236908770 1025436334 /nfs/dbraw/zinc/43/63/34/1025436334.db2.gz OQLLXWJYMWADKC-OAHLLOKOSA-N 1 0 331.441 4.387 20 5 EIBDRO Cn1cccc1C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000538719807 1025525987 /nfs/dbraw/zinc/52/59/87/1025525987.db2.gz JZCVFABTZLLRMV-UHFFFAOYSA-N 1 0 341.436 4.294 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000893621667 1025573469 /nfs/dbraw/zinc/57/34/69/1025573469.db2.gz UWAWUYAUIMKYMC-FUHWJXTLSA-N 1 0 346.814 4.258 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[C@H]2C2CCC2)cc(C(F)(F)F)c1 ZINC000511027878 1025665452 /nfs/dbraw/zinc/66/54/52/1025665452.db2.gz JIFWHZFGMFDIRP-GJZGRUSLSA-N 1 0 328.334 4.282 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[N@H+](Cc2ccco2)C2CCCC2)cc1 ZINC000065535215 1025722893 /nfs/dbraw/zinc/72/28/93/1025722893.db2.gz QVACKXSTVSQMSN-UHFFFAOYSA-N 1 0 330.384 4.011 20 5 EIBDRO COc1ccc(C2([NH2+]Cc3csc([N+](=O)[O-])c3)CCCC2)cc1 ZINC000072961106 1025758450 /nfs/dbraw/zinc/75/84/50/1025758450.db2.gz FMBDZIPHCURQAD-UHFFFAOYSA-N 1 0 332.425 4.224 20 5 EIBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C)c2)[NH+]2CCCC2)o1 ZINC000506796875 1025761197 /nfs/dbraw/zinc/76/11/97/1025761197.db2.gz JNKSXJROIWOMKO-KRWDZBQOSA-N 1 0 329.400 4.054 20 5 EIBDRO Cc1cccnc1C(C)(C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000569396643 1025791904 /nfs/dbraw/zinc/79/19/04/1025791904.db2.gz HMMDOUXBRLVJFK-HNNXBMFYSA-N 1 0 327.428 4.235 20 5 EIBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000539083396 1025801493 /nfs/dbraw/zinc/80/14/93/1025801493.db2.gz IDQAEMJPHGTIIO-YVEFUNNKSA-N 1 0 334.803 4.287 20 5 EIBDRO C[C@@H]([NH2+]CCC1CC(O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000432408740 1025874635 /nfs/dbraw/zinc/87/46/35/1025874635.db2.gz CSRUAXLOVUFYSV-IYXRBSQSSA-N 1 0 346.452 4.135 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000119707863 1025995458 /nfs/dbraw/zinc/99/54/58/1025995458.db2.gz WUNBIEUMRDBPSF-STQMWFEESA-N 1 0 329.356 4.223 20 5 EIBDRO CC[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000279120774 1026106415 /nfs/dbraw/zinc/10/64/15/1026106415.db2.gz QBUSMPJXCGMSNY-QZTJIDSGSA-N 1 0 325.412 4.453 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc(C2CC2)cc1F ZINC000571416471 1026200714 /nfs/dbraw/zinc/20/07/14/1026200714.db2.gz JRTMTQZHCQZBJF-GOSISDBHSA-N 1 0 326.371 4.388 20 5 EIBDRO CCC[C@H](NC1CC[NH+](C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000119864582 1026213174 /nfs/dbraw/zinc/21/31/74/1026213174.db2.gz AEXRGKQINKOZPW-SFHVURJKSA-N 1 0 333.476 4.289 20 5 EIBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c2c(n1)CCCC2 ZINC000894658267 1026291203 /nfs/dbraw/zinc/29/12/03/1026291203.db2.gz SUFOQYBXENCZPD-AWEZNQCLSA-N 1 0 325.412 4.028 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000158218433 1026368664 /nfs/dbraw/zinc/36/86/64/1026368664.db2.gz QWCLOKPNJLKKIH-BJZITVGISA-N 1 0 326.396 4.166 20 5 EIBDRO COc1ccc(C[NH2+]Cc2cc3ccccc3s2)cc1[N+](=O)[O-] ZINC000550227054 1026377825 /nfs/dbraw/zinc/37/78/25/1026377825.db2.gz MNANYIAJPRGBQB-UHFFFAOYSA-N 1 0 328.393 4.108 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCc3occc32)cc(C(F)(F)F)c1 ZINC000279414799 1026420774 /nfs/dbraw/zinc/42/07/74/1026420774.db2.gz FEDHZPWSWSUBGY-AWEZNQCLSA-N 1 0 340.301 4.374 20 5 EIBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1=Cc2ccccc2OC1 ZINC000507188986 1026677150 /nfs/dbraw/zinc/67/71/50/1026677150.db2.gz SOWAKCFGJIPOFT-UHFFFAOYSA-N 1 0 338.407 4.281 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](CC2=Cc3ccccc3OC2)C2CC2)cc1 ZINC000507170146 1026681807 /nfs/dbraw/zinc/68/18/07/1026681807.db2.gz ZKUZUOVCBUATEJ-UHFFFAOYSA-N 1 0 336.391 4.035 20 5 EIBDRO C[C@@H](CC[N@H+](C)CCc1ccccc1[N+](=O)[O-])OCc1ccccc1 ZINC000511138846 1026712733 /nfs/dbraw/zinc/71/27/33/1026712733.db2.gz GVSSVPXVQADJJN-KRWDZBQOSA-N 1 0 342.439 4.065 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2O1 ZINC000345014491 1026753084 /nfs/dbraw/zinc/75/30/84/1026753084.db2.gz FDTNEMFYVMQVFS-MRXNPFEDSA-N 1 0 330.359 4.126 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000479257254 1026791979 /nfs/dbraw/zinc/79/19/79/1026791979.db2.gz PQZKYLZYNUOLLO-OAHLLOKOSA-N 1 0 332.787 4.034 20 5 EIBDRO CC[C@H](C)[N@H+](Cc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000507693939 1026876053 /nfs/dbraw/zinc/87/60/53/1026876053.db2.gz MSXFTOQCPGJXTG-HNNXBMFYSA-N 1 0 328.412 4.404 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000075866275 1027059415 /nfs/dbraw/zinc/05/94/15/1027059415.db2.gz FJDKFFWPMDVSIG-WMZOPIPTSA-N 1 0 340.423 4.195 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(-n2cccn2)c1 ZINC000178660927 1027265845 /nfs/dbraw/zinc/26/58/45/1027265845.db2.gz PXSRTDYENPMCRZ-LSDHHAIUSA-N 1 0 336.395 4.192 20 5 EIBDRO COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000121922851 1027328440 /nfs/dbraw/zinc/32/84/40/1027328440.db2.gz XMCDOBQYGSOGNA-ACJLOTCBSA-N 1 0 326.396 4.250 20 5 EIBDRO COc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000121922523 1027333712 /nfs/dbraw/zinc/33/37/12/1027333712.db2.gz XMCDOBQYGSOGNA-FZKQIMNGSA-N 1 0 326.396 4.250 20 5 EIBDRO C[C@@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)c1ccc([N+](=O)[O-])cc1 ZINC000896511746 1027519638 /nfs/dbraw/zinc/51/96/38/1027519638.db2.gz ZUDBHGBQFCDQFT-SECBINFHSA-N 1 0 345.346 4.007 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000161619941 1027648173 /nfs/dbraw/zinc/64/81/73/1027648173.db2.gz LWQUDEXYKCAQAB-CMIBUVNPSA-N 1 0 346.452 4.134 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000178729928 1027772574 /nfs/dbraw/zinc/77/25/74/1027772574.db2.gz BFQZGPQZDURQPL-CQSZACIVSA-N 1 0 344.411 4.241 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000237320696 1027791042 /nfs/dbraw/zinc/79/10/42/1027791042.db2.gz SAKPKOICGZUWGB-OAHLLOKOSA-N 1 0 332.787 4.034 20 5 EIBDRO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000444660190 1027933473 /nfs/dbraw/zinc/93/34/73/1027933473.db2.gz IXAQDPWKZIFWKZ-XJKSGUPXSA-N 1 0 344.415 4.045 20 5 EIBDRO CCc1ccc(C(C)(C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444688161 1027969329 /nfs/dbraw/zinc/96/93/29/1027969329.db2.gz XSFBHEWWFBDXTL-UHFFFAOYSA-N 1 0 338.411 4.058 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C)c1ccncc1OC)c1cccc([N+](=O)[O-])c1 ZINC000188795945 1028035388 /nfs/dbraw/zinc/03/53/88/1028035388.db2.gz IBFAHAHBCKBIEE-GUYCJALGSA-N 1 0 329.400 4.190 20 5 EIBDRO CC[C@]1(C)CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000536350435 1028091823 /nfs/dbraw/zinc/09/18/23/1028091823.db2.gz XFAQJPVXKKTZSZ-GOSISDBHSA-N 1 0 329.400 4.262 20 5 EIBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000524266224 1028834617 /nfs/dbraw/zinc/83/46/17/1028834617.db2.gz ZUXNPJQPLOKEOG-CQSZACIVSA-N 1 0 342.443 4.065 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[N@H+](Cc2ccc(F)cc2F)C2CC2)cc1 ZINC000524425761 1028958184 /nfs/dbraw/zinc/95/81/84/1028958184.db2.gz QNNDWSFLKRYHPJ-UHFFFAOYSA-N 1 0 332.350 4.080 20 5 EIBDRO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCC(C)(C)CC1 ZINC000446713339 1029533620 /nfs/dbraw/zinc/53/36/20/1029533620.db2.gz WQXLFCIJNNCCBC-UHFFFAOYSA-N 1 0 344.415 4.045 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000475334777 1029549035 /nfs/dbraw/zinc/54/90/35/1029549035.db2.gz QYOSYBDCICGBDA-RDJZCZTQSA-N 1 0 344.386 4.168 20 5 EIBDRO CO[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(C)C ZINC000525289828 1029560203 /nfs/dbraw/zinc/56/02/03/1029560203.db2.gz LXPJOJAQNSVFIT-MRXNPFEDSA-N 1 0 334.441 4.084 20 5 EIBDRO COc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000573162250 1029697358 /nfs/dbraw/zinc/69/73/58/1029697358.db2.gz ZOFMLUAVAGVLFV-CHWSQXEVSA-N 1 0 346.349 4.062 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000340524052 1029729912 /nfs/dbraw/zinc/72/99/12/1029729912.db2.gz JZHZXJLIXUMWDK-ACJLOTCBSA-N 1 0 326.396 4.337 20 5 EIBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000237504729 1030020395 /nfs/dbraw/zinc/02/03/95/1030020395.db2.gz OPJQZROKDCSXOM-TZMCWYRMSA-N 1 0 331.441 4.387 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCOc3ccccc31)CCC2 ZINC000447536357 1030142338 /nfs/dbraw/zinc/14/23/38/1030142338.db2.gz MQGXEUSYEQMEPC-BEFAXECRSA-N 1 0 338.407 4.128 20 5 EIBDRO COc1ccc(Cl)cc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447536589 1030142816 /nfs/dbraw/zinc/14/28/16/1030142816.db2.gz ONIQZQHLFAHQFE-KRWDZBQOSA-N 1 0 346.814 4.424 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCNc1ccccc1)CCC2 ZINC000447538743 1030145703 /nfs/dbraw/zinc/14/57/03/1030145703.db2.gz CWTLJHBZJQPJIE-IBGZPJMESA-N 1 0 325.412 4.064 20 5 EIBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(C2CC2)c1 ZINC000451118058 1030245695 /nfs/dbraw/zinc/24/56/95/1030245695.db2.gz WPOHYYCWHMABJQ-LBPRGKRZSA-N 1 0 336.395 4.199 20 5 EIBDRO CC(C)OC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000451103406 1030248005 /nfs/dbraw/zinc/24/80/05/1030248005.db2.gz NQJKLUBVHMWXEA-AWEZNQCLSA-N 1 0 342.395 4.011 20 5 EIBDRO Cc1nc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)sc1C ZINC000451549699 1030568044 /nfs/dbraw/zinc/56/80/44/1030568044.db2.gz QHPOMHLUSXVACP-HNNXBMFYSA-N 1 0 331.441 4.048 20 5 EIBDRO COC[C@H](NCc1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000530730147 1030664791 /nfs/dbraw/zinc/66/47/91/1030664791.db2.gz RAPSXBUZGIYPGY-SFHVURJKSA-N 1 0 346.402 4.335 20 5 EIBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000611983750 1030679735 /nfs/dbraw/zinc/67/97/35/1030679735.db2.gz GFKOEBJITGRZDY-GOSISDBHSA-N 1 0 339.439 4.178 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2CCC2CCCC2)cc1 ZINC001168175582 1030681442 /nfs/dbraw/zinc/68/14/42/1030681442.db2.gz OKNQIRVEPUWKCA-PKOBYXMFSA-N 1 0 332.444 4.063 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000530973850 1030822668 /nfs/dbraw/zinc/82/26/68/1030822668.db2.gz FBKNKEZIEHWIQL-PJHJGJPPSA-N 1 0 326.396 4.199 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(OC(C)(C)C)c1 ZINC000237748036 1030863031 /nfs/dbraw/zinc/86/30/31/1030863031.db2.gz JVLHDJMEHXUFPL-UHFFFAOYSA-N 1 0 328.412 4.370 20 5 EIBDRO Cc1cccc2c(CC[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])c[nH]c21 ZINC000237765328 1030866022 /nfs/dbraw/zinc/86/60/22/1030866022.db2.gz FEIVICFQQRUWEX-VMPITWQZSA-N 1 0 335.407 4.230 20 5 EIBDRO CC(C)c1ccc(C[NH2+]Cc2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000531250224 1031023474 /nfs/dbraw/zinc/02/34/74/1031023474.db2.gz PCKJJTUHYIYXDP-UHFFFAOYSA-N 1 0 327.428 4.074 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000614817236 1031024212 /nfs/dbraw/zinc/02/42/12/1031024212.db2.gz AOHYEPGJWYUEFG-FUHWJXTLSA-N 1 0 328.387 4.202 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000449074120 1031429209 /nfs/dbraw/zinc/42/92/09/1031429209.db2.gz OWSIZCYLMMFATO-LMWSTFAQSA-N 1 0 330.350 4.237 20 5 EIBDRO CC[N@H+](CCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(C)C ZINC000520220019 1031470277 /nfs/dbraw/zinc/47/02/77/1031470277.db2.gz UEDOPIVDJTTYKU-UHFFFAOYSA-N 1 0 347.484 4.143 20 5 EIBDRO Cc1csc([C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000449169747 1031491938 /nfs/dbraw/zinc/49/19/38/1031491938.db2.gz DRPSRCBBDUQACS-BDJLRTHQSA-N 1 0 331.441 4.032 20 5 EIBDRO COc1ccc2c(c1)CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C2 ZINC000612419819 1031500499 /nfs/dbraw/zinc/50/04/99/1031500499.db2.gz VLKVHPAOOAWLHN-PBHICJAKSA-N 1 0 340.423 4.120 20 5 EIBDRO COc1cccc(O[C@H](C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000531728053 1031507922 /nfs/dbraw/zinc/50/79/22/1031507922.db2.gz DELKLMNAJSUGTN-HUUCEWRRSA-N 1 0 344.411 4.030 20 5 EIBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H](c2cccs2)C2CC2)cc1 ZINC000612457966 1031547386 /nfs/dbraw/zinc/54/73/86/1031547386.db2.gz KRPJIOFPDWXTBP-QGZVFWFLSA-N 1 0 332.425 4.166 20 5 EIBDRO COc1ccc2c(c1F)CC[C@H]2[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000290174243 1031667904 /nfs/dbraw/zinc/66/79/04/1031667904.db2.gz DWEHRZTVPITXKU-IAQYHMDHSA-N 1 0 330.359 4.081 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000449353427 1031673797 /nfs/dbraw/zinc/67/37/97/1031673797.db2.gz BICSIMNRUAPTLQ-HKUYNNGSSA-N 1 0 346.471 4.102 20 5 EIBDRO C[C@H](CCCc1cccnc1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000453201199 1031711284 /nfs/dbraw/zinc/71/12/84/1031711284.db2.gz WDTIVDIYXYEINK-CQSZACIVSA-N 1 0 347.846 4.187 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1N(C)C ZINC000453248972 1031770709 /nfs/dbraw/zinc/77/07/09/1031770709.db2.gz TUDCCQFEZJHKMA-QWHCGFSZSA-N 1 0 331.391 4.212 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cc4cccnc4o3)C2)cc1 ZINC000449503217 1031811597 /nfs/dbraw/zinc/81/15/97/1031811597.db2.gz SZQPCFPVYODUNZ-MRXNPFEDSA-N 1 0 337.379 4.116 20 5 EIBDRO CC(C)Oc1ccc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000531943217 1031824294 /nfs/dbraw/zinc/82/42/94/1031824294.db2.gz AZDBKRWGHGJMKN-OAHLLOKOSA-N 1 0 328.412 4.275 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000453318987 1031844962 /nfs/dbraw/zinc/84/49/62/1031844962.db2.gz MSAMIQLHSLPVGS-RDTXWAMCSA-N 1 0 344.455 4.256 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)C1CC1 ZINC000531947701 1031859223 /nfs/dbraw/zinc/85/92/23/1031859223.db2.gz GXJABKWAFMPEAY-WOJBJXKFSA-N 1 0 336.435 4.063 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCc2ccccc2C1)C1CC1 ZINC000531947699 1031859833 /nfs/dbraw/zinc/85/98/33/1031859833.db2.gz GXJABKWAFMPEAY-UXHICEINSA-N 1 0 336.435 4.063 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCC[C@@H]2CCOC2)s1 ZINC000449683491 1031927847 /nfs/dbraw/zinc/92/78/47/1031927847.db2.gz NTNBTTQVXXWLTM-CQSZACIVSA-N 1 0 346.452 4.230 20 5 EIBDRO CCOc1cc(C)ccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000531992133 1031959847 /nfs/dbraw/zinc/95/98/47/1031959847.db2.gz GFURMVHTVSPLQV-HNNXBMFYSA-N 1 0 328.412 4.461 20 5 EIBDRO CCC[C@H]([NH2+][C@H](CO)c1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000531995086 1031962051 /nfs/dbraw/zinc/96/20/51/1031962051.db2.gz WZERUZYVXGRGIT-RBUKOAKNSA-N 1 0 328.412 4.068 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000433083806 1033816553 /nfs/dbraw/zinc/81/65/53/1033816553.db2.gz PARHBEHXEHPCCH-SJORKVTESA-N 1 0 339.439 4.162 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453422348 1034055236 /nfs/dbraw/zinc/05/52/36/1034055236.db2.gz LSZMUPWTHITPOO-XNRPHZJLSA-N 1 0 332.425 4.227 20 5 EIBDRO C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000433221830 1034069725 /nfs/dbraw/zinc/06/97/25/1034069725.db2.gz RRVNIZZUTZBVCD-HBUWYVDXSA-N 1 0 332.444 4.112 20 5 EIBDRO CC1(C)C[C@H]([NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433238061 1034077354 /nfs/dbraw/zinc/07/73/54/1034077354.db2.gz CVUSXASWTZTSHT-NSHGMRRFSA-N 1 0 344.455 4.112 20 5 EIBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000512880367 1034122261 /nfs/dbraw/zinc/12/22/61/1034122261.db2.gz SRLOTRYERTWDPN-RISCZKNCSA-N 1 0 334.466 4.164 20 5 EIBDRO CC(C)(C)[NH+]1CCC(N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433286186 1034172420 /nfs/dbraw/zinc/17/24/20/1034172420.db2.gz UJIUJSRUIJFSJG-GOSISDBHSA-N 1 0 345.487 4.170 20 5 EIBDRO CCC(CC)(CCO)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433285532 1034187870 /nfs/dbraw/zinc/18/78/70/1034187870.db2.gz IETRCPVPJXDASA-KRWDZBQOSA-N 1 0 334.460 4.096 20 5 EIBDRO CC1(C)C[C@@H]([NH2+][C@@H](c2cccnc2)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433304340 1034198774 /nfs/dbraw/zinc/19/87/74/1034198774.db2.gz MYNHMYUKCSFSQI-RTBURBONSA-N 1 0 337.423 4.453 20 5 EIBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(C2CC2)cc1 ZINC000419327421 1034305944 /nfs/dbraw/zinc/30/59/44/1034305944.db2.gz CXOHFJYTZROHMQ-GFCCVEGCSA-N 1 0 336.395 4.199 20 5 EIBDRO COCc1ccc([C@@H]2CCC[N@@H+]2C/C=C/c2ccccc2[N+](=O)[O-])o1 ZINC000137077292 1034556667 /nfs/dbraw/zinc/55/66/67/1034556667.db2.gz IGMCNRLXJWSASR-UKTKYZJWSA-N 1 0 342.395 4.185 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595014144 1035505018 /nfs/dbraw/zinc/50/50/18/1035505018.db2.gz LHJJYLZCSSTUFU-STQMWFEESA-N 1 0 330.384 4.024 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000595020229 1035508132 /nfs/dbraw/zinc/50/81/32/1035508132.db2.gz WKMXYEBBDDMTSW-SCLBCKFNSA-N 1 0 326.396 4.250 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000595022085 1035510835 /nfs/dbraw/zinc/51/08/35/1035510835.db2.gz ICAQUFLVZWPZCN-ZDUSSCGKSA-N 1 0 344.386 4.473 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595003688 1035529813 /nfs/dbraw/zinc/52/98/13/1035529813.db2.gz JQIBJPDQDIGTNS-ZIAGYGMSSA-N 1 0 344.411 4.414 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCSc2ccccc21 ZINC000595007218 1035531214 /nfs/dbraw/zinc/53/12/14/1035531214.db2.gz KCVXDABUFGIZQJ-WBMJQRKESA-N 1 0 344.436 4.491 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CCC2(CSC)CC2)cc1[N+](=O)[O-] ZINC000595070310 1035552392 /nfs/dbraw/zinc/55/23/92/1035552392.db2.gz NEILMXOKCUGXFQ-ZDUSSCGKSA-N 1 0 338.473 4.177 20 5 EIBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cc2cnccc2o1 ZINC000595028765 1035558974 /nfs/dbraw/zinc/55/89/74/1035558974.db2.gz UMRRNESVWMCZKK-CQSZACIVSA-N 1 0 339.395 4.410 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)Nc1cc(C[NH+](C)C)ccc1C ZINC000595032229 1035562101 /nfs/dbraw/zinc/56/21/01/1035562101.db2.gz IUBNKJUAECGZFD-CQSZACIVSA-N 1 0 343.427 4.147 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1csc(C(C)C)n1 ZINC000595040883 1035563879 /nfs/dbraw/zinc/56/38/79/1035563879.db2.gz PIUPYQXHBHYVIK-LBPRGKRZSA-N 1 0 349.456 4.077 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cccc(CSC)c1 ZINC000595042677 1035565436 /nfs/dbraw/zinc/56/54/36/1035565436.db2.gz UVYOYZIXAIOONL-CYBMUJFWSA-N 1 0 346.452 4.317 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)CCCC(F)(F)F ZINC000595047105 1035567883 /nfs/dbraw/zinc/56/78/83/1035567883.db2.gz RCUIZKZSBYHGGP-GHMZBOCLSA-N 1 0 334.338 4.375 20 5 EIBDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)CC(F)(F)F ZINC000595051225 1035570092 /nfs/dbraw/zinc/57/00/92/1035570092.db2.gz LTUHEHWZFWATFN-WDEREUQCSA-N 1 0 334.338 4.233 20 5 EIBDRO CC[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(OC)cc1 ZINC000574890078 1035574424 /nfs/dbraw/zinc/57/44/24/1035574424.db2.gz MXPHSMNPKFYMDC-MSOLQXFVSA-N 1 0 326.396 4.332 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cnccc1C ZINC000595074748 1035588595 /nfs/dbraw/zinc/58/85/95/1035588595.db2.gz VIYHAJWNDDEXGN-INIZCTEOSA-N 1 0 345.468 4.001 20 5 EIBDRO COCCCC[N@H+](Cc1ccccc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595294546 1035618771 /nfs/dbraw/zinc/61/87/71/1035618771.db2.gz NWFWVIFHSSLUJI-UHFFFAOYSA-N 1 0 346.402 4.163 20 5 EIBDRO CC(C)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCCC1 ZINC000491134638 1035808353 /nfs/dbraw/zinc/80/83/53/1035808353.db2.gz VYSQCFVNVFNGOP-UHFFFAOYSA-N 1 0 344.415 4.188 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cnccc1C(F)(F)F ZINC000596114344 1035828686 /nfs/dbraw/zinc/82/86/86/1035828686.db2.gz AKTKAZSTAQFSAJ-LLVKDONJSA-N 1 0 339.317 4.168 20 5 EIBDRO Cc1cc(N2CCC3(CCC([NH+](C)C)CC3)CC2)c([N+](=O)[O-])s1 ZINC000596255381 1035844545 /nfs/dbraw/zinc/84/45/45/1035844545.db2.gz OCKOKSKBGIVDML-UHFFFAOYSA-N 1 0 337.489 4.056 20 5 EIBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000060082236 1035852872 /nfs/dbraw/zinc/85/28/72/1035852872.db2.gz WKNSZVMPSOBVFH-UHFFFAOYSA-N 1 0 343.402 4.058 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000502245813 1035969807 /nfs/dbraw/zinc/96/98/07/1035969807.db2.gz BQOIPHWPESGREJ-LESCRADOSA-N 1 0 325.412 4.367 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000502245818 1035974191 /nfs/dbraw/zinc/97/41/91/1035974191.db2.gz BQOIPHWPESGREJ-YXJHDRRASA-N 1 0 325.412 4.367 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](c1cccnc1)C(C)C ZINC000164158819 1035982308 /nfs/dbraw/zinc/98/23/08/1035982308.db2.gz XPPFTCFTAKOSBH-DNVCBOLYSA-N 1 0 327.428 4.389 20 5 EIBDRO C[C@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1ccc([N+](=O)[O-])cc1 ZINC000593320705 1036177965 /nfs/dbraw/zinc/17/79/65/1036177965.db2.gz DLUFJZRQDZODIL-WMLDXEAASA-N 1 0 325.412 4.062 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000485706944 1036181474 /nfs/dbraw/zinc/18/14/74/1036181474.db2.gz CJLVQWHWBAYLET-GFCCVEGCSA-N 1 0 327.409 4.364 20 5 EIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc3ncsc3c2)cc1[N+](=O)[O-] ZINC000485708576 1036184868 /nfs/dbraw/zinc/18/48/68/1036184868.db2.gz AYPNHGGURRTYDE-GFCCVEGCSA-N 1 0 327.409 4.364 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(OCCC(C)C)CC1 ZINC000485710463 1036188058 /nfs/dbraw/zinc/18/80/58/1036188058.db2.gz SJAJVRZQUCKIAU-INIZCTEOSA-N 1 0 334.460 4.491 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000502522831 1036290389 /nfs/dbraw/zinc/29/03/89/1036290389.db2.gz NHHLHYSQLCURGU-NILFDRSVSA-N 1 0 328.359 4.104 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421384217 1036343069 /nfs/dbraw/zinc/34/30/69/1036343069.db2.gz OYMGWVCLNPBWSU-MBSJSRAVSA-N 1 0 332.469 4.121 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCSC3)o2)cc1 ZINC000588928752 1036605865 /nfs/dbraw/zinc/60/58/65/1036605865.db2.gz QOKLAWWQCCJJLD-ZDUSSCGKSA-N 1 0 332.425 4.088 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@H]3C[C@@H]3c3ccccc3)c2c1 ZINC000588933815 1036609148 /nfs/dbraw/zinc/60/91/48/1036609148.db2.gz AAAGYRYAJWGOIH-SJLPKXTDSA-N 1 0 335.407 4.012 20 5 EIBDRO CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000060877162 1036626348 /nfs/dbraw/zinc/62/63/48/1036626348.db2.gz SZGDYIVEQYQRQR-OAHLLOKOSA-N 1 0 344.415 4.045 20 5 EIBDRO Cn1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)c([N+](=O)[O-])n1 ZINC000602806111 1036627575 /nfs/dbraw/zinc/62/75/75/1036627575.db2.gz OZRRPPSSXORVDQ-MRXNPFEDSA-N 1 0 348.834 4.003 20 5 EIBDRO COc1ccccc1C[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000237257911 1036702398 /nfs/dbraw/zinc/70/23/98/1036702398.db2.gz VPYDLZNNOBTYNJ-LSDHHAIUSA-N 1 0 328.412 4.194 20 5 EIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)CC3 ZINC000486457453 1036708756 /nfs/dbraw/zinc/70/87/56/1036708756.db2.gz HBEUSQFWOUKFRJ-OAHLLOKOSA-N 1 0 335.407 4.032 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1cc(OC)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000598679831 1036745479 /nfs/dbraw/zinc/74/54/79/1036745479.db2.gz NKDCOAMRWHWUOR-GOSISDBHSA-N 1 0 332.375 4.374 20 5 EIBDRO Cc1cc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc(C)n1 ZINC000421855607 1036809975 /nfs/dbraw/zinc/80/99/75/1036809975.db2.gz MTRBSIYDCWCGSS-SFHVURJKSA-N 1 0 325.412 4.119 20 5 EIBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2csc(C(F)(F)F)c2)c1 ZINC000598978488 1036838793 /nfs/dbraw/zinc/83/87/93/1036838793.db2.gz UWQXPLDFVSSHNW-UHFFFAOYSA-N 1 0 330.331 4.007 20 5 EIBDRO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)cn1 ZINC000599094824 1036877083 /nfs/dbraw/zinc/87/70/83/1036877083.db2.gz YXWDCGHMCJNDGT-DJJJIMSYSA-N 1 0 341.411 4.109 20 5 EIBDRO COc1ccc([C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C2CC2)cn1 ZINC000599095929 1036877161 /nfs/dbraw/zinc/87/71/61/1036877161.db2.gz JITORGYYHRSQMR-DJJJIMSYSA-N 1 0 341.411 4.109 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)o1 ZINC000593695617 1036902336 /nfs/dbraw/zinc/90/23/36/1036902336.db2.gz SMYRNIROXJAPPG-MRXNPFEDSA-N 1 0 334.322 4.086 20 5 EIBDRO Cc1c(C[NH2+]Cc2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000231883976 1037009718 /nfs/dbraw/zinc/00/97/18/1037009718.db2.gz CZVOHVNDGUTFSN-UHFFFAOYSA-N 1 0 325.195 4.500 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC000603890326 1037077191 /nfs/dbraw/zinc/07/71/91/1037077191.db2.gz ZVBXLIAZBAENAF-SFHVURJKSA-N 1 0 349.434 4.498 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000603890289 1037078186 /nfs/dbraw/zinc/07/81/86/1037078186.db2.gz XXKKLFLWLNGSHV-MRXNPFEDSA-N 1 0 335.407 4.456 20 5 EIBDRO C[C@H]1c2ccsc2CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604012531 1037147655 /nfs/dbraw/zinc/14/76/55/1037147655.db2.gz MOFNFTBUFWORTD-ZDUSSCGKSA-N 1 0 332.425 4.045 20 5 EIBDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000604013343 1037150663 /nfs/dbraw/zinc/15/06/63/1037150663.db2.gz BSENXXNXKMYHGK-KRWDZBQOSA-N 1 0 326.396 4.249 20 5 EIBDRO Cc1cccc([C@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])c1 ZINC000604016820 1037151418 /nfs/dbraw/zinc/15/14/18/1037151418.db2.gz FAFVPKVOSKAGRJ-QGZVFWFLSA-N 1 0 326.396 4.119 20 5 EIBDRO Cc1c([C@H](C)[NH2+]C2CCC(OC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000590780135 1037162637 /nfs/dbraw/zinc/16/26/37/1037162637.db2.gz NHCJZJUCOCAOMF-HIFPTAJRSA-N 1 0 328.359 4.104 20 5 EIBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604520686 1037404445 /nfs/dbraw/zinc/40/44/45/1037404445.db2.gz CBVIPPNTAUSFOJ-ICSRJNTNSA-N 1 0 340.423 4.195 20 5 EIBDRO C[C@H]1CSCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000488372723 1037550184 /nfs/dbraw/zinc/55/01/84/1037550184.db2.gz UVLNXMNNYVUYEZ-CYBMUJFWSA-N 1 0 332.425 4.040 20 5 EIBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CS1 ZINC000488527422 1037650306 /nfs/dbraw/zinc/65/03/06/1037650306.db2.gz BRVBBBQNLVUNJF-SMDDNHRTSA-N 1 0 328.865 4.258 20 5 EIBDRO CCCCCn1cc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000503271526 1037664582 /nfs/dbraw/zinc/66/45/82/1037664582.db2.gz WUJWQUIYSUKGBP-NTMALXAHSA-N 1 0 342.443 4.093 20 5 EIBDRO CC/C=C/CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132925 1037740213 /nfs/dbraw/zinc/74/02/13/1037740213.db2.gz PNZHYPVTJXMYRK-CTWCUAEASA-N 1 0 332.444 4.057 20 5 EIBDRO COc1cc(C[NH2+][C@]2(c3ccc(Cl)cc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000503407025 1037740048 /nfs/dbraw/zinc/74/00/48/1037740048.db2.gz MVSXHOXZLWZRRN-KZULUSFZSA-N 1 0 346.814 4.282 20 5 EIBDRO COc1ccccc1C1([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000592393122 1037782762 /nfs/dbraw/zinc/78/27/62/1037782762.db2.gz FAPVRKBPHBMCRP-SFHVURJKSA-N 1 0 338.407 4.260 20 5 EIBDRO CCCO[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172179800 1037888569 /nfs/dbraw/zinc/88/85/69/1037888569.db2.gz ALGFMYDNYWJQRE-HNNXBMFYSA-N 1 0 326.824 4.029 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@@H]2CCCCO2)s1 ZINC000503929953 1038021726 /nfs/dbraw/zinc/02/17/26/1038021726.db2.gz OIKSDFHOOSUWLU-AWEZNQCLSA-N 1 0 346.452 4.372 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000029148858 1038227570 /nfs/dbraw/zinc/22/75/70/1038227570.db2.gz GWXZHQRLRRNMSW-GOSISDBHSA-N 1 0 332.375 4.229 20 5 EIBDRO COc1cc(Cl)ccc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574530551 1038288896 /nfs/dbraw/zinc/28/88/96/1038288896.db2.gz CDXBPCQWIRDCIW-HNNXBMFYSA-N 1 0 332.787 4.034 20 5 EIBDRO CC(C)(C)c1nc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cs1 ZINC000594503570 1038351381 /nfs/dbraw/zinc/35/13/81/1038351381.db2.gz YSRUOTRZHXKTHF-HNNXBMFYSA-N 1 0 345.468 4.168 20 5 EIBDRO CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594521803 1038361124 /nfs/dbraw/zinc/36/11/24/1038361124.db2.gz VBUNUPISYXDQAB-QGZVFWFLSA-N 1 0 325.412 4.064 20 5 EIBDRO COC1CC(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000594969569 1038480111 /nfs/dbraw/zinc/48/01/11/1038480111.db2.gz XCWRKMJZUUIWKN-UHFFFAOYSA-N 1 0 346.452 4.228 20 5 EIBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000480762655 1038801487 /nfs/dbraw/zinc/80/14/87/1038801487.db2.gz KQOQEXQJODEDBL-AYBZRNKSSA-N 1 0 334.460 4.099 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000539083113 1038814709 /nfs/dbraw/zinc/81/47/09/1038814709.db2.gz GPLYRWKYRVOXFH-OAHLLOKOSA-N 1 0 328.412 4.277 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]CCSc2ccccc2)cc1[N+](=O)[O-] ZINC000504896337 1038841637 /nfs/dbraw/zinc/84/16/37/1038841637.db2.gz YBJUIHLFLSITQC-CQSZACIVSA-N 1 0 346.452 4.436 20 5 EIBDRO CCCCn1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000539214864 1038885101 /nfs/dbraw/zinc/88/51/01/1038885101.db2.gz XZCWJWXYWRRLGX-AWEZNQCLSA-N 1 0 330.432 4.059 20 5 EIBDRO COc1cc(NCc2ccccc2C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000462089998 1038897426 /nfs/dbraw/zinc/89/74/26/1038897426.db2.gz BSNJHZBCWZNOSS-UHFFFAOYSA-N 1 0 343.427 4.056 20 5 EIBDRO C[C@H](N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000555226027 1038993710 /nfs/dbraw/zinc/99/37/10/1038993710.db2.gz OPBUFTQMRNSYKT-SCLBCKFNSA-N 1 0 347.846 4.202 20 5 EIBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000537623384 1039003621 /nfs/dbraw/zinc/00/36/21/1039003621.db2.gz DSBDKBGFJGGHSZ-XJKSGUPXSA-N 1 0 346.452 4.059 20 5 EIBDRO Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000555349760 1039090837 /nfs/dbraw/zinc/09/08/37/1039090837.db2.gz WFKZIQNSPBHTLL-OAHLLOKOSA-N 1 0 342.361 4.458 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000513822892 1039302708 /nfs/dbraw/zinc/30/27/08/1039302708.db2.gz KRNUNKSVYPMXRA-JSGCOSHPSA-N 1 0 330.350 4.238 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000513822893 1039303526 /nfs/dbraw/zinc/30/35/26/1039303526.db2.gz KRNUNKSVYPMXRA-OCCSQVGLSA-N 1 0 330.350 4.238 20 5 EIBDRO CO[C@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000513896572 1039355300 /nfs/dbraw/zinc/35/53/00/1039355300.db2.gz ATZQANUUMROEBR-QGZVFWFLSA-N 1 0 334.803 4.068 20 5 EIBDRO CC(C)([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000385948248 1039394253 /nfs/dbraw/zinc/39/42/53/1039394253.db2.gz SXOMNOYVUHGXKK-UHFFFAOYSA-N 1 0 349.228 4.382 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1(c2ccccc2F)CCC1 ZINC000594509732 1039491171 /nfs/dbraw/zinc/49/11/71/1039491171.db2.gz YNFJNAVWTOYRCJ-QGZVFWFLSA-N 1 0 326.371 4.390 20 5 EIBDRO CC1(C)CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000514095627 1039571633 /nfs/dbraw/zinc/57/16/33/1039571633.db2.gz RYYQZSJNLMHAJZ-UHFFFAOYSA-N 1 0 331.441 4.340 20 5 EIBDRO CCOc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000481570515 1039589387 /nfs/dbraw/zinc/58/93/87/1039589387.db2.gz VQPFSENPMRGMBT-IBGZPJMESA-N 1 0 340.423 4.104 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C)c(F)c2)cc1[N+](=O)[O-] ZINC000152684331 1039612230 /nfs/dbraw/zinc/61/22/30/1039612230.db2.gz NEVKGFMLVPLVDC-CYBMUJFWSA-N 1 0 332.375 4.292 20 5 EIBDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000514184961 1039705815 /nfs/dbraw/zinc/70/58/15/1039705815.db2.gz AWDBEIYYKCDMJR-INIZCTEOSA-N 1 0 328.387 4.249 20 5 EIBDRO COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000478504844 1039795615 /nfs/dbraw/zinc/79/56/15/1039795615.db2.gz JFUORTZQXMCBFX-GFCCVEGCSA-N 1 0 334.803 4.416 20 5 EIBDRO CC(C)C[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534842742 1039817425 /nfs/dbraw/zinc/81/74/25/1039817425.db2.gz KKOVDEZPOXAIJX-CQSZACIVSA-N 1 0 329.400 4.118 20 5 EIBDRO CCCCc1ccc([C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C(C)C)cc1 ZINC000476678371 1039829214 /nfs/dbraw/zinc/82/92/14/1039829214.db2.gz YNFLKLMPLBHEMP-GOSISDBHSA-N 1 0 344.459 4.158 20 5 EIBDRO CC[C@@H](C)c1ccc([C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C(C)C)cc1 ZINC000476666401 1039830257 /nfs/dbraw/zinc/83/02/57/1039830257.db2.gz VSBATCSCUNJMII-RDTXWAMCSA-N 1 0 344.459 4.329 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCCO1 ZINC000535192135 1040037254 /nfs/dbraw/zinc/03/72/54/1040037254.db2.gz PQSJKZIYAQTPGL-SJORKVTESA-N 1 0 346.452 4.371 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCC4(CCCCC4)C3)nc2c1 ZINC000435059869 1040040095 /nfs/dbraw/zinc/04/00/95/1040040095.db2.gz QQMMNKRVDOAYLQ-UHFFFAOYSA-N 1 0 329.400 4.282 20 5 EIBDRO COCC1(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000551246114 1040094813 /nfs/dbraw/zinc/09/48/13/1040094813.db2.gz KBRZNRSQJZHSAE-FUHWJXTLSA-N 1 0 346.471 4.102 20 5 EIBDRO CC(C)C[NH+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC(C)C ZINC000535523487 1040322874 /nfs/dbraw/zinc/32/28/74/1040322874.db2.gz HWVQETRSQAWVQS-UHFFFAOYSA-N 1 0 331.416 4.364 20 5 EIBDRO CCC[C@H]([NH2+]Cc1ccc(OC(C)C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000160074982 1040333436 /nfs/dbraw/zinc/33/34/36/1040333436.db2.gz ONUKPUGGOGIFDK-SFHVURJKSA-N 1 0 343.427 4.408 20 5 EIBDRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000442893525 1040374245 /nfs/dbraw/zinc/37/42/45/1040374245.db2.gz SINPSNALIZGKHG-UHFFFAOYSA-N 1 0 339.395 4.107 20 5 EIBDRO CCC[C@H]([NH2+][C@@H]1CCN(C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000482638606 1040403241 /nfs/dbraw/zinc/40/32/41/1040403241.db2.gz BHPDNUFWTLSHPH-APWZRJJASA-N 1 0 331.460 4.043 20 5 EIBDRO Cc1ccc(CN(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000089892781 1040526289 /nfs/dbraw/zinc/52/62/89/1040526289.db2.gz ZXAQGLDGSVMGNM-UHFFFAOYSA-N 1 0 343.408 4.252 20 5 EIBDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000160552361 1040594910 /nfs/dbraw/zinc/59/49/10/1040594910.db2.gz ZMUMNLQRPFLOKV-OLZOCXBDSA-N 1 0 332.404 4.074 20 5 EIBDRO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000467336926 1040618378 /nfs/dbraw/zinc/61/83/78/1040618378.db2.gz ZBDPWQIRLNHDPC-SJORKVTESA-N 1 0 325.412 4.114 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2c3ccccc3CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000462542519 1040717032 /nfs/dbraw/zinc/71/70/32/1040717032.db2.gz MVHUKJGJTJQHPH-JLTOFOAXSA-N 1 0 340.423 4.407 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCN(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000483131966 1040725331 /nfs/dbraw/zinc/72/53/31/1040725331.db2.gz DAANNDACFJSKOH-IRXDYDNUSA-N 1 0 339.439 4.223 20 5 EIBDRO CS[C@@H]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000483183002 1040754331 /nfs/dbraw/zinc/75/43/31/1040754331.db2.gz MRXAXGMPGZQPSF-BRWVUGGUSA-N 1 0 334.485 4.180 20 5 EIBDRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515433312 1040758942 /nfs/dbraw/zinc/75/89/42/1040758942.db2.gz RIIQEPYDPBJLOE-BZNIZROVSA-N 1 0 330.359 4.081 20 5 EIBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539828620 1040821969 /nfs/dbraw/zinc/82/19/69/1040821969.db2.gz FGJNXXVXICONTJ-KBPBESRZSA-N 1 0 346.452 4.059 20 5 EIBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C12CCC2 ZINC000462755022 1040890021 /nfs/dbraw/zinc/89/00/21/1040890021.db2.gz SKFQZKZGUCMQCV-MSOLQXFVSA-N 1 0 332.444 4.156 20 5 EIBDRO CCOc1ccccc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000462757340 1040905090 /nfs/dbraw/zinc/90/50/90/1040905090.db2.gz AHJFXUGJRDRKCO-UHFFFAOYSA-N 1 0 328.412 4.106 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]C[C@H](C)Oc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000483619123 1040916111 /nfs/dbraw/zinc/91/61/11/1040916111.db2.gz GQIFPMNEHPJJEA-GXTWGEPZSA-N 1 0 332.375 4.160 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000480071921 1040918646 /nfs/dbraw/zinc/91/86/46/1040918646.db2.gz QDIUVLFPIFKTPX-ACJLOTCBSA-N 1 0 347.846 4.202 20 5 EIBDRO COc1ccc(O[C@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000483649963 1040931677 /nfs/dbraw/zinc/93/16/77/1040931677.db2.gz FADLPNPQCOXPNY-HIFRSBDPSA-N 1 0 344.411 4.030 20 5 EIBDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000537964309 1040936728 /nfs/dbraw/zinc/93/67/28/1040936728.db2.gz MHUGJNGAIYZIIC-PJIJBLCYSA-N 1 0 344.411 4.030 20 5 EIBDRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000537978165 1040950383 /nfs/dbraw/zinc/95/03/83/1040950383.db2.gz JAOWJSMMSXQHND-YOEHRIQHSA-N 1 0 326.396 4.304 20 5 EIBDRO CC[C@@H]([NH2+]C[C@H](C)Oc1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000483656470 1040954971 /nfs/dbraw/zinc/95/49/71/1040954971.db2.gz QUFBJNLPODXPHM-IFXJQAMLSA-N 1 0 344.411 4.112 20 5 EIBDRO COC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000537985164 1040961197 /nfs/dbraw/zinc/96/11/97/1040961197.db2.gz VFZDJNJQXHSRIL-DYVFJYSZSA-N 1 0 332.375 4.081 20 5 EIBDRO Cc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000483700136 1040967531 /nfs/dbraw/zinc/96/75/31/1040967531.db2.gz OTOKISHBZHRVCS-YSGRDPCXSA-N 1 0 340.423 4.474 20 5 EIBDRO CCC[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000483730889 1040988740 /nfs/dbraw/zinc/98/87/40/1040988740.db2.gz OVWQXAZXIADCDH-XMTFNYHQSA-N 1 0 332.444 4.229 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000436233855 1040999711 /nfs/dbraw/zinc/99/97/11/1040999711.db2.gz VCDRECJOCVZANA-DOTOQJQBSA-N 1 0 326.396 4.029 20 5 EIBDRO C[C@@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000436286759 1041040431 /nfs/dbraw/zinc/04/04/31/1041040431.db2.gz BBWJVWFBDSZYNO-DNVCBOLYSA-N 1 0 331.460 4.043 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1(c2ccccc2)CC1)C1CC1 ZINC000480214555 1041070211 /nfs/dbraw/zinc/07/02/11/1041070211.db2.gz OPGRTMVXPXMEGO-IBGZPJMESA-N 1 0 336.435 4.237 20 5 EIBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])c(OC)c1)c1ccsc1 ZINC000462920794 1041117241 /nfs/dbraw/zinc/11/72/41/1041117241.db2.gz WDRXVSOQNMOILT-MRXNPFEDSA-N 1 0 349.456 4.160 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CC)[C@H]1CCCO1 ZINC000540140182 1041159355 /nfs/dbraw/zinc/15/93/55/1041159355.db2.gz JAEYSXWBWKMXPU-IIAWOOMASA-N 1 0 338.473 4.013 20 5 EIBDRO CCC[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000540157071 1041207152 /nfs/dbraw/zinc/20/71/52/1041207152.db2.gz VMMJITFXQMUPQP-NEWSRXKRSA-N 1 0 334.460 4.477 20 5 EIBDRO CCC[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000540157075 1041207408 /nfs/dbraw/zinc/20/74/08/1041207408.db2.gz VMMJITFXQMUPQP-WDSOQIARSA-N 1 0 334.460 4.477 20 5 EIBDRO CCc1ccc([C@H]2CN([C@@H](C)c3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000484358070 1041214440 /nfs/dbraw/zinc/21/44/40/1041214440.db2.gz YYDXCWWPAVNBHJ-MGPUTAFESA-N 1 0 340.423 4.292 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000540163746 1041225708 /nfs/dbraw/zinc/22/57/08/1041225708.db2.gz JJDWDUBJYNKNFJ-LXIYXOSZSA-N 1 0 332.375 4.161 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425554047 1041249873 /nfs/dbraw/zinc/24/98/73/1041249873.db2.gz NVNCMZAVJALWFT-KXBFYZLASA-N 1 0 344.455 4.245 20 5 EIBDRO C[C@H]([NH2+]C[C@H]1SCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000484483326 1041254547 /nfs/dbraw/zinc/25/45/47/1041254547.db2.gz GINVSTWHDZEHSZ-SCLBCKFNSA-N 1 0 328.437 4.276 20 5 EIBDRO Cc1c(C[NH2+]Cc2cnc(-c3cccs3)s2)cccc1[N+](=O)[O-] ZINC000480473248 1041326506 /nfs/dbraw/zinc/32/65/06/1041326506.db2.gz UNXWDKFAIZMUTD-UHFFFAOYSA-N 1 0 345.449 4.378 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505880237 1041475577 /nfs/dbraw/zinc/47/55/77/1041475577.db2.gz RLNRIGYVHQZZCO-CVEARBPZSA-N 1 0 326.396 4.057 20 5 EIBDRO CC[C@]1(C)CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000538736704 1041508191 /nfs/dbraw/zinc/50/81/91/1041508191.db2.gz XXKXDHZZEHNHMR-LJQANCHMSA-N 1 0 342.443 4.007 20 5 EIBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463456157 1041576831 /nfs/dbraw/zinc/57/68/31/1041576831.db2.gz YXXZREMCVKAZPT-CABCVRRESA-N 1 0 346.349 4.027 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000516589432 1041657951 /nfs/dbraw/zinc/65/79/51/1041657951.db2.gz XMTGABWFDWIACI-UHFFFAOYSA-N 1 0 346.814 4.426 20 5 EIBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000460346851 1041795126 /nfs/dbraw/zinc/79/51/26/1041795126.db2.gz LJBWZNQTVCKQNH-BBRMVZONSA-N 1 0 344.415 4.093 20 5 EIBDRO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000467358431 1041819143 /nfs/dbraw/zinc/81/91/43/1041819143.db2.gz NXUJXNIRTPLILQ-AEFFLSMTSA-N 1 0 339.439 4.423 20 5 EIBDRO CCCC[NH+](CCCC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000506104832 1041881615 /nfs/dbraw/zinc/88/16/15/1041881615.db2.gz VYBSVSOCLGNLLQ-UHFFFAOYSA-N 1 0 332.404 4.047 20 5 EIBDRO COc1ccc2c(c1)CCC[N@H+]([C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000609133850 1042059066 /nfs/dbraw/zinc/05/90/66/1042059066.db2.gz BWQJQFZYNQJRFU-CQSZACIVSA-N 1 0 326.396 4.113 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000541756567 1042094539 /nfs/dbraw/zinc/09/45/39/1042094539.db2.gz OXXMNQWXGHSBCE-OCCSQVGLSA-N 1 0 330.350 4.362 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCOc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000438473480 1042190880 /nfs/dbraw/zinc/19/08/80/1042190880.db2.gz DKDUXPKKSZDIPS-QGZVFWFLSA-N 1 0 344.386 4.471 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)c1ccccc1 ZINC000509595342 1042397224 /nfs/dbraw/zinc/39/72/24/1042397224.db2.gz YPCJIZISMSMSLU-UHFFFAOYSA-N 1 0 328.412 4.061 20 5 EIBDRO COCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000271814057 1042412073 /nfs/dbraw/zinc/41/20/73/1042412073.db2.gz REJWVMFXWKNXJL-HUUCEWRRSA-N 1 0 344.411 4.032 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000271843102 1042449826 /nfs/dbraw/zinc/44/98/26/1042449826.db2.gz WFGWYWPKKIICNG-BBRMVZONSA-N 1 0 344.411 4.414 20 5 EIBDRO COc1ccc([C@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000491856246 1042508255 /nfs/dbraw/zinc/50/82/55/1042508255.db2.gz AHXBLGVOKVTAAR-GOSISDBHSA-N 1 0 330.359 4.080 20 5 EIBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCS1 ZINC000426390835 1042633750 /nfs/dbraw/zinc/63/37/50/1042633750.db2.gz MBOIWDYIJLKXNX-CYBMUJFWSA-N 1 0 332.425 4.182 20 5 EIBDRO CCOc1cc(C[NH2+][C@]2(C)CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000492415030 1042638815 /nfs/dbraw/zinc/63/88/15/1042638815.db2.gz FCYDLWGYBYVNGC-HXUWFJFHSA-N 1 0 340.423 4.335 20 5 EIBDRO COc1cc(C[NH2+][C@H](C)c2ccc(SC)cc2)ccc1[N+](=O)[O-] ZINC000439489275 1042651828 /nfs/dbraw/zinc/65/18/28/1042651828.db2.gz BNPYNIZDCFDUEC-GFCCVEGCSA-N 1 0 332.425 4.176 20 5 EIBDRO CC[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1c(C)noc1C ZINC000193053029 1042696615 /nfs/dbraw/zinc/69/66/15/1042696615.db2.gz IKHRTTFKWWXAIC-SJORKVTESA-N 1 0 329.400 4.318 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1c(C)noc1C ZINC000193052986 1042696647 /nfs/dbraw/zinc/69/66/47/1042696647.db2.gz IKHRTTFKWWXAIC-DLBZAZTESA-N 1 0 329.400 4.318 20 5 EIBDRO C[C@@H]1C[C@@H](C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000493105090 1042819715 /nfs/dbraw/zinc/81/97/15/1042819715.db2.gz OLQSWHBVYFPZJM-GUXCAODWSA-N 1 0 340.423 4.089 20 5 EIBDRO CC(C)OCc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761520783 1042875393 /nfs/dbraw/zinc/87/53/93/1042875393.db2.gz GADJYDRYICLNJX-UHFFFAOYSA-N 1 0 348.830 4.463 20 5 EIBDRO CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761527385 1042875713 /nfs/dbraw/zinc/87/57/13/1042875713.db2.gz UTGQFUXEXCLFKG-XJKSGUPXSA-N 1 0 340.851 4.179 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000152534643 1042890470 /nfs/dbraw/zinc/89/04/70/1042890470.db2.gz IUBGNLWNEFBXHQ-SJORKVTESA-N 1 0 339.439 4.080 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000473997929 1042933726 /nfs/dbraw/zinc/93/37/26/1042933726.db2.gz YNJRYLIBUCGXMX-FIIODCPWSA-N 1 0 338.407 4.420 20 5 EIBDRO CCOc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)ccc1[N+](=O)[O-] ZINC000493573995 1042936494 /nfs/dbraw/zinc/93/64/94/1042936494.db2.gz RIGQPLNHGYIUDC-AWEZNQCLSA-N 1 0 346.349 4.156 20 5 EIBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)ccc1[N+](=O)[O-] ZINC000493573996 1042936806 /nfs/dbraw/zinc/93/68/06/1042936806.db2.gz RIGQPLNHGYIUDC-CQSZACIVSA-N 1 0 346.349 4.156 20 5 EIBDRO CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CCOC(C)(C)C1 ZINC000579537325 1042956852 /nfs/dbraw/zinc/95/68/52/1042956852.db2.gz CYNVLOYIPGUABA-MRXNPFEDSA-N 1 0 334.460 4.498 20 5 EIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)c1cccs1 ZINC000543502248 1043141292 /nfs/dbraw/zinc/14/12/92/1043141292.db2.gz MLAGGWGNPAEASB-UHFFFAOYSA-N 1 0 334.441 4.468 20 5 EIBDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000507905946 1043192152 /nfs/dbraw/zinc/19/21/52/1043192152.db2.gz UWJGIXGGAXFYGM-TZMCWYRMSA-N 1 0 330.359 4.272 20 5 EIBDRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163348846 1043228986 /nfs/dbraw/zinc/22/89/86/1043228986.db2.gz SHUQAKDREFPUIQ-QWHCGFSZSA-N 1 0 332.375 4.463 20 5 EIBDRO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163348970 1043229345 /nfs/dbraw/zinc/22/93/45/1043229345.db2.gz YXOMDHRDYOVHJQ-OLZOCXBDSA-N 1 0 332.375 4.463 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000427984731 1043286443 /nfs/dbraw/zinc/28/64/43/1043286443.db2.gz YPFIQJYFRPHJDL-KGLIPLIRSA-N 1 0 338.473 4.013 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1cc(C)ccc1OC ZINC000357776988 1043384040 /nfs/dbraw/zinc/38/40/40/1043384040.db2.gz GLGJLTKVOFZRSR-MRXNPFEDSA-N 1 0 344.411 4.161 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2ccc(F)cc2)o1 ZINC000520931606 1043448552 /nfs/dbraw/zinc/44/85/52/1043448552.db2.gz JAKKJBZWHUQICI-UHFFFAOYSA-N 1 0 340.354 4.326 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](c2ccccc2)C2CCC2)cc1 ZINC000609195372 1043451391 /nfs/dbraw/zinc/45/13/91/1043451391.db2.gz BZPKZAJKKSENBA-LJQANCHMSA-N 1 0 326.396 4.105 20 5 EIBDRO CC1(C)C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C(C)(C)O1 ZINC000494523236 1043552585 /nfs/dbraw/zinc/55/25/85/1043552585.db2.gz GURKLDNKDNSPTE-ZDUSSCGKSA-N 1 0 346.349 4.049 20 5 EIBDRO CCC(CC)[C@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000521377314 1043730326 /nfs/dbraw/zinc/73/03/26/1043730326.db2.gz DJMJYZNVPBMSCP-QGZVFWFLSA-N 1 0 348.468 4.210 20 5 EIBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000301850578 1043810425 /nfs/dbraw/zinc/81/04/25/1043810425.db2.gz AXZSZYFWJCWDFB-UHFFFAOYSA-N 1 0 335.448 4.058 20 5 EIBDRO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)[C@@H]1c1ccccc1 ZINC000301854518 1043820654 /nfs/dbraw/zinc/82/06/54/1043820654.db2.gz YITFKBCLZGQXKC-QUCCMNQESA-N 1 0 348.406 4.000 20 5 EIBDRO COc1ccc([C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C2CCC2)cc1 ZINC000922893256 1043825967 /nfs/dbraw/zinc/82/59/67/1043825967.db2.gz UZADGNLZIITWOG-QGZVFWFLSA-N 1 0 332.425 4.296 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1ccc3[nH]ccc3c1)CCC2 ZINC000442820755 1043855165 /nfs/dbraw/zinc/85/51/65/1043855165.db2.gz LFBCPLYIKAZDIC-HXUWFJFHSA-N 1 0 335.407 4.286 20 5 EIBDRO CC(C)C[C@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000245493713 1043938242 /nfs/dbraw/zinc/93/82/42/1043938242.db2.gz MBISVYMQXASIIU-ZIAGYGMSSA-N 1 0 344.415 4.074 20 5 EIBDRO C[C@@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000173407403 1043949255 /nfs/dbraw/zinc/94/92/55/1043949255.db2.gz DDKJMPHLZYENKF-CQSZACIVSA-N 1 0 349.390 4.037 20 5 EIBDRO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000245531625 1043971573 /nfs/dbraw/zinc/97/15/73/1043971573.db2.gz TZTUQCMZKUJFAI-KDOFPFPSSA-N 1 0 342.443 4.152 20 5 EIBDRO CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@@H](C)C1 ZINC000443065987 1043985101 /nfs/dbraw/zinc/98/51/01/1043985101.db2.gz BRIURUOONOGOSR-UONOGXRCSA-N 1 0 346.452 4.323 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](C)CC(C)(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000521831739 1043999459 /nfs/dbraw/zinc/99/94/59/1043999459.db2.gz JWXZOBMSXUJYIL-HNNXBMFYSA-N 1 0 342.439 4.449 20 5 EIBDRO CCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000521831815 1044000925 /nfs/dbraw/zinc/00/09/25/1044000925.db2.gz OTBAFLSDFUUSDI-KRWDZBQOSA-N 1 0 328.412 4.104 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000443203858 1044094386 /nfs/dbraw/zinc/09/43/86/1044094386.db2.gz NFAJAJBPPSOCRE-DYVFJYSZSA-N 1 0 344.386 4.168 20 5 EIBDRO C[C@H](Cc1ccco1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000733323972 1044190427 /nfs/dbraw/zinc/19/04/27/1044190427.db2.gz BHBRLQVUONVPKW-GFCCVEGCSA-N 1 0 343.408 4.032 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc1 ZINC000474048122 1044297419 /nfs/dbraw/zinc/29/74/19/1044297419.db2.gz WFHRKQQLCHCERL-MISYRCLQSA-N 1 0 346.471 4.102 20 5 EIBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509121058 1044360555 /nfs/dbraw/zinc/36/05/55/1044360555.db2.gz GQLGGKKJPJPQHL-LSDHHAIUSA-N 1 0 330.400 4.027 20 5 EIBDRO Cc1ccccc1C[NH+]1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000301975148 1044529849 /nfs/dbraw/zinc/52/98/49/1044529849.db2.gz BHOFVGNSUJMWMF-UHFFFAOYSA-N 1 0 331.441 4.041 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCCS3)o2)cc1 ZINC000543415314 1044550576 /nfs/dbraw/zinc/55/05/76/1044550576.db2.gz PKVZHKAWVYWBHL-MRXNPFEDSA-N 1 0 332.425 4.230 20 5 EIBDRO CC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000543486610 1044705619 /nfs/dbraw/zinc/70/56/19/1044705619.db2.gz VPHMDCHOAQEAGV-NSHDSACASA-N 1 0 340.832 4.429 20 5 EIBDRO COC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000093337700 1044831971 /nfs/dbraw/zinc/83/19/71/1044831971.db2.gz BVRZPLXOAYIEAN-AWEZNQCLSA-N 1 0 346.452 4.182 20 5 EIBDRO C[C@@H]1CC(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@H](C)O1 ZINC000555225636 1044832818 /nfs/dbraw/zinc/83/28/18/1044832818.db2.gz MYXBUHSRGMKCAC-CLCXKQKWSA-N 1 0 346.471 4.099 20 5 EIBDRO C[C@H](CCOCc1ccccc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000389939594 1044846005 /nfs/dbraw/zinc/84/60/05/1044846005.db2.gz MBSXJIBCTMJJID-CVEARBPZSA-N 1 0 328.412 4.241 20 5 EIBDRO CSC[C@@H]1CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093760657 1044853280 /nfs/dbraw/zinc/85/32/80/1044853280.db2.gz YYIKGMYHZBSNRV-HNNXBMFYSA-N 1 0 349.481 4.046 20 5 EIBDRO CC(C)([NH2+]CCOc1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000429267021 1044866931 /nfs/dbraw/zinc/86/69/31/1044866931.db2.gz WBXSWJQYYSLFOP-UHFFFAOYSA-N 1 0 334.803 4.152 20 5 EIBDRO Cc1c(C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)cccc1[N+](=O)[O-] ZINC000922772216 1044941831 /nfs/dbraw/zinc/94/18/31/1044941831.db2.gz LXEFGRHRLUUBJO-NVXWUHKLSA-N 1 0 332.350 4.042 20 5 EIBDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000736624123 1044958668 /nfs/dbraw/zinc/95/86/68/1044958668.db2.gz XTLGVGVWVDGUPL-LBPRGKRZSA-N 1 0 336.794 4.450 20 5 EIBDRO Cc1csc([C@H](C)CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)n1 ZINC000302131845 1045162366 /nfs/dbraw/zinc/16/23/66/1045162366.db2.gz KOUUESWEXZJDHV-SNVBAGLBSA-N 1 0 342.424 4.432 20 5 EIBDRO Cc1nc(C)c(CCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)s1 ZINC000302215231 1045170556 /nfs/dbraw/zinc/17/05/56/1045170556.db2.gz ZWNIEKRKNRBDJJ-UHFFFAOYSA-N 1 0 342.424 4.179 20 5 EIBDRO Cc1cccc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000302490423 1045180064 /nfs/dbraw/zinc/18/00/64/1045180064.db2.gz JVOIPEWWYHTLLN-KDOFPFPSSA-N 1 0 345.468 4.460 20 5 EIBDRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000611293129 1045276227 /nfs/dbraw/zinc/27/62/27/1045276227.db2.gz NZWHVYGLJUAOFJ-AWEZNQCLSA-N 1 0 337.379 4.409 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000611392288 1045296660 /nfs/dbraw/zinc/29/66/60/1045296660.db2.gz PTHXYBVMIGOROE-YJYMSZOUSA-N 1 0 326.396 4.017 20 5 EIBDRO CC[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCCC1 ZINC000611433806 1045305104 /nfs/dbraw/zinc/30/51/04/1045305104.db2.gz WWXNAHXGMDCDDM-INIZCTEOSA-N 1 0 344.415 4.093 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000611466088 1045313271 /nfs/dbraw/zinc/31/32/71/1045313271.db2.gz XGCADGLCIQNYGD-SWLSCSKDSA-N 1 0 334.803 4.342 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000611477459 1045315511 /nfs/dbraw/zinc/31/55/11/1045315511.db2.gz NQAFIAGVGMJXCJ-LZWOXQAQSA-N 1 0 338.473 4.013 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000193901083 1045538562 /nfs/dbraw/zinc/53/85/62/1045538562.db2.gz NZUTWVBFKCUORS-CHWSQXEVSA-N 1 0 330.384 4.024 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000193901050 1045541376 /nfs/dbraw/zinc/54/13/76/1045541376.db2.gz NZUTWVBFKCUORS-OLZOCXBDSA-N 1 0 330.384 4.024 20 5 EIBDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000152455565 1045750583 /nfs/dbraw/zinc/75/05/83/1045750583.db2.gz CAGQIOCNIGQFCH-OAHLLOKOSA-N 1 0 331.441 4.123 20 5 EIBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCOc2ccccc21 ZINC000768214495 1045754745 /nfs/dbraw/zinc/75/47/45/1045754745.db2.gz BPFVAYRWMZBPSC-CYBMUJFWSA-N 1 0 346.814 4.246 20 5 EIBDRO COc1ccc([C@@H]2CC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)cc1 ZINC000768541516 1045817788 /nfs/dbraw/zinc/81/77/88/1045817788.db2.gz IGJJYZXNAMYPLC-OAHLLOKOSA-N 1 0 346.814 4.246 20 5 EIBDRO O=[N+]([O-])c1cc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)ccc1Cl ZINC000768555250 1045819496 /nfs/dbraw/zinc/81/94/96/1045819496.db2.gz PBKHQCIBPIECSQ-OAHLLOKOSA-N 1 0 338.835 4.172 20 5 EIBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000768548857 1045823082 /nfs/dbraw/zinc/82/30/82/1045823082.db2.gz ILAXJXXZGYKKJD-OLZOCXBDSA-N 1 0 328.865 4.354 20 5 EIBDRO C[C@@H]1C[NH+](Cc2c3ccccc3cc3ccccc32)C[C@@H](C)S1=O ZINC000792191922 1045876288 /nfs/dbraw/zinc/87/62/88/1045876288.db2.gz FGZOFXSEQCUGDB-HZPDHXFCSA-N 1 0 337.488 4.334 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]C(C)(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170294832 1045979224 /nfs/dbraw/zinc/97/92/24/1045979224.db2.gz CZAMEFAQYIMKOX-CQSZACIVSA-N 1 0 328.412 4.059 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC001170294608 1045979435 /nfs/dbraw/zinc/97/94/35/1045979435.db2.gz BVBLYDIIABEUCG-AUUYWEPGSA-N 1 0 340.423 4.202 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC001170312141 1045993561 /nfs/dbraw/zinc/99/35/61/1045993561.db2.gz CXURSSADBZWCIQ-MLGOLLRUSA-N 1 0 332.400 4.177 20 5 EIBDRO CC[N@H+](Cc1ccccc1)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170329376 1046000904 /nfs/dbraw/zinc/00/09/04/1046000904.db2.gz PPMBYHAZKQKNES-HNNXBMFYSA-N 1 0 328.412 4.057 20 5 EIBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H]1CCc2ccc(OC)cc2C1 ZINC001170415388 1046045144 /nfs/dbraw/zinc/04/51/44/1046045144.db2.gz YPTDKUKFYRGYNR-HXUWFJFHSA-N 1 0 339.503 4.261 20 5 EIBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000792869337 1046080584 /nfs/dbraw/zinc/08/05/84/1046080584.db2.gz BMWZGGBWQKGKOP-KRWDZBQOSA-N 1 0 347.346 4.129 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ccc(CF)cc3)C2)cc1 ZINC001170423884 1046121819 /nfs/dbraw/zinc/12/18/19/1046121819.db2.gz JUYZXDMXKZTJJB-SFHVURJKSA-N 1 0 328.387 4.444 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2cnc(-c3ccccc3)s2)cc1[N+](=O)[O-] ZINC000747099409 1046125594 /nfs/dbraw/zinc/12/55/94/1046125594.db2.gz AFCFZZBYRZINJV-UHFFFAOYSA-N 1 0 339.420 4.317 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c(OC)c1 ZINC000154182682 1046357906 /nfs/dbraw/zinc/35/79/06/1046357906.db2.gz OFTFQVVNKXAPKL-UONOGXRCSA-N 1 0 344.411 4.332 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000536849390 1046820681 /nfs/dbraw/zinc/82/06/81/1046820681.db2.gz BZJNVDCFQFUCBK-NJSLBKSFSA-N 1 0 346.402 4.469 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(OC(F)F)c1 ZINC000536863568 1046830296 /nfs/dbraw/zinc/83/02/96/1046830296.db2.gz MBLDRTAANCPEPV-GFCCVEGCSA-N 1 0 336.338 4.355 20 5 EIBDRO C[C@H](CCCc1cccnc1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000459644713 1046832182 /nfs/dbraw/zinc/83/21/82/1046832182.db2.gz FQOMFIWUXCZYQQ-HKUPYCBJSA-N 1 0 325.412 4.004 20 5 EIBDRO CCOc1cc(C[NH2+][C@@H](C)c2cc(C)ccc2OC)ccc1[N+](=O)[O-] ZINC000459660999 1046844067 /nfs/dbraw/zinc/84/40/67/1046844067.db2.gz WFZLTYMYRAMFBJ-AWEZNQCLSA-N 1 0 344.411 4.161 20 5 EIBDRO Cc1cc(N[C@H](C)Cc2ccccc2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000459760361 1046876196 /nfs/dbraw/zinc/87/61/96/1046876196.db2.gz MIOBBDHIVOVQQR-OAHLLOKOSA-N 1 0 327.428 4.008 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CCc2sccc2C)cc1[N+](=O)[O-] ZINC000537014260 1046896457 /nfs/dbraw/zinc/89/64/57/1046896457.db2.gz IFFNLUSLPGEYJK-ZDUSSCGKSA-N 1 0 334.441 4.257 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCOc1cccc(Cl)c1Cl ZINC000537276267 1047064664 /nfs/dbraw/zinc/06/46/64/1047064664.db2.gz YLZBVESCFQZBSZ-UHFFFAOYSA-N 1 0 341.194 4.070 20 5 EIBDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000746713914 1047068944 /nfs/dbraw/zinc/06/89/44/1047068944.db2.gz YEFZBLUHBBERQE-QZTJIDSGSA-N 1 0 342.443 4.024 20 5 EIBDRO COc1ccc([C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000788504323 1047206882 /nfs/dbraw/zinc/20/68/82/1047206882.db2.gz HJBOQENITOIRCB-ORAYPTAESA-N 1 0 343.427 4.234 20 5 EIBDRO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000788504321 1047206951 /nfs/dbraw/zinc/20/69/51/1047206951.db2.gz HJBOQENITOIRCB-DJJJIMSYSA-N 1 0 343.427 4.234 20 5 EIBDRO COc1ccc([C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000788504319 1047207054 /nfs/dbraw/zinc/20/70/54/1047207054.db2.gz HJBOQENITOIRCB-BFUOFWGJSA-N 1 0 343.427 4.234 20 5 EIBDRO C[C@H]([NH2+][C@H]1c2cccc(F)c2CC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788624906 1047253235 /nfs/dbraw/zinc/25/32/35/1047253235.db2.gz HZLUMRFHAYZYEF-UYSIFFEZSA-N 1 0 343.402 4.290 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H](C(C)C)[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000788627729 1047255076 /nfs/dbraw/zinc/25/50/76/1047255076.db2.gz QHIBWDRRBOEPOO-YSSFQJQWSA-N 1 0 342.439 4.312 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000788667896 1047267943 /nfs/dbraw/zinc/26/79/43/1047267943.db2.gz VREDJYDHLPWKFC-QFYYESIMSA-N 1 0 335.354 4.257 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000788755778 1047287162 /nfs/dbraw/zinc/28/71/62/1047287162.db2.gz GZXPLUSWPTYYLP-NWDGAFQWSA-N 1 0 325.368 4.335 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788800292 1047306292 /nfs/dbraw/zinc/30/62/92/1047306292.db2.gz HJQLFHIWOJQUMG-XGWLTEMNSA-N 1 0 343.402 4.303 20 5 EIBDRO CCCOc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(C)c1 ZINC000788774496 1047313232 /nfs/dbraw/zinc/31/32/32/1047313232.db2.gz FFOWGRSZAFLZKL-CQSZACIVSA-N 1 0 343.427 4.125 20 5 EIBDRO CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788821972 1047319028 /nfs/dbraw/zinc/31/90/28/1047319028.db2.gz HCFFIRBVLSQHAP-NWDGAFQWSA-N 1 0 331.441 4.311 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556057311 1047419486 /nfs/dbraw/zinc/41/94/86/1047419486.db2.gz BDCLPSJVDWJVSO-ZAAXVRCTSA-N 1 0 339.439 4.081 20 5 EIBDRO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000609280889 1047482560 /nfs/dbraw/zinc/48/25/60/1047482560.db2.gz UMQVXXWRCPJUBV-GOSISDBHSA-N 1 0 326.396 4.331 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1nc2ccccc2s1 ZINC000089513276 1047777645 /nfs/dbraw/zinc/77/76/45/1047777645.db2.gz VOVFWBDMYOEPAJ-CHWSQXEVSA-N 1 0 341.436 4.486 20 5 EIBDRO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CCCO2 ZINC000089512090 1047779209 /nfs/dbraw/zinc/77/92/09/1047779209.db2.gz YMCDPOQTTQQTID-QGZVFWFLSA-N 1 0 326.396 4.215 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000824773171 1047928293 /nfs/dbraw/zinc/92/82/93/1047928293.db2.gz JVLMHBXEIBMQJZ-MUAYPFOZSA-N 1 0 329.227 4.172 20 5 EIBDRO C[C@@]1(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000824968213 1048012029 /nfs/dbraw/zinc/01/20/29/1048012029.db2.gz BGSLPMPRTRJKSC-YVARQFDVSA-N 1 0 329.227 4.172 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000808721432 1048069175 /nfs/dbraw/zinc/06/91/75/1048069175.db2.gz MKCOPMZXQWFXLS-ZOCIIQOWSA-N 1 0 328.412 4.148 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCCN(C)Cc1ccco1 ZINC000556884584 1048098891 /nfs/dbraw/zinc/09/88/91/1048098891.db2.gz KCFMYYXPFAGFSS-INIZCTEOSA-N 1 0 345.443 4.011 20 5 EIBDRO CC[NH+](CC)Cc1cccc(CNc2cccc(F)c2[N+](=O)[O-])c1 ZINC000919963453 1048349824 /nfs/dbraw/zinc/34/98/24/1048349824.db2.gz QOKLWWNQHRLZNJ-UHFFFAOYSA-N 1 0 331.391 4.188 20 5 EIBDRO Cc1ccncc1CCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000809541446 1048398399 /nfs/dbraw/zinc/39/83/99/1048398399.db2.gz UCLJSSKPXHGXRJ-UHFFFAOYSA-N 1 0 333.819 4.016 20 5 EIBDRO CCC[N@H+](CCc1ccccn1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000809734495 1048484697 /nfs/dbraw/zinc/48/46/97/1048484697.db2.gz HTRWPAOUVUIJHG-UHFFFAOYSA-N 1 0 333.819 4.098 20 5 EIBDRO Cc1cc2cc(C[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)ccc2[nH]1 ZINC000809720113 1048496359 /nfs/dbraw/zinc/49/63/59/1048496359.db2.gz YEUDWKQPJGXWPN-UHFFFAOYSA-N 1 0 329.787 4.328 20 5 EIBDRO Cc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000815579423 1048518089 /nfs/dbraw/zinc/51/80/89/1048518089.db2.gz MSANFKYFUKOAIM-DJJJIMSYSA-N 1 0 325.412 4.287 20 5 EIBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)Sc1ccccc1 ZINC000815585120 1048523475 /nfs/dbraw/zinc/52/34/75/1048523475.db2.gz YSVHFNNSLKCPEG-STQMWFEESA-N 1 0 331.441 4.008 20 5 EIBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CCC2 ZINC000815627156 1048550055 /nfs/dbraw/zinc/55/00/55/1048550055.db2.gz VICVWHUPLDNDNA-ACJLOTCBSA-N 1 0 325.412 4.214 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627878 1048551097 /nfs/dbraw/zinc/55/10/97/1048551097.db2.gz MAICSNHYOQZXEI-LLVKDONJSA-N 1 0 329.375 4.044 20 5 EIBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CCC2 ZINC000815629140 1048553312 /nfs/dbraw/zinc/55/33/12/1048553312.db2.gz VICVWHUPLDNDNA-FZKQIMNGSA-N 1 0 325.412 4.214 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(C(C)(F)F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815637808 1048566177 /nfs/dbraw/zinc/56/61/77/1048566177.db2.gz GPJXXBHRPAQATR-NSHDSACASA-N 1 0 335.354 4.140 20 5 EIBDRO CC(C)[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCOCC1 ZINC000809963482 1048572645 /nfs/dbraw/zinc/57/26/45/1048572645.db2.gz OTCAFXUYMANTIM-UHFFFAOYSA-N 1 0 347.242 4.291 20 5 EIBDRO COc1cccc(C2(C[NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)CC2)c1 ZINC000810157627 1048661391 /nfs/dbraw/zinc/66/13/91/1048661391.db2.gz BOYCCEFVRZNPKN-UHFFFAOYSA-N 1 0 346.814 4.078 20 5 EIBDRO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000747620079 1048833138 /nfs/dbraw/zinc/83/31/38/1048833138.db2.gz VMHPGSWHQHXFQP-ZDUSSCGKSA-N 1 0 328.387 4.464 20 5 EIBDRO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001171266909 1049002540 /nfs/dbraw/zinc/00/25/40/1049002540.db2.gz LFPDCKWJYANVTP-KRWDZBQOSA-N 1 0 340.423 4.242 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(-c3ccccc3)o2)cc1 ZINC000609466557 1049075652 /nfs/dbraw/zinc/07/56/52/1049075652.db2.gz LJWWMEYMJDRHHG-UHFFFAOYSA-N 1 0 338.363 4.023 20 5 EIBDRO CC(C)COCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811472229 1049093897 /nfs/dbraw/zinc/09/38/97/1049093897.db2.gz AZBYCGNPPFYZLZ-UHFFFAOYSA-N 1 0 335.231 4.054 20 5 EIBDRO CC(C)CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000609676940 1049264838 /nfs/dbraw/zinc/26/48/38/1049264838.db2.gz HTQMPTNSFFKGQS-WMLDXEAASA-N 1 0 349.475 4.362 20 5 EIBDRO CC(C)(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000609770414 1049308769 /nfs/dbraw/zinc/30/87/69/1049308769.db2.gz QXNHNOBEBTVUQD-OAHLLOKOSA-N 1 0 348.468 4.210 20 5 EIBDRO CC(C)(C)C[C@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000609770413 1049309078 /nfs/dbraw/zinc/30/90/78/1049309078.db2.gz QXNHNOBEBTVUQD-HNNXBMFYSA-N 1 0 348.468 4.210 20 5 EIBDRO Cc1ccccc1OCCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001170650205 1049330509 /nfs/dbraw/zinc/33/05/09/1049330509.db2.gz GYCSMMXTBANSFN-UHFFFAOYSA-N 1 0 328.412 4.197 20 5 EIBDRO Cc1ccc(C[NH2+]CC2(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000610089179 1049532642 /nfs/dbraw/zinc/53/26/42/1049532642.db2.gz HZUYHJMPFZMLBU-UHFFFAOYSA-N 1 0 330.815 4.378 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C)[C@H](O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000773040870 1049547742 /nfs/dbraw/zinc/54/77/42/1049547742.db2.gz OVOFHOUSIHFIHT-AGRHKRQWSA-N 1 0 346.402 4.287 20 5 EIBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1nc2ccccc2c2ccccc21 ZINC001171395040 1049614575 /nfs/dbraw/zinc/61/45/75/1049614575.db2.gz DEGGKHCCWYRISZ-OAHLLOKOSA-N 1 0 341.414 4.246 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000615721956 1049765819 /nfs/dbraw/zinc/76/58/19/1049765819.db2.gz PDAIFCPDKQUJDJ-OTMARIDSSA-N 1 0 332.444 4.183 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC001171670386 1049774561 /nfs/dbraw/zinc/77/45/61/1049774561.db2.gz DNZMJQAFRRKAJV-ZIAGYGMSSA-N 1 0 328.387 4.457 20 5 EIBDRO Cn1cc(C[NH2+]CCC2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237910958 1049815243 /nfs/dbraw/zinc/81/52/43/1049815243.db2.gz DXEJAKZSVAFXPR-UHFFFAOYSA-N 1 0 342.443 4.055 20 5 EIBDRO CC(C)([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000813792350 1049817193 /nfs/dbraw/zinc/81/71/93/1049817193.db2.gz XAWWEGDUKFWRMM-CLFYSBASSA-N 1 0 341.367 4.041 20 5 EIBDRO Cc1ccc(CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cn1 ZINC000180520471 1049912055 /nfs/dbraw/zinc/91/20/55/1049912055.db2.gz FMKWAKPVCONIND-NRFANRHFSA-N 1 0 347.418 4.220 20 5 EIBDRO C[C@@H]1CC([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000181042749 1049977775 /nfs/dbraw/zinc/97/77/75/1049977775.db2.gz AONIDROQAIQFMO-SXGZJXTBSA-N 1 0 340.423 4.230 20 5 EIBDRO CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC001177315284 1050189635 /nfs/dbraw/zinc/18/96/35/1050189635.db2.gz SLOAGEFTPVXXNK-UHFFFAOYSA-N 1 0 341.455 4.035 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccc(F)cc1 ZINC001172896976 1050201136 /nfs/dbraw/zinc/20/11/36/1050201136.db2.gz VIYUBIUKIBSYOV-UGSOOPFHSA-N 1 0 328.387 4.332 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCCc1cccs1)CC2 ZINC001172899674 1050202695 /nfs/dbraw/zinc/20/26/95/1050202695.db2.gz OUISSFIKVGVLGU-INIZCTEOSA-N 1 0 330.453 4.126 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C13CC4CC(CC(C4)C1)C3)CC2 ZINC001172899667 1050202855 /nfs/dbraw/zinc/20/28/55/1050202855.db2.gz OSXOQBKNIMRLAR-IXYLRAAXSA-N 1 0 340.467 4.401 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCc3ccc(F)cc31)CC2 ZINC001172899497 1050203150 /nfs/dbraw/zinc/20/31/50/1050203150.db2.gz CFMSZXWGMPCLDZ-FXAWDEMLSA-N 1 0 340.398 4.258 20 5 EIBDRO CC(C)(CC1CCOCC1)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900053 1050203569 /nfs/dbraw/zinc/20/35/69/1050203569.db2.gz BESSECRXHURYNG-SFHVURJKSA-N 1 0 346.471 4.027 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(Cl)cc1)CC2 ZINC001172899390 1050203902 /nfs/dbraw/zinc/20/39/02/1050203902.db2.gz WOKYPSFSEQYLDJ-KRWDZBQOSA-N 1 0 330.815 4.285 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCc3sccc31)CC2 ZINC001172908658 1050206730 /nfs/dbraw/zinc/20/67/30/1050206730.db2.gz YGYQTLWTJKBJNH-WMLDXEAASA-N 1 0 328.437 4.181 20 5 EIBDRO CC1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC(F)(F)CC1 ZINC001172905425 1050207792 /nfs/dbraw/zinc/20/77/92/1050207792.db2.gz RKOKPNYKTPUULG-OAHLLOKOSA-N 1 0 338.398 4.400 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cc(F)cc(F)c1 ZINC001172913638 1050232396 /nfs/dbraw/zinc/23/23/96/1050232396.db2.gz YBXXFEGOULOXMA-XIKOKIGWSA-N 1 0 346.377 4.471 20 5 EIBDRO Cc1cc2cc(C[NH3+])ccc2n1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896201 1050232536 /nfs/dbraw/zinc/23/25/36/1050232536.db2.gz NEZRDECGGIBGPS-IBGZPJMESA-N 1 0 349.434 4.437 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@@H]1c1nccs1)CC2 ZINC001172920985 1050233349 /nfs/dbraw/zinc/23/33/49/1050233349.db2.gz NFEHZQREECSRBT-DOTOQJQBSA-N 1 0 343.452 4.136 20 5 EIBDRO C[N@H+](Cc1ccc(F)cc1F)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172919611 1050234351 /nfs/dbraw/zinc/23/43/51/1050234351.db2.gz GUWRUNUGXQZYSE-KRWDZBQOSA-N 1 0 346.377 4.252 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCc3c1cccc3F)CC2 ZINC001172913504 1050248664 /nfs/dbraw/zinc/24/86/64/1050248664.db2.gz WKHKLHGPBSZPLZ-MGPUTAFESA-N 1 0 340.398 4.258 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1C[C@H]1c1ccc(F)cc1)CC2 ZINC001172913114 1050249307 /nfs/dbraw/zinc/24/93/07/1050249307.db2.gz TYQRVMBPOBPCRO-YZGWKJHDSA-N 1 0 340.398 4.127 20 5 EIBDRO Cc1cc(NCC[NH+]2CCC3(CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC001186248288 1050270031 /nfs/dbraw/zinc/27/00/31/1050270031.db2.gz KUPJFXDEYXQHTG-UHFFFAOYSA-N 1 0 331.460 4.361 20 5 EIBDRO Cc1ccc(-c2ccc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC001177737828 1050288199 /nfs/dbraw/zinc/28/81/99/1050288199.db2.gz VAKKKTDEVVECMQ-UHFFFAOYSA-N 1 0 336.391 4.496 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)c1F ZINC001173176627 1050334232 /nfs/dbraw/zinc/33/42/32/1050334232.db2.gz KZKBEYBDQYWZAP-KBPBESRZSA-N 1 0 346.402 4.333 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C)c2ccccc2)c1F ZINC001173176179 1050335075 /nfs/dbraw/zinc/33/50/75/1050335075.db2.gz DUBVQMFTHKILCW-CHWSQXEVSA-N 1 0 332.375 4.024 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C)c2cccs2)c1F ZINC001173177120 1050335646 /nfs/dbraw/zinc/33/56/46/1050335646.db2.gz OWQPTBODGKOICT-GHMZBOCLSA-N 1 0 338.404 4.086 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C)c2cccs2)c1F ZINC001173177123 1050335923 /nfs/dbraw/zinc/33/59/23/1050335923.db2.gz OWQPTBODGKOICT-WDEREUQCSA-N 1 0 338.404 4.086 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)c2cccc(C)c2)c1F ZINC001173180918 1050338093 /nfs/dbraw/zinc/33/80/93/1050338093.db2.gz ZOXSFBDFPNZCGI-KBPBESRZSA-N 1 0 346.402 4.333 20 5 EIBDRO CCC(CC)[N@H+](CC)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194828 1050339882 /nfs/dbraw/zinc/33/98/82/1050339882.db2.gz AMHXLIGPCLNSQT-LBPRGKRZSA-N 1 0 326.412 4.184 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC001173217234 1050350365 /nfs/dbraw/zinc/35/03/65/1050350365.db2.gz QZUGHUJWAUIGSY-LBPRGKRZSA-N 1 0 338.329 4.334 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC001173218219 1050350491 /nfs/dbraw/zinc/35/04/91/1050350491.db2.gz CDURAZGVNYKROS-BFUOFWGJSA-N 1 0 328.387 4.332 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2ccc(Cl)cc2C1 ZINC001173218025 1050350713 /nfs/dbraw/zinc/35/07/13/1050350713.db2.gz IQDOJVOAYTZRIN-SCLBCKFNSA-N 1 0 344.842 4.326 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC001173217233 1050350784 /nfs/dbraw/zinc/35/07/84/1050350784.db2.gz QZUGHUJWAUIGSY-GFCCVEGCSA-N 1 0 338.329 4.334 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001173216187 1050351317 /nfs/dbraw/zinc/35/13/17/1050351317.db2.gz LGBXTFUVYXLJAR-GFCCVEGCSA-N 1 0 338.329 4.334 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCc2c(F)cccc21 ZINC001173223615 1050354556 /nfs/dbraw/zinc/35/45/56/1050354556.db2.gz JCWMFUXYRMEKFL-YJYMSZOUSA-N 1 0 328.387 4.332 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001173224267 1050354696 /nfs/dbraw/zinc/35/46/96/1050354696.db2.gz DEYSGIJFEMRGAI-UUWFMWQGSA-N 1 0 330.815 4.325 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(CC2CCC2)CCOCC1 ZINC001173228302 1050356627 /nfs/dbraw/zinc/35/66/27/1050356627.db2.gz IVNKQTZCZRPRMX-INIZCTEOSA-N 1 0 346.471 4.102 20 5 EIBDRO COc1cccc(CC(C)(C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173226544 1050356886 /nfs/dbraw/zinc/35/68/86/1050356886.db2.gz XOKJNOVEOHRMKJ-HNNXBMFYSA-N 1 0 342.439 4.145 20 5 EIBDRO COc1ccccc1[C@H]1CCC[N@@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173228384 1050357630 /nfs/dbraw/zinc/35/76/30/1050357630.db2.gz VUBKVNUUGZEYHH-DNVCBOLYSA-N 1 0 340.423 4.372 20 5 EIBDRO CC(C)[N@H+](CC(=O)c1ccccc1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173232829 1050359113 /nfs/dbraw/zinc/35/91/13/1050359113.db2.gz IENKMQVMYLLJNY-MRXNPFEDSA-N 1 0 340.423 4.119 20 5 EIBDRO CC(C)Oc1ccc(CC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173233440 1050360013 /nfs/dbraw/zinc/36/00/13/1050360013.db2.gz ISIDNPFEGAKGIJ-INIZCTEOSA-N 1 0 342.439 4.145 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)c1cc(F)cc(F)c1 ZINC001173232817 1050360278 /nfs/dbraw/zinc/36/02/78/1050360278.db2.gz GAUZQEAVYBAGND-GFCCVEGCSA-N 1 0 334.366 4.329 20 5 EIBDRO COc1cccc([C@@H]2CC[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001173231932 1050360339 /nfs/dbraw/zinc/36/03/39/1050360339.db2.gz OZKWTDOOHDYGQX-MAUKXSAKSA-N 1 0 340.423 4.024 20 5 EIBDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC001173230685 1050360670 /nfs/dbraw/zinc/36/06/70/1050360670.db2.gz UIGSOMULHXGBDQ-VBKZILBWSA-N 1 0 340.423 4.202 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1c(Cl)cncc1Cl ZINC001173234821 1050362930 /nfs/dbraw/zinc/36/29/30/1050362930.db2.gz QEWRNOBUTHSNCZ-SNVBAGLBSA-N 1 0 340.210 4.017 20 5 EIBDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173213930 1050373551 /nfs/dbraw/zinc/37/35/51/1050373551.db2.gz MDMSSNALALWMOP-HNNXBMFYSA-N 1 0 328.412 4.103 20 5 EIBDRO O=[N+]([O-])c1ccccc1S[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001186757351 1050407307 /nfs/dbraw/zinc/40/73/07/1050407307.db2.gz SLRWMYYSJSESRV-MRXNPFEDSA-N 1 0 328.437 4.352 20 5 EIBDRO Cc1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3Cl)C2)c1 ZINC001187189745 1050499035 /nfs/dbraw/zinc/49/90/35/1050499035.db2.gz HHESHNAKOPMDFN-OAHLLOKOSA-N 1 0 345.830 4.243 20 5 EIBDRO CO[C@](C)(C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccccc1 ZINC001178763028 1050549511 /nfs/dbraw/zinc/54/95/11/1050549511.db2.gz XXLDVUKTIFZZCC-HXUWFJFHSA-N 1 0 342.439 4.370 20 5 EIBDRO CC1(C)CCC[C@H]1C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001178783438 1050553142 /nfs/dbraw/zinc/55/31/42/1050553142.db2.gz PXOSPNWJRFWJCL-NSHDSACASA-N 1 0 341.249 4.273 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H](O)C(C)C ZINC001178959477 1050600020 /nfs/dbraw/zinc/60/00/20/1050600020.db2.gz XMIUVNVEOHSPKV-YJBOKZPZSA-N 1 0 348.468 4.208 20 5 EIBDRO Cc1ccncc1[C@@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618985557 1050611076 /nfs/dbraw/zinc/61/10/76/1050611076.db2.gz MLRFAPWOJWNQOD-FZKQIMNGSA-N 1 0 325.412 4.371 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(C(F)(F)F)CCCC1 ZINC001179286113 1050664802 /nfs/dbraw/zinc/66/48/02/1050664802.db2.gz ZUGKPHQPCMDYJJ-UHFFFAOYSA-N 1 0 330.350 4.424 20 5 EIBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001179348303 1050671930 /nfs/dbraw/zinc/67/19/30/1050671930.db2.gz VYLZCTVAIGOXHU-SJBDTSRBSA-N 1 0 346.452 4.225 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(O)c(Cl)c1 ZINC001179507158 1050713229 /nfs/dbraw/zinc/71/32/29/1050713229.db2.gz QZANCAOFJXZLSL-KPKJPENVSA-N 1 0 332.787 4.147 20 5 EIBDRO CC1(C)CO[C@@H](CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC001179579676 1050733324 /nfs/dbraw/zinc/73/33/24/1050733324.db2.gz TXJCCXBZGIWPDP-INIZCTEOSA-N 1 0 344.411 4.150 20 5 EIBDRO C[C@H]([NH2+]CC(=O)Nc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000775185464 1050820703 /nfs/dbraw/zinc/82/07/03/1050820703.db2.gz BXRLEZQTRSUKSD-AWEZNQCLSA-N 1 0 349.390 4.037 20 5 EIBDRO CCO[C@@H]1C[C@@H]([N@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC001180132858 1050882524 /nfs/dbraw/zinc/88/25/24/1050882524.db2.gz NROXLBCEIQWAHL-JIEALELQSA-N 1 0 344.455 4.278 20 5 EIBDRO CC(C)c1cccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC001180497049 1051020536 /nfs/dbraw/zinc/02/05/36/1051020536.db2.gz CAMRVMMWSKGYNI-UHFFFAOYSA-N 1 0 339.439 4.040 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)c(Cl)c1 ZINC001180865959 1051097666 /nfs/dbraw/zinc/09/76/66/1051097666.db2.gz WOGIPJRYKMROHH-OAHLLOKOSA-N 1 0 338.835 4.220 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC001174844852 1051207181 /nfs/dbraw/zinc/20/71/81/1051207181.db2.gz ICRJJDTYWAXIKH-CQSZACIVSA-N 1 0 332.350 4.253 20 5 EIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(C(F)F)c(F)c1 ZINC001181697836 1051290880 /nfs/dbraw/zinc/29/08/80/1051290880.db2.gz OFENDDWUBPRBTK-UHFFFAOYSA-N 1 0 338.329 4.346 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C(C)C)C1CCCCC1 ZINC001191870799 1051576695 /nfs/dbraw/zinc/57/66/95/1051576695.db2.gz LPHLCNDMZIMNHI-UHFFFAOYSA-N 1 0 347.459 4.275 20 5 EIBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000774408374 1051581688 /nfs/dbraw/zinc/58/16/88/1051581688.db2.gz INKHBKMJMVKXNM-QZTJIDSGSA-N 1 0 348.830 4.269 20 5 EIBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000774410574 1051581888 /nfs/dbraw/zinc/58/18/88/1051581888.db2.gz PTLVWDCWMUOZFF-QZTJIDSGSA-N 1 0 348.830 4.269 20 5 EIBDRO CCc1ccc([C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000774411657 1051582894 /nfs/dbraw/zinc/58/28/94/1051582894.db2.gz QOVQMMMSAHVBSF-UXHICEINSA-N 1 0 342.439 4.178 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(Cl)c(N)c(Cl)c1 ZINC000774446111 1051596146 /nfs/dbraw/zinc/59/61/46/1051596146.db2.gz FMNMGOQAGKDKOH-SECBINFHSA-N 1 0 340.210 4.335 20 5 EIBDRO Cc1cccc([C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C)c1 ZINC000775525502 1051726230 /nfs/dbraw/zinc/72/62/30/1051726230.db2.gz YWVXXIHAPYIWTK-RTBURBONSA-N 1 0 342.439 4.314 20 5 EIBDRO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC001183059925 1051780576 /nfs/dbraw/zinc/78/05/76/1051780576.db2.gz QMNSUKFKRLALTN-YVWKXTFCSA-N 1 0 346.471 4.101 20 5 EIBDRO C[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CC[S@](=O)C1 ZINC000763651399 1051812494 /nfs/dbraw/zinc/81/24/94/1051812494.db2.gz ICGHBXJWXPOZNN-GYCJOSAFSA-N 1 0 337.488 4.193 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC001193066292 1051860074 /nfs/dbraw/zinc/86/00/74/1051860074.db2.gz BBHJTUPDHRVRAS-FQEVSTJZSA-N 1 0 340.423 4.201 20 5 EIBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001193081223 1051864754 /nfs/dbraw/zinc/86/47/54/1051864754.db2.gz NJGYBMVIDOOJNJ-WBVHZDCISA-N 1 0 347.459 4.180 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC001193055543 1051867511 /nfs/dbraw/zinc/86/75/11/1051867511.db2.gz XSJJLCMPNRXITI-GOSISDBHSA-N 1 0 326.396 4.331 20 5 EIBDRO Cc1cccc(C)c1OCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001176035668 1051881597 /nfs/dbraw/zinc/88/15/97/1051881597.db2.gz AFBQUUBUWWFQBR-INIZCTEOSA-N 1 0 328.412 4.331 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC001183847047 1051904399 /nfs/dbraw/zinc/90/43/99/1051904399.db2.gz XQFBYYCTFYPHNQ-MJVIPROJSA-N 1 0 328.334 4.139 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@@H]1Cc1ccccc1 ZINC001184340470 1051997185 /nfs/dbraw/zinc/99/71/85/1051997185.db2.gz XAUZXFFWZGDBRL-LSTHTHJFSA-N 1 0 338.451 4.384 20 5 EIBDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001193872953 1052020902 /nfs/dbraw/zinc/02/09/02/1052020902.db2.gz PSIDEVUNQWZESK-INIZCTEOSA-N 1 0 326.824 4.029 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC001184500633 1052032963 /nfs/dbraw/zinc/03/29/63/1052032963.db2.gz LBTADJZWCRVNPV-MRXNPFEDSA-N 1 0 331.441 4.214 20 5 EIBDRO C[NH+](C)CCn1cc(Nc2ccc3cc4ccccc4cc3c2)cn1 ZINC001176449138 1052075037 /nfs/dbraw/zinc/07/50/37/1052075037.db2.gz GPKNPPRPQXYKRS-UHFFFAOYSA-N 1 0 330.435 4.495 20 5 EIBDRO C[NH+](C)CCn1cc(Nc2c(N)c3ccccc3c3ccccc32)cn1 ZINC001176448836 1052075550 /nfs/dbraw/zinc/07/55/50/1052075550.db2.gz BSLXWTBTZOGIDZ-UHFFFAOYSA-N 1 0 345.450 4.077 20 5 EIBDRO CC[NH+](CC)[C@@H](CNc1cc(Cl)ccc1[N+](=O)[O-])CC(C)C ZINC001184740080 1052097822 /nfs/dbraw/zinc/09/78/22/1052097822.db2.gz KRKJHVYUKCZPGE-CQSZACIVSA-N 1 0 327.856 4.417 20 5 EIBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC001184874570 1052122486 /nfs/dbraw/zinc/12/24/86/1052122486.db2.gz QYWBLHHSYKYBQL-CYBMUJFWSA-N 1 0 325.840 4.315 20 5 EIBDRO CCC[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC001185212358 1052196838 /nfs/dbraw/zinc/19/68/38/1052196838.db2.gz UAZYIQQMCFLYSQ-UHFFFAOYSA-N 1 0 345.365 4.148 20 5 EIBDRO CCC[C@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC001176892018 1052202405 /nfs/dbraw/zinc/20/24/05/1052202405.db2.gz PJTJKXVUQRLLTP-IBGZPJMESA-N 1 0 328.412 4.409 20 5 EIBDRO C[NH+](C)[C@@H](CNc1c(F)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001185583437 1052274004 /nfs/dbraw/zinc/27/40/04/1052274004.db2.gz JZEUHHUCFPBDIC-HNNXBMFYSA-N 1 0 337.782 4.102 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC001185701499 1052284448 /nfs/dbraw/zinc/28/44/48/1052284448.db2.gz IVKJKPPYZDQINK-KRWDZBQOSA-N 1 0 345.487 4.384 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000072558852 1052434479 /nfs/dbraw/zinc/43/44/79/1052434479.db2.gz UVVUDFSGJAUYSF-CQSZACIVSA-N 1 0 348.406 4.321 20 5 EIBDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001194807733 1053109213 /nfs/dbraw/zinc/10/92/13/1053109213.db2.gz SYHXDVPNABPRAG-HUUCEWRRSA-N 1 0 347.459 4.070 20 5 EIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCCCCCC3)CC2)cc1 ZINC000764488658 1053132423 /nfs/dbraw/zinc/13/24/23/1053132423.db2.gz IBHLYQWSBOQARJ-UHFFFAOYSA-N 1 0 331.460 4.266 20 5 EIBDRO Cc1cc(N2CCc3c(cccc3[N+](=O)[O-])C2)c2cc(F)ccc2[nH+]1 ZINC000864011944 1053134916 /nfs/dbraw/zinc/13/49/16/1053134916.db2.gz INRIDOHWDQSOLX-UHFFFAOYSA-N 1 0 337.354 4.153 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCO2 ZINC000850472238 1053248345 /nfs/dbraw/zinc/24/83/45/1053248345.db2.gz WUDXLXHANDNZPP-UONOGXRCSA-N 1 0 326.396 4.332 20 5 EIBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000794685299 1053265887 /nfs/dbraw/zinc/26/58/87/1053265887.db2.gz ORGTVIQCPCSIRN-CQSZACIVSA-N 1 0 343.383 4.475 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@H]2C[C@@H](O)c3ccccc32)c2cc([N+](=O)[O-])ccc21 ZINC000850526153 1053284441 /nfs/dbraw/zinc/28/44/41/1053284441.db2.gz BEFJPWIQTQCASR-GBESFXJTSA-N 1 0 338.407 4.085 20 5 EIBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001195156817 1053307827 /nfs/dbraw/zinc/30/78/27/1053307827.db2.gz ZORVMXAICLARRW-QZTJIDSGSA-N 1 0 325.412 4.148 20 5 EIBDRO Cc1c([C@H](C)[NH2+]CCCOc2ccccc2F)cccc1[N+](=O)[O-] ZINC000764931449 1053382275 /nfs/dbraw/zinc/38/22/75/1053382275.db2.gz WVSVINCAACETRG-AWEZNQCLSA-N 1 0 332.375 4.162 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]CCCOc2ccccc2F)cccc1[N+](=O)[O-] ZINC000764931452 1053383594 /nfs/dbraw/zinc/38/35/94/1053383594.db2.gz WVSVINCAACETRG-CQSZACIVSA-N 1 0 332.375 4.162 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)[C@H](O)c1ccccc1 ZINC000794828041 1053439323 /nfs/dbraw/zinc/43/93/23/1053439323.db2.gz ATDLBDREWZAKED-ZAAXVRCTSA-N 1 0 342.439 4.456 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000794830244 1053442157 /nfs/dbraw/zinc/44/21/57/1053442157.db2.gz ITHFYGUNTKALRE-ZAAXVRCTSA-N 1 0 342.439 4.456 20 5 EIBDRO COc1cc(C[N@@H+]2CCCC3(CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC001196040028 1053568713 /nfs/dbraw/zinc/56/87/13/1053568713.db2.gz TZJHCNJQBGHGOG-UHFFFAOYSA-N 1 0 336.407 4.289 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H](C)C[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000120684749 1053574015 /nfs/dbraw/zinc/57/40/15/1053574015.db2.gz WRLKAPWYJVFQHG-WTANOLMUSA-N 1 0 328.412 4.066 20 5 EIBDRO [NH3+]CC[C@H]1CN(c2ncnc3cc4ccccc4cc32)c2ccccc21 ZINC001168542190 1053598623 /nfs/dbraw/zinc/59/86/23/1053598623.db2.gz ATGSKGAWVRESAB-KRWDZBQOSA-N 1 0 340.430 4.367 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000852780716 1053610852 /nfs/dbraw/zinc/61/08/52/1053610852.db2.gz IGANBTQCWJBYEI-GFCCVEGCSA-N 1 0 346.814 4.424 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C)C[C@H](O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000120814717 1053622210 /nfs/dbraw/zinc/62/22/10/1053622210.db2.gz XDPKGRHAEBYANQ-COXVUDFISA-N 1 0 332.400 4.131 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1OC ZINC000866365811 1053706494 /nfs/dbraw/zinc/70/64/94/1053706494.db2.gz YJFGADDHCNANQM-GUYCJALGSA-N 1 0 344.411 4.414 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000121058256 1053729139 /nfs/dbraw/zinc/72/91/39/1053729139.db2.gz NILASYOWQVTSEU-PJFSTRORSA-N 1 0 346.402 4.205 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1OC ZINC000866509432 1053757966 /nfs/dbraw/zinc/75/79/66/1053757966.db2.gz YJFGADDHCNANQM-DYVFJYSZSA-N 1 0 344.411 4.414 20 5 EIBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cnn1C(C)(C)C ZINC000866540487 1053774744 /nfs/dbraw/zinc/77/47/44/1053774744.db2.gz PBBKCGKNZMOLTF-ZDUSSCGKSA-N 1 0 330.432 4.014 20 5 EIBDRO C[C@H](C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001196818362 1053779603 /nfs/dbraw/zinc/77/96/03/1053779603.db2.gz JICIULQDQRRDIW-OAHLLOKOSA-N 1 0 347.459 4.072 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cc2cnccc2o1 ZINC000866621356 1053810061 /nfs/dbraw/zinc/81/00/61/1053810061.db2.gz QZWXXBVZSSYTJI-SJCJKPOMSA-N 1 0 337.379 4.464 20 5 EIBDRO [NH3+]CC[C@H]1CN(c2cc(Cl)ccc2/C=C/[N+](=O)[O-])c2ccccc21 ZINC001168548938 1053812209 /nfs/dbraw/zinc/81/22/09/1053812209.db2.gz QCRKSSRJOHEOGK-PLWJUESGSA-N 1 0 343.814 4.172 20 5 EIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301311614 1053859220 /nfs/dbraw/zinc/85/92/20/1053859220.db2.gz GZDOIGKXSXZKME-AWEZNQCLSA-N 1 0 343.402 4.371 20 5 EIBDRO COC1CCC(CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000542665229 1053872075 /nfs/dbraw/zinc/87/20/75/1053872075.db2.gz HNMYVMKZIUBQAN-HJOIGYKYSA-N 1 0 334.460 4.101 20 5 EIBDRO Cc1c([C@H](C)[NH2+]CC2(c3ccccn3)CCC2)cccc1[N+](=O)[O-] ZINC000552338846 1053885291 /nfs/dbraw/zinc/88/52/91/1053885291.db2.gz QZNVMBFOIPBGJN-HNNXBMFYSA-N 1 0 325.412 4.071 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)C1CC1 ZINC000857083255 1054176332 /nfs/dbraw/zinc/17/63/32/1054176332.db2.gz VRQRECGUJVMYJK-UONOGXRCSA-N 1 0 343.254 4.089 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)C1CC1 ZINC000857083253 1054177548 /nfs/dbraw/zinc/17/75/48/1054177548.db2.gz VRQRECGUJVMYJK-KBPBESRZSA-N 1 0 343.254 4.089 20 5 EIBDRO CC[C@H](C[N@H+](CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000775895280 1054278559 /nfs/dbraw/zinc/27/85/59/1054278559.db2.gz KZCBEYIBUICLPJ-OXQOHEQNSA-N 1 0 342.439 4.144 20 5 EIBDRO CC[C@H](C[N@H+](CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000775895886 1054280313 /nfs/dbraw/zinc/28/03/13/1054280313.db2.gz OYWFMUPHHUHFPD-OXQOHEQNSA-N 1 0 342.439 4.144 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc([C@@H](C)O)cc1 ZINC000872028420 1054343979 /nfs/dbraw/zinc/34/39/79/1054343979.db2.gz RDOSAYVCESGQLG-CHWSQXEVSA-N 1 0 346.452 4.221 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000872039773 1054352247 /nfs/dbraw/zinc/35/22/47/1054352247.db2.gz HCOLBFXXAVOFKT-CHWSQXEVSA-N 1 0 331.441 4.166 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000872075513 1054380240 /nfs/dbraw/zinc/38/02/40/1054380240.db2.gz AZRZDWNLAPWYER-CYBMUJFWSA-N 1 0 331.441 4.179 20 5 EIBDRO C[C@@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087409 1054385798 /nfs/dbraw/zinc/38/57/98/1054385798.db2.gz CYFAJXMBAMHIKG-RWWNRMGGSA-N 1 0 328.334 4.353 20 5 EIBDRO COCC(C)(C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872104724 1054390582 /nfs/dbraw/zinc/39/05/82/1054390582.db2.gz NZTIJDRDMCZVDM-LBPRGKRZSA-N 1 0 326.462 4.030 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCC[C@H](c2cccnc2)C1)c1ccccc1[N+](=O)[O-] ZINC000872129504 1054404718 /nfs/dbraw/zinc/40/47/18/1054404718.db2.gz FAGORJILQWHWAL-VYDXJSESSA-N 1 0 325.412 4.367 20 5 EIBDRO Cc1c(C[NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000873022585 1054478557 /nfs/dbraw/zinc/47/85/57/1054478557.db2.gz OTSXULYDEDMVNZ-ICSRJNTNSA-N 1 0 340.423 4.161 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000873108336 1054486876 /nfs/dbraw/zinc/48/68/76/1054486876.db2.gz XDIGDMPITZKXEG-YLJYHZDGSA-N 1 0 340.423 4.222 20 5 EIBDRO C[C@]1(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1(Cl)Cl ZINC000828428122 1054784384 /nfs/dbraw/zinc/78/43/84/1054784384.db2.gz INXMDXRGDXJRKQ-CQSZACIVSA-N 1 0 329.227 4.143 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(C)cc(Cl)cc1C ZINC001201634526 1054860741 /nfs/dbraw/zinc/86/07/41/1054860741.db2.gz QZFHHTJQJKDEFK-UHFFFAOYSA-N 1 0 334.803 4.163 20 5 EIBDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1OC ZINC001201618885 1054866753 /nfs/dbraw/zinc/86/67/53/1054866753.db2.gz YHBKPTLAPBGKPC-QZTJIDSGSA-N 1 0 334.460 4.402 20 5 EIBDRO COc1ccc2c(c1)CCC[C@H]2C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001201911140 1054948174 /nfs/dbraw/zinc/94/81/74/1054948174.db2.gz MIGZYOJFRRKQHP-KRWDZBQOSA-N 1 0 340.423 4.122 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001202288312 1055124865 /nfs/dbraw/zinc/12/48/65/1055124865.db2.gz ARXCUXPUQMVQSY-ZWKOTPCHSA-N 1 0 340.423 4.419 20 5 EIBDRO Cc1csc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000877815008 1055128150 /nfs/dbraw/zinc/12/81/50/1055128150.db2.gz ZQGNKTJERFPHND-LBPRGKRZSA-N 1 0 337.832 4.003 20 5 EIBDRO CC(C)[N@@H+](Cc1cccc(Cl)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273769 1055139585 /nfs/dbraw/zinc/13/95/85/1055139585.db2.gz AFWDALSJDZILHA-SFHVURJKSA-N 1 0 348.830 4.192 20 5 EIBDRO COc1cccc([C@H]2C[C@H]([NH2+]Cc3c(C)ccc([N+](=O)[O-])c3C)C2)c1 ZINC001202409464 1055159565 /nfs/dbraw/zinc/15/95/65/1055159565.db2.gz XVRLNUOTUGOOFM-QAQDUYKDSA-N 1 0 340.423 4.256 20 5 EIBDRO CO[C@@H]([C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC001202408871 1055159599 /nfs/dbraw/zinc/15/95/99/1055159599.db2.gz SZJJYMQALXMMHN-XIKOKIGWSA-N 1 0 346.452 4.226 20 5 EIBDRO C[N@@H+]1CCC[C@H](CNc2ccc(F)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301452233 1055256554 /nfs/dbraw/zinc/25/65/54/1055256554.db2.gz XSKIKSHZIURAJH-PXAZEXFGSA-N 1 0 349.431 4.290 20 5 EIBDRO Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000780746752 1055287781 /nfs/dbraw/zinc/28/77/81/1055287781.db2.gz RHEADYNYDHQBIR-XHDPSFHLSA-N 1 0 331.441 4.396 20 5 EIBDRO COC[C@@H](O)CC[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC000765790964 1055309093 /nfs/dbraw/zinc/30/90/93/1055309093.db2.gz ORKGOGWKGUHUFN-AWEZNQCLSA-N 1 0 343.854 4.133 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000301484948 1055591565 /nfs/dbraw/zinc/59/15/65/1055591565.db2.gz WCARNSIOQNZZFF-KDOFPFPSSA-N 1 0 345.468 4.460 20 5 EIBDRO O=[N+]([O-])c1c(F)cccc1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000301528007 1055668012 /nfs/dbraw/zinc/66/80/12/1055668012.db2.gz OFLLXAKNXFKENN-CQSZACIVSA-N 1 0 335.404 4.044 20 5 EIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(O)c1 ZINC000282290886 1055774362 /nfs/dbraw/zinc/77/43/62/1055774362.db2.gz LSKMQBSQURNYDE-SNVBAGLBSA-N 1 0 340.301 4.170 20 5 EIBDRO CCN(C)c1ccccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000765848038 1055876278 /nfs/dbraw/zinc/87/62/78/1055876278.db2.gz DXTKELQPZZYOMM-OAHLLOKOSA-N 1 0 327.428 4.210 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000554846315 1056377866 /nfs/dbraw/zinc/37/78/66/1056377866.db2.gz SFANKRGVSMWMRH-OAHLLOKOSA-N 1 0 342.361 4.192 20 5 EIBDRO C[N@@H+](C/C=C\c1ccc(F)c(F)c1)CCc1cccc([N+](=O)[O-])c1 ZINC000554865933 1056428244 /nfs/dbraw/zinc/42/82/44/1056428244.db2.gz ZNNOFANEYPUUKV-HYXAFXHYSA-N 1 0 332.350 4.061 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(NC2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000742398170 1058593365 /nfs/dbraw/zinc/59/33/65/1058593365.db2.gz RSJUOYKFUPQBMA-UHFFFAOYSA-N 1 0 347.459 4.060 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2Oc2ccc(F)cc2)C1 ZINC001168977031 1060548271 /nfs/dbraw/zinc/54/82/71/1060548271.db2.gz HAPQCEQXJSVMPA-WMLDXEAASA-N 1 0 344.386 4.153 20 5 EIBDRO CC(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)(c1ccccc1)c1ccccc1 ZINC001168965969 1060559781 /nfs/dbraw/zinc/55/97/81/1060559781.db2.gz FHFRNHXIKRXAHV-FXAWDEMLSA-N 1 0 338.451 4.028 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC001168991912 1060569201 /nfs/dbraw/zinc/56/92/01/1060569201.db2.gz IFAHAWSNOIQRKJ-DOMZBBRYSA-N 1 0 342.361 4.120 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC001168991915 1060569437 /nfs/dbraw/zinc/56/94/37/1060569437.db2.gz IFAHAWSNOIQRKJ-IUODEOHRSA-N 1 0 342.361 4.120 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(SC(F)(F)F)cc1 ZINC001169001235 1060571711 /nfs/dbraw/zinc/57/17/11/1060571711.db2.gz DVTOVZFGNDPUGG-WZRBSPASSA-N 1 0 348.390 4.395 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(CCCc3ccccc3)CC2)C1 ZINC001169006402 1060575191 /nfs/dbraw/zinc/57/51/91/1060575191.db2.gz HRVCMJHLGJECLP-VQTJNVASSA-N 1 0 330.472 4.167 20 5 EIBDRO CCC[C@H]([NH2+]CCc1ccc(Cl)nc1)c1cccc([N+](=O)[O-])c1 ZINC000766590039 1060633035 /nfs/dbraw/zinc/63/30/35/1060633035.db2.gz RKKXLYQBBUNBAX-INIZCTEOSA-N 1 0 333.819 4.317 20 5 EIBDRO CC1(C)C[C@@H](Nc2cc([N+](=O)[O-])cc3cc[nH]c32)C[C@@](C)(C[NH3+])C1 ZINC001169143487 1060663593 /nfs/dbraw/zinc/66/35/93/1060663593.db2.gz KECUGHPEFGUXPL-FZKQIMNGSA-N 1 0 330.432 4.032 20 5 EIBDRO CC1(C)C[C@H](Nc2cc([N+](=O)[O-])cc3cc[nH]c32)C[C@](C)(C[NH3+])C1 ZINC001169143490 1060663771 /nfs/dbraw/zinc/66/37/71/1060663771.db2.gz KECUGHPEFGUXPL-UGSOOPFHSA-N 1 0 330.432 4.032 20 5 EIBDRO CC1(C)C[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169151921 1060671006 /nfs/dbraw/zinc/67/10/06/1060671006.db2.gz NLHHCAUBBODVJQ-ORAYPTAESA-N 1 0 342.443 4.099 20 5 EIBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000068836740 215340432 /nfs/dbraw/zinc/34/04/32/215340432.db2.gz NSJRSTVODGJLCK-HNNXBMFYSA-N 1 0 335.404 4.044 20 5 EIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc2cccc(F)c2o1 ZINC000475712028 1032415803 /nfs/dbraw/zinc/41/58/03/1032415803.db2.gz FFUPSWHYXNDGIM-LBPRGKRZSA-N 1 0 328.343 4.373 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1cccc(Cl)c1 ZINC000430224810 1019504882 /nfs/dbraw/zinc/50/48/82/1019504882.db2.gz LKBWBZZDPLCUSK-INIZCTEOSA-N 1 0 334.803 4.498 20 5 EIBDRO Cc1ccccc1OCCC[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001167084238 1019749452 /nfs/dbraw/zinc/74/94/52/1019749452.db2.gz MFWBIYLYSVZTAH-UHFFFAOYSA-N 1 0 348.830 4.458 20 5 EIBDRO COc1ccc([C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C(C)C)cc1 ZINC000547738388 1019912767 /nfs/dbraw/zinc/91/27/67/1019912767.db2.gz BQIFUWCKNBTRJN-LJQANCHMSA-N 1 0 328.412 4.133 20 5 EIBDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120729737 1020104418 /nfs/dbraw/zinc/10/44/18/1020104418.db2.gz BMAZQIHIYWDVKD-CZUORRHYSA-N 1 0 344.415 4.045 20 5 EIBDRO C[N@@H+]1CC[C@H](Nc2cnc3c4ccccc4c4ccccc4c3n2)C1 ZINC001167270260 1020743771 /nfs/dbraw/zinc/74/37/71/1020743771.db2.gz QMQYFMXQONWUGC-AWEZNQCLSA-N 1 0 328.419 4.052 20 5 EIBDRO COc1ccc(C[NH2+]C2CC(c3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000510288220 1020926123 /nfs/dbraw/zinc/92/61/23/1020926123.db2.gz OGGACJWJFKTNIE-UHFFFAOYSA-N 1 0 346.814 4.293 20 5 EIBDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177074616 1020951321 /nfs/dbraw/zinc/95/13/21/1020951321.db2.gz LONLVZZRYCHZJZ-UHFFFAOYSA-N 1 0 345.786 4.064 20 5 EIBDRO O=[N+]([O-])c1cccc(Nc2ccc(CC[NH+]3CCCC3)cc2)c1F ZINC001210379603 1021059242 /nfs/dbraw/zinc/05/92/42/1021059242.db2.gz DUQQCHUEDHQGIE-UHFFFAOYSA-N 1 0 329.375 4.116 20 5 EIBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC3(CCCCC3)C2)cc1 ZINC001167342411 1021327712 /nfs/dbraw/zinc/32/77/12/1021327712.db2.gz WVBFVXFCNNQJMC-UHFFFAOYSA-N 1 0 332.444 4.410 20 5 EIBDRO C[C@H]([NH2+]CCc1ccccc1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000471540621 1021652958 /nfs/dbraw/zinc/65/29/58/1021652958.db2.gz JDGJGLXSUBFCSI-LBPRGKRZSA-N 1 0 336.338 4.090 20 5 EIBDRO COc1cc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)ccc1C ZINC000468627368 1022070650 /nfs/dbraw/zinc/07/06/50/1022070650.db2.gz MSWBXTAGFDEYDV-NTEUORMPSA-N 1 0 326.396 4.105 20 5 EIBDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000549037500 1022200465 /nfs/dbraw/zinc/20/04/65/1022200465.db2.gz HHJZUZDCGBSARR-KPZWWZAWSA-N 1 0 344.386 4.389 20 5 EIBDRO Cc1cc(N2CCC(OC(C)(C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340773759 1022459048 /nfs/dbraw/zinc/45/90/48/1022459048.db2.gz JENQSGASZULJAJ-UHFFFAOYSA-N 1 0 343.427 4.235 20 5 EIBDRO C[C@H]([NH2+]Cc1cc(F)cc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000180453649 1022675562 /nfs/dbraw/zinc/67/55/62/1022675562.db2.gz BAKLIPMZCQYXRH-LBPRGKRZSA-N 1 0 325.343 4.133 20 5 EIBDRO CC(C)(CO)CCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180620281 1022751180 /nfs/dbraw/zinc/75/11/80/1022751180.db2.gz GMLLNVJNOIFCAR-LJQANCHMSA-N 1 0 342.439 4.073 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000181350173 1022956657 /nfs/dbraw/zinc/95/66/57/1022956657.db2.gz NCCPYCZACKQKSS-KRWDZBQOSA-N 1 0 343.427 4.408 20 5 EIBDRO Cc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000189377101 1023054595 /nfs/dbraw/zinc/05/45/95/1023054595.db2.gz RLJFIAXYZSLYQS-RHSMWYFYSA-N 1 0 326.396 4.386 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CCOc2c(C)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000189375515 1023056360 /nfs/dbraw/zinc/05/63/60/1023056360.db2.gz FBEHHNYPDFQUJN-ZWKOTPCHSA-N 1 0 326.396 4.468 20 5 EIBDRO CC[C@H]([NH2+][C@H]1CCOc2c(C)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000189465988 1023058379 /nfs/dbraw/zinc/05/83/79/1023058379.db2.gz FBEHHNYPDFQUJN-ROUUACIJSA-N 1 0 326.396 4.468 20 5 EIBDRO Cc1nc([C@@H]2CCCN2C/C=C/c2ccccc2[N+](=O)[O-])cs1 ZINC000189925694 1023176812 /nfs/dbraw/zinc/17/68/12/1023176812.db2.gz HDJDOXBFYAUROT-PFWMLDTASA-N 1 0 329.425 4.210 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417299380 1023253143 /nfs/dbraw/zinc/25/31/43/1023253143.db2.gz MSDCHDUTJIFHLS-LJQANCHMSA-N 1 0 326.396 4.161 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCOC3(CCC3)C1)CCCC2 ZINC000417325321 1023267001 /nfs/dbraw/zinc/26/70/01/1023267001.db2.gz BVLLFCWLLJDAHP-DNVCBOLYSA-N 1 0 344.455 4.301 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(C(F)(F)F)CC1)CCCC2 ZINC000417330768 1023268751 /nfs/dbraw/zinc/26/87/51/1023268751.db2.gz LJAKMYMTATVJQE-AWEZNQCLSA-N 1 0 328.334 4.294 20 5 EIBDRO Cc1ccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)nc1C ZINC000417384812 1023298384 /nfs/dbraw/zinc/29/83/84/1023298384.db2.gz XMUGALRKZUVBLD-LJQANCHMSA-N 1 0 325.412 4.164 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)Cc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000537979655 1023314933 /nfs/dbraw/zinc/31/49/33/1023314933.db2.gz PDQIVSAVYYVTHV-IFXJQAMLSA-N 1 0 328.412 4.275 20 5 EIBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132321 1023469866 /nfs/dbraw/zinc/46/98/66/1023469866.db2.gz XZLPSWRFGQBTNM-AZUAARDMSA-N 1 0 340.423 4.195 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000120288174 1023590451 /nfs/dbraw/zinc/59/04/51/1023590451.db2.gz PAWBWCILWMMRMI-ORAYPTAESA-N 1 0 341.411 4.355 20 5 EIBDRO CCCCCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000236775423 1023653523 /nfs/dbraw/zinc/65/35/23/1023653523.db2.gz QJUNJYXBMPMWJW-UHFFFAOYSA-N 1 0 328.412 4.454 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000120293057 1023744194 /nfs/dbraw/zinc/74/41/94/1023744194.db2.gz SVENGFLQWAHSEF-QGZVFWFLSA-N 1 0 344.411 4.243 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](c4cccnc4)C3)o2)cc1 ZINC000581944282 1023921085 /nfs/dbraw/zinc/92/10/85/1023921085.db2.gz AWNGSOBTYTWUMN-KRWDZBQOSA-N 1 0 349.390 4.239 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@H]4CCC[C@H]43)cs2)c1 ZINC000511844090 1023931519 /nfs/dbraw/zinc/93/15/19/1023931519.db2.gz PLBDGVYXIGDJRZ-CXAGYDPISA-N 1 0 343.452 4.483 20 5 EIBDRO Cc1ccc(CNc2ccc(C[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000124453005 1023954795 /nfs/dbraw/zinc/95/47/95/1023954795.db2.gz POKFUQSBHOPVEI-UHFFFAOYSA-N 1 0 325.412 4.111 20 5 EIBDRO Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000893472379 1024283564 /nfs/dbraw/zinc/28/35/64/1024283564.db2.gz LOFMZDGXZTTZAI-GFCCVEGCSA-N 1 0 337.832 4.180 20 5 EIBDRO C[C@@H](CCc1c(F)cccc1F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000510728933 1024358532 /nfs/dbraw/zinc/35/85/32/1024358532.db2.gz CCEJLPIGSXDHRR-ZDUSSCGKSA-N 1 0 334.366 4.026 20 5 EIBDRO CCC[C@@H](CCO)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000236880330 1024840870 /nfs/dbraw/zinc/84/08/70/1024840870.db2.gz ZDDRIEPRJNOUNP-AWEZNQCLSA-N 1 0 348.468 4.212 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000610804221 1024986511 /nfs/dbraw/zinc/98/65/11/1024986511.db2.gz YCVNTGDFDXTOEU-KBPBESRZSA-N 1 0 345.468 4.068 20 5 EIBDRO COc1ccccc1OCCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000610810361 1024995039 /nfs/dbraw/zinc/99/50/39/1024995039.db2.gz XGIRSMKZBVYEDM-HNNXBMFYSA-N 1 0 344.411 4.032 20 5 EIBDRO COc1ccc(C[N@@H+](Cc2ccccc2)CC2CCC2)cc1[N+](=O)[O-] ZINC000065161776 1025060837 /nfs/dbraw/zinc/06/08/37/1025060837.db2.gz PWFITXNFUNUKKX-UHFFFAOYSA-N 1 0 340.423 4.406 20 5 EIBDRO Cc1c(C[NH+]2CCC(OC3CCC(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000342017309 1025250499 /nfs/dbraw/zinc/25/04/99/1025250499.db2.gz XEBHNIJMTKOIHK-UHFFFAOYSA-N 1 0 346.471 4.463 20 5 EIBDRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000611561492 1025386044 /nfs/dbraw/zinc/38/60/44/1025386044.db2.gz RMIUHHFUJDGHHO-HRLNJXSSSA-N 1 0 328.334 4.271 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000510998290 1025394398 /nfs/dbraw/zinc/39/43/98/1025394398.db2.gz OALVXVYHKSGTGG-SWLSCSKDSA-N 1 0 328.815 4.299 20 5 EIBDRO CC1(C)CCC[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000236908270 1025434035 /nfs/dbraw/zinc/43/40/35/1025434035.db2.gz OQLLXWJYMWADKC-HNNXBMFYSA-N 1 0 331.441 4.387 20 5 EIBDRO COc1ccc(C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000506742495 1025552104 /nfs/dbraw/zinc/55/21/04/1025552104.db2.gz GTJOHOYULVCTTH-UHFFFAOYSA-N 1 0 326.396 4.076 20 5 EIBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C)c2)[NH+]2CCCC2)o1 ZINC000506796876 1025760270 /nfs/dbraw/zinc/76/02/70/1025760270.db2.gz JNKSXJROIWOMKO-QGZVFWFLSA-N 1 0 329.400 4.054 20 5 EIBDRO CC[C@H]([NH2+][C@H]1CCc2ccccc2OC1)c1cccc([N+](=O)[O-])c1 ZINC000511038507 1025795648 /nfs/dbraw/zinc/79/56/48/1025795648.db2.gz RHAGWCWHZAGNCZ-WMZOPIPTSA-N 1 0 326.396 4.029 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000266435060 1025856402 /nfs/dbraw/zinc/85/64/02/1025856402.db2.gz FBLUFBXKWHXZHR-CHWSQXEVSA-N 1 0 330.384 4.024 20 5 EIBDRO CCC[C@@H]([NH2+]CCCc1nc(C(C)C)no1)c1cccc([N+](=O)[O-])c1 ZINC000178515474 1025865681 /nfs/dbraw/zinc/86/56/81/1025865681.db2.gz CIQGJNHXIRKOOD-MRXNPFEDSA-N 1 0 346.431 4.165 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1cc(F)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000187597177 1025878111 /nfs/dbraw/zinc/87/81/11/1025878111.db2.gz WJJCVACVQYVCOQ-QGZVFWFLSA-N 1 0 332.375 4.374 20 5 EIBDRO COCC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000342340055 1025895776 /nfs/dbraw/zinc/89/57/76/1025895776.db2.gz OXWHFNMXKICDHL-CRAIPNDOSA-N 1 0 328.412 4.332 20 5 EIBDRO C[C@@H](O)c1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000279029923 1025978116 /nfs/dbraw/zinc/97/81/16/1025978116.db2.gz IIEMTKDELXBFRX-YJYMSZOUSA-N 1 0 340.423 4.160 20 5 EIBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279094656 1026069197 /nfs/dbraw/zinc/06/91/97/1026069197.db2.gz NSUSTEHQQLRWHB-PIGZYNQJSA-N 1 0 343.427 4.315 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000344389201 1026366449 /nfs/dbraw/zinc/36/64/49/1026366449.db2.gz JFTXAAFFTXVHRK-HYXAFXHYSA-N 1 0 339.370 4.061 20 5 EIBDRO O=[N+]([O-])c1ccccc1CNC1(c2ccc(Br)cc2)CC1 ZINC000120028663 1026390329 /nfs/dbraw/zinc/39/03/29/1026390329.db2.gz UETDHAYAUVCZBL-UHFFFAOYSA-N 1 0 347.212 4.136 20 5 EIBDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000559952288 1026487747 /nfs/dbraw/zinc/48/77/47/1026487747.db2.gz HPYUHTOZUKIPJZ-GFCCVEGCSA-N 1 0 334.803 4.498 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCC[C@@H]3CCCF)c2c1 ZINC000582383585 1026529794 /nfs/dbraw/zinc/52/97/94/1026529794.db2.gz GHRXYGYKTJEBAC-DYVFJYSZSA-N 1 0 333.407 4.127 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cc(C)ccc1OC ZINC000478477686 1026569768 /nfs/dbraw/zinc/56/97/68/1026569768.db2.gz CHTXWYRNCSJJIG-QGZVFWFLSA-N 1 0 328.412 4.461 20 5 EIBDRO Cc1cc(N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000507001911 1026573463 /nfs/dbraw/zinc/57/34/63/1026573463.db2.gz MCRDMYKZWBJURT-CRAIPNDOSA-N 1 0 325.412 4.151 20 5 EIBDRO Cc1cc(N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000507001912 1026573984 /nfs/dbraw/zinc/57/39/84/1026573984.db2.gz MCRDMYKZWBJURT-MAUKXSAKSA-N 1 0 325.412 4.151 20 5 EIBDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000507134795 1026663981 /nfs/dbraw/zinc/66/39/81/1026663981.db2.gz OKECXUXXUNLRLR-SFHVURJKSA-N 1 0 342.443 4.006 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178640753 1026969364 /nfs/dbraw/zinc/96/93/64/1026969364.db2.gz WSYBPEQEAOIOBN-NSHDSACASA-N 1 0 340.301 4.344 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178650752 1027094557 /nfs/dbraw/zinc/09/45/57/1027094557.db2.gz GUPILADYNLDVRY-AZUAARDMSA-N 1 0 342.439 4.192 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1OC)c1cccc([N+](=O)[O-])c1 ZINC000121326170 1027162226 /nfs/dbraw/zinc/16/22/26/1027162226.db2.gz AVKFOJLFKMNYLL-SCLBCKFNSA-N 1 0 344.411 4.414 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178660631 1027265502 /nfs/dbraw/zinc/26/55/02/1027265502.db2.gz XCQAKBHHNLLOLT-GJZGRUSLSA-N 1 0 336.395 4.192 20 5 EIBDRO COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000121923004 1027328683 /nfs/dbraw/zinc/32/86/83/1027328683.db2.gz XMCDOBQYGSOGNA-UGSOOPFHSA-N 1 0 326.396 4.250 20 5 EIBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310795436 1027404512 /nfs/dbraw/zinc/40/45/12/1027404512.db2.gz FMJFBTAOYQTWLC-GOEBONIOSA-N 1 0 343.402 4.056 20 5 EIBDRO Cc1cccc([C@H]2CCCN2Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000178684297 1027500071 /nfs/dbraw/zinc/50/00/71/1027500071.db2.gz QKCMHJGYKYDZRY-QGZVFWFLSA-N 1 0 331.803 4.289 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000441401219 1027525054 /nfs/dbraw/zinc/52/50/54/1027525054.db2.gz XUZQZULIUKAJAR-SQNIBIBYSA-N 1 0 345.487 4.242 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000475550390 1027586996 /nfs/dbraw/zinc/58/69/96/1027586996.db2.gz RARFNVYSYMRRSZ-RDJZCZTQSA-N 1 0 344.386 4.168 20 5 EIBDRO CC[C@H](c1ccccc1)[N@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444603867 1027886005 /nfs/dbraw/zinc/88/60/05/1027886005.db2.gz YGIGXVJPCWTWEP-GOSISDBHSA-N 1 0 338.411 4.444 20 5 EIBDRO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000444661629 1027933360 /nfs/dbraw/zinc/93/33/60/1027933360.db2.gz IDZKVAFETDMAGP-SUMWQHHRSA-N 1 0 329.400 4.260 20 5 EIBDRO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(Cl)c1 ZINC000444678352 1027959653 /nfs/dbraw/zinc/95/96/53/1027959653.db2.gz WKJISXSIYBYWAG-CQSZACIVSA-N 1 0 344.802 4.365 20 5 EIBDRO O=[N+]([O-])c1cc(F)c(NCc2ccc(C[NH+]3CCCC3)cc2)c(F)c1 ZINC000440594463 1028194841 /nfs/dbraw/zinc/19/48/41/1028194841.db2.gz BKLWRMBPWAAZSN-UHFFFAOYSA-N 1 0 347.365 4.081 20 5 EIBDRO CC[C@@H]1CCCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000536372447 1028197835 /nfs/dbraw/zinc/19/78/35/1028197835.db2.gz XTXYGUWRFUEKCJ-MRXNPFEDSA-N 1 0 329.400 4.404 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000926493632 1028741536 /nfs/dbraw/zinc/74/15/36/1028741536.db2.gz WXERMFQVVUIAPN-KBPBESRZSA-N 1 0 328.412 4.234 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000278338612 1028916388 /nfs/dbraw/zinc/91/63/88/1028916388.db2.gz AFTHULHZPFOZAQ-YDHLFZDLSA-N 1 0 346.452 4.399 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000524690068 1029170827 /nfs/dbraw/zinc/17/08/27/1029170827.db2.gz PARPYOMIYUUFQH-UHFFFAOYSA-N 1 0 343.427 4.056 20 5 EIBDRO COC1CCC(C)(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000475191801 1029393522 /nfs/dbraw/zinc/39/35/22/1029393522.db2.gz FADHOUOBPMMVEP-RVDMUPIBSA-N 1 0 332.444 4.183 20 5 EIBDRO COC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(C)C ZINC000525195075 1029518746 /nfs/dbraw/zinc/51/87/46/1029518746.db2.gz LMVFSMRBTXAOIW-MRXNPFEDSA-N 1 0 334.441 4.084 20 5 EIBDRO COc1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl ZINC000450678306 1029894140 /nfs/dbraw/zinc/89/41/40/1029894140.db2.gz HSNHQJMLCCTNDA-GFCCVEGCSA-N 1 0 334.803 4.416 20 5 EIBDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000525758949 1029979945 /nfs/dbraw/zinc/97/99/45/1029979945.db2.gz YXOIOFMHBOYUFJ-KBPBESRZSA-N 1 0 348.468 4.210 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1ccc3ccccc3n1)CCC2 ZINC000447530854 1030125022 /nfs/dbraw/zinc/12/50/22/1030125022.db2.gz PJBOGQOHOFYPFH-OAQYLSRUSA-N 1 0 347.418 4.353 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCOc3ccccc31)CCC2 ZINC000447536358 1030141618 /nfs/dbraw/zinc/14/16/18/1030141618.db2.gz MQGXEUSYEQMEPC-DNVCBOLYSA-N 1 0 338.407 4.128 20 5 EIBDRO CCc1nc(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)sc1C ZINC000447540194 1030143692 /nfs/dbraw/zinc/14/36/92/1030143692.db2.gz IPWYQHRCNCCXHD-QGZVFWFLSA-N 1 0 345.468 4.132 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447544875 1030147718 /nfs/dbraw/zinc/14/77/18/1030147718.db2.gz WVGZMJFYBCZSBM-DJJJIMSYSA-N 1 0 326.396 4.332 20 5 EIBDRO CCO[C@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000447557426 1030165489 /nfs/dbraw/zinc/16/54/89/1030165489.db2.gz LTPRVSTUAFPGGV-DNVCBOLYSA-N 1 0 328.412 4.332 20 5 EIBDRO CCO[C@@H](C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000447567912 1030178786 /nfs/dbraw/zinc/17/87/86/1030178786.db2.gz FYAMSWMNQHSBIU-MOPGFXCFSA-N 1 0 328.412 4.413 20 5 EIBDRO CC1CCC([N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]2CCCO2)CC1 ZINC000441456053 1030186789 /nfs/dbraw/zinc/18/67/89/1030186789.db2.gz FPBPDHZWXAXLJI-VMWRSERWSA-N 1 0 332.444 4.155 20 5 EIBDRO CCc1cnccc1[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447579819 1030206459 /nfs/dbraw/zinc/20/64/59/1030206459.db2.gz LSGQZEKVRTYQIN-DJJJIMSYSA-N 1 0 325.412 4.280 20 5 EIBDRO COc1cc(C[NH2+][C@H](C)c2cccc(C3CC3)c2)c([N+](=O)[O-])cc1F ZINC000451115256 1030242035 /nfs/dbraw/zinc/24/20/35/1030242035.db2.gz NELVXVSNEREDAS-GFCCVEGCSA-N 1 0 344.386 4.471 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000451117718 1030244949 /nfs/dbraw/zinc/24/49/49/1030244949.db2.gz VCYURJXPDUJIJI-CYBMUJFWSA-N 1 0 326.396 4.332 20 5 EIBDRO CC(C)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000451099581 1030249635 /nfs/dbraw/zinc/24/96/35/1030249635.db2.gz MMFFCJHSSOMBCN-AWEZNQCLSA-N 1 0 341.411 4.008 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000127527587 1030460224 /nfs/dbraw/zinc/46/02/24/1030460224.db2.gz HQUHQGPPRSLPMY-WMZOPIPTSA-N 1 0 346.471 4.387 20 5 EIBDRO Cc1nc(C(C)C)oc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553107 1030571221 /nfs/dbraw/zinc/57/12/21/1030571221.db2.gz XHLPCJCHFMVATJ-MRXNPFEDSA-N 1 0 343.427 4.394 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCCN(C)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000451863603 1030747499 /nfs/dbraw/zinc/74/74/99/1030747499.db2.gz FZWVPQXKROZTCN-KDOFPFPSSA-N 1 0 325.412 4.217 20 5 EIBDRO Cc1ccc(C[NH2+]C[C@H]2SCCc3ccccc32)cc1[N+](=O)[O-] ZINC000530913264 1030806605 /nfs/dbraw/zinc/80/66/05/1030806605.db2.gz GXMZZUSOXJIRFO-GOSISDBHSA-N 1 0 328.437 4.023 20 5 EIBDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001168097339 1030808316 /nfs/dbraw/zinc/80/83/16/1030808316.db2.gz UXUBYKHXOJRZPV-UONOGXRCSA-N 1 0 330.432 4.166 20 5 EIBDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897460161 1031386687 /nfs/dbraw/zinc/38/66/87/1031386687.db2.gz FIXDXJWFRAJMFJ-XXAQJILISA-N 1 0 342.376 4.011 20 5 EIBDRO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001168234564 1031387577 /nfs/dbraw/zinc/38/75/77/1031387577.db2.gz MKRSJDUYFRWZKI-KBPBESRZSA-N 1 0 344.386 4.121 20 5 EIBDRO C[C@@H](C[NH2+][C@H](C)c1cc2cnccc2o1)c1ccccc1[N+](=O)[O-] ZINC000897461827 1031390329 /nfs/dbraw/zinc/39/03/29/1031390329.db2.gz YUDRYQKZRNZYGE-QWHCGFSZSA-N 1 0 325.368 4.190 20 5 EIBDRO C[C@@H](C[NH2+][C@@H](C)c1cc2cnccc2o1)c1ccccc1[N+](=O)[O-] ZINC000897461828 1031390883 /nfs/dbraw/zinc/39/08/83/1031390883.db2.gz YUDRYQKZRNZYGE-STQMWFEESA-N 1 0 325.368 4.190 20 5 EIBDRO CCN(CC)[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000531706669 1031490568 /nfs/dbraw/zinc/49/05/68/1031490568.db2.gz RPQIJPNLWBHLHG-QAPCUYQASA-N 1 0 345.443 4.230 20 5 EIBDRO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000531706935 1031493039 /nfs/dbraw/zinc/49/30/39/1031493039.db2.gz LFBOJJOCMSQLQH-AGRHKRQWSA-N 1 0 344.386 4.305 20 5 EIBDRO COc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000531728054 1031507696 /nfs/dbraw/zinc/50/76/96/1031507696.db2.gz DELKLMNAJSUGTN-LSDHHAIUSA-N 1 0 344.411 4.030 20 5 EIBDRO CC[NH+](CC)CCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000065944881 1031558330 /nfs/dbraw/zinc/55/83/30/1031558330.db2.gz BUNRSDIGUNOVEQ-UHFFFAOYSA-N 1 0 333.354 4.148 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(Cl)cc2Cl)cc1 ZINC000520247002 1031621227 /nfs/dbraw/zinc/62/12/27/1031621227.db2.gz NKBAFSWCADCDBN-UHFFFAOYSA-N 1 0 341.194 4.070 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000449328486 1031623374 /nfs/dbraw/zinc/62/33/74/1031623374.db2.gz JSFLUZMPJITKAP-XFQXTVEOSA-N 1 0 340.423 4.036 20 5 EIBDRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449347473 1031643948 /nfs/dbraw/zinc/64/39/48/1031643948.db2.gz HRMHISWDPCZIEW-ORAYPTAESA-N 1 0 326.396 4.332 20 5 EIBDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000453196122 1031707341 /nfs/dbraw/zinc/70/73/41/1031707341.db2.gz LJINXOFDRJTCFG-ZDUSSCGKSA-N 1 0 333.819 4.144 20 5 EIBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccccc2O1 ZINC000453270694 1031792962 /nfs/dbraw/zinc/79/29/62/1031792962.db2.gz PHPVCYQTXLFYAY-ZNZDAUKMSA-N 1 0 338.407 4.474 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000531967012 1031889542 /nfs/dbraw/zinc/88/95/42/1031889542.db2.gz LGTOGUOUTYJNKK-DLBZAZTESA-N 1 0 339.439 4.223 20 5 EIBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453375233 1031921757 /nfs/dbraw/zinc/92/17/57/1031921757.db2.gz IAILXLMZGBHHSS-HEHGZKQESA-N 1 0 346.452 4.135 20 5 EIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000453419578 1031975095 /nfs/dbraw/zinc/97/50/95/1031975095.db2.gz JORAXZLGLSPZMZ-YSVLISHTSA-N 1 0 346.452 4.097 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)cs1 ZINC000453597153 1032018702 /nfs/dbraw/zinc/01/87/02/1032018702.db2.gz BYMKTANLGDYOAY-KRWDZBQOSA-N 1 0 346.452 4.040 20 5 EIBDRO Cc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000573653711 1033421806 /nfs/dbraw/zinc/42/18/06/1033421806.db2.gz UBCQENULPDKFSG-GFCCVEGCSA-N 1 0 345.365 4.064 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC3(CCCCC3)C1)CCC2 ZINC000408447200 1033934599 /nfs/dbraw/zinc/93/45/99/1033934599.db2.gz BVPNLDAPQGDMHC-VQIMIIECSA-N 1 0 344.455 4.444 20 5 EIBDRO CC1(C)C[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433145188 1033938902 /nfs/dbraw/zinc/93/89/02/1033938902.db2.gz PKXDXKVRHKAPPI-KRWDZBQOSA-N 1 0 345.487 4.216 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2CCOC(C)(C)C2)c2cc([N+](=O)[O-])ccc21 ZINC000453441601 1034094076 /nfs/dbraw/zinc/09/40/76/1034094076.db2.gz WWHRFHMLEIDMJG-SUMWQHHRSA-N 1 0 332.444 4.112 20 5 EIBDRO COc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000483641746 1034538759 /nfs/dbraw/zinc/53/87/59/1034538759.db2.gz UXDQCWSGAKUBGT-DZGCQCFKSA-N 1 0 344.411 4.030 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000513116628 1034590975 /nfs/dbraw/zinc/59/09/75/1034590975.db2.gz IMQFTRWTUVJEBO-DLBZAZTESA-N 1 0 326.396 4.029 20 5 EIBDRO CCC[C@H]([NH2+]Cc1cc(COC)cs1)c1cccc([N+](=O)[O-])c1 ZINC000595077673 1035591204 /nfs/dbraw/zinc/59/12/04/1035591204.db2.gz PNXCIZXEPRBJRF-KRWDZBQOSA-N 1 0 334.441 4.434 20 5 EIBDRO COc1cccc(C2([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC000595093668 1035596241 /nfs/dbraw/zinc/59/62/41/1035596241.db2.gz MODNMKBTFNMTNW-CQSZACIVSA-N 1 0 326.396 4.333 20 5 EIBDRO COc1cccc(C2([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC000595093667 1035600930 /nfs/dbraw/zinc/60/09/30/1035600930.db2.gz MODNMKBTFNMTNW-AWEZNQCLSA-N 1 0 326.396 4.333 20 5 EIBDRO Cc1noc(C[N@@H+]([C@@H](C)c2ccccc2)C2CCCC2)c1[N+](=O)[O-] ZINC000595483696 1035679027 /nfs/dbraw/zinc/67/90/27/1035679027.db2.gz UUNWQSBMMCJXQU-AWEZNQCLSA-N 1 0 329.400 4.397 20 5 EIBDRO Cc1noc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000595450211 1035683066 /nfs/dbraw/zinc/68/30/66/1035683066.db2.gz SFKNCUZVQMTHAE-BBWFWOEESA-N 1 0 341.411 4.049 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCC(F)(F)C2)o1 ZINC000430044179 1035852004 /nfs/dbraw/zinc/85/20/04/1035852004.db2.gz VIEJMQMAXHPCII-LBPRGKRZSA-N 1 0 336.338 4.380 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000502245816 1035971203 /nfs/dbraw/zinc/97/12/03/1035971203.db2.gz BQOIPHWPESGREJ-QILLFSRXSA-N 1 0 325.412 4.367 20 5 EIBDRO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)CC1=CCSC1 ZINC000597246505 1036176211 /nfs/dbraw/zinc/17/62/11/1036176211.db2.gz VGVWRHPGNKBPMB-UHFFFAOYSA-N 1 0 346.477 4.428 20 5 EIBDRO C[C@@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1ccc([N+](=O)[O-])cc1 ZINC000593320703 1036179413 /nfs/dbraw/zinc/17/94/13/1036179413.db2.gz DLUFJZRQDZODIL-PBHICJAKSA-N 1 0 325.412 4.062 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000485793460 1036265593 /nfs/dbraw/zinc/26/55/93/1036265593.db2.gz OYMSYEYHJUSOBA-LIRRHRJNSA-N 1 0 344.386 4.177 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000485795478 1036273255 /nfs/dbraw/zinc/27/32/55/1036273255.db2.gz GRZBURQPFNSNJH-NSHDSACASA-N 1 0 343.408 4.064 20 5 EIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C)c1ccc(F)cc1 ZINC000485801629 1036284463 /nfs/dbraw/zinc/28/44/63/1036284463.db2.gz PULRKURPAUNXDM-ZDUSSCGKSA-N 1 0 332.375 4.326 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-c3cnco3)cc1)CCC2 ZINC000906524499 1036315541 /nfs/dbraw/zinc/31/55/41/1036315541.db2.gz DLTBPFIVVOOMQT-IBGZPJMESA-N 1 0 349.390 4.417 20 5 EIBDRO CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H](O)c1ccc(C)cc1 ZINC000761254303 1036457677 /nfs/dbraw/zinc/45/76/77/1036457677.db2.gz UIWFOQOKKYLXLC-SFHVURJKSA-N 1 0 348.830 4.112 20 5 EIBDRO C[C@@H](CF)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000588930343 1036608693 /nfs/dbraw/zinc/60/86/93/1036608693.db2.gz FELPMJKRRNPVQW-NSHDSACASA-N 1 0 338.766 4.488 20 5 EIBDRO Cn1cc(C[NH2+][C@@H](c2cccc(Cl)c2)C2CCCC2)c([N+](=O)[O-])n1 ZINC000602805437 1036629010 /nfs/dbraw/zinc/62/90/10/1036629010.db2.gz NAEYCQNXAZUZMM-MRXNPFEDSA-N 1 0 348.834 4.003 20 5 EIBDRO COc1ccc(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000061003352 1036757550 /nfs/dbraw/zinc/75/75/50/1036757550.db2.gz CLNQHQQHJDBOAZ-UHFFFAOYSA-N 1 0 328.412 4.059 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486714469 1036823838 /nfs/dbraw/zinc/82/38/38/1036823838.db2.gz UVUTXZAUNAHHMR-UHFFFAOYSA-N 1 0 347.777 4.201 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2N(C)C)cc1[N+](=O)[O-] ZINC000598963617 1036827944 /nfs/dbraw/zinc/82/79/44/1036827944.db2.gz AGQZYHFPAQKSMY-GFCCVEGCSA-N 1 0 349.381 4.098 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccsc2C(F)(F)F)cc1 ZINC000598962725 1036828170 /nfs/dbraw/zinc/82/81/70/1036828170.db2.gz IHQBSJRHVNKDRQ-UHFFFAOYSA-N 1 0 330.331 4.007 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@@H]3CCCOC3)s2)cc1 ZINC000598984809 1036843030 /nfs/dbraw/zinc/84/30/30/1036843030.db2.gz CBOWTOBYPGWYKT-AWEZNQCLSA-N 1 0 346.452 4.230 20 5 EIBDRO CCC[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000593716712 1036932153 /nfs/dbraw/zinc/93/21/53/1036932153.db2.gz RMJHZFVPKNEMEJ-RTBURBONSA-N 1 0 332.444 4.231 20 5 EIBDRO Cc1ccncc1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590173480 1037012249 /nfs/dbraw/zinc/01/22/49/1037012249.db2.gz TXQGWPJDPQVMCD-NSHDSACASA-N 1 0 339.317 4.168 20 5 EIBDRO CCc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000487177660 1037034865 /nfs/dbraw/zinc/03/48/65/1037034865.db2.gz ZOQQBVHLYBDBLI-UHFFFAOYSA-N 1 0 338.329 4.466 20 5 EIBDRO COC[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000487200061 1037046628 /nfs/dbraw/zinc/04/66/28/1037046628.db2.gz PBVYMYQXXLNRSD-XQDHMALISA-N 1 0 346.814 4.239 20 5 EIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000603854139 1037047942 /nfs/dbraw/zinc/04/79/42/1037047942.db2.gz SDOYCOONNBOTPY-MRXNPFEDSA-N 1 0 346.814 4.464 20 5 EIBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)cc1[N+](=O)[O-] ZINC000603855854 1037050283 /nfs/dbraw/zinc/05/02/83/1037050283.db2.gz ZDPNPKQWNKXECW-GOSISDBHSA-N 1 0 340.423 4.201 20 5 EIBDRO O=[N+]([O-])c1ccccc1OCC[N@H+](Cc1ccco1)C1CCCC1 ZINC000603855190 1037050624 /nfs/dbraw/zinc/05/06/24/1037050624.db2.gz DYTGLXUXRVDVJT-UHFFFAOYSA-N 1 0 330.384 4.011 20 5 EIBDRO CCOc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000487333430 1037127184 /nfs/dbraw/zinc/12/71/84/1037127184.db2.gz MKOPRCLIHNWMIN-UHFFFAOYSA-N 1 0 332.375 4.158 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1sccc1Cl ZINC000487550639 1037146193 /nfs/dbraw/zinc/14/61/93/1037146193.db2.gz RHHXBBRCUILWAR-UHFFFAOYSA-N 1 0 331.224 4.295 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCC(OC(F)F)CC1)CCC2 ZINC000590780070 1037162963 /nfs/dbraw/zinc/16/29/63/1037162963.db2.gz BLAPUBQZMUDCIU-LDZOIKDWSA-N 1 0 340.370 4.112 20 5 EIBDRO Cc1cc(Cl)ccc1OCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000604419155 1037385515 /nfs/dbraw/zinc/38/55/15/1037385515.db2.gz WKHCQWONOHTLLE-UHFFFAOYSA-N 1 0 334.803 4.115 20 5 EIBDRO Cc1cc([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)oc1C ZINC000573836077 1037684829 /nfs/dbraw/zinc/68/48/29/1037684829.db2.gz ASJKKNLENMTMFB-LBPRGKRZSA-N 1 0 327.384 4.179 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592157339 1037764911 /nfs/dbraw/zinc/76/49/11/1037764911.db2.gz UVTHCKQQGSHNFO-AWEZNQCLSA-N 1 0 348.443 4.100 20 5 EIBDRO CSC[C@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000488985187 1037826252 /nfs/dbraw/zinc/82/62/52/1037826252.db2.gz QUPQXKISJPZTHK-ZDUSSCGKSA-N 1 0 331.441 4.031 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000489150034 1037882845 /nfs/dbraw/zinc/88/28/45/1037882845.db2.gz AJPDUKOAJQBGSI-QRWLVFNGSA-N 1 0 340.423 4.210 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000593055454 1037911677 /nfs/dbraw/zinc/91/16/77/1037911677.db2.gz VPVOEERNMYJMSC-JTQLQIEISA-N 1 0 332.297 4.022 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCCOC1 ZINC000503912351 1038012234 /nfs/dbraw/zinc/01/22/34/1038012234.db2.gz NLXGVGYTZCZOHV-ZFWWWQNUSA-N 1 0 346.452 4.228 20 5 EIBDRO CC(C)c1ccc([C@@H]([NH3+])CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000423235118 1038052779 /nfs/dbraw/zinc/05/27/79/1038052779.db2.gz GHUVHXIREOMJKX-KUHUBIRLSA-N 1 0 327.428 4.069 20 5 EIBDRO CC(C)c1ccc([C@@H]([NH3+])CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000423243138 1038076264 /nfs/dbraw/zinc/07/62/64/1038076264.db2.gz MTRKAWPNUDPSRU-KUHUBIRLSA-N 1 0 327.428 4.069 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCc3cc(N)ccc32)cccc1[N+](=O)[O-] ZINC000423342185 1038158261 /nfs/dbraw/zinc/15/82/61/1038158261.db2.gz CZBFEDJTWAXEJA-SCLBCKFNSA-N 1 0 325.412 4.214 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490017012 1038317440 /nfs/dbraw/zinc/31/74/40/1038317440.db2.gz XESOBGCVZMUMIK-YJBOKZPZSA-N 1 0 325.412 4.232 20 5 EIBDRO CC(C)[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cccnc1 ZINC000594496825 1038345625 /nfs/dbraw/zinc/34/56/25/1038345625.db2.gz XCMNPOPHDVXLIJ-ROUUACIJSA-N 1 0 325.412 4.007 20 5 EIBDRO COc1c(C)cccc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000594511047 1038355318 /nfs/dbraw/zinc/35/53/18/1038355318.db2.gz QNSDSBNVSZMPGK-GOSISDBHSA-N 1 0 326.396 4.079 20 5 EIBDRO Cc1c(NC(=O)CC[N@H+](C2CC2)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000063497950 1038394383 /nfs/dbraw/zinc/39/43/83/1038394383.db2.gz ZUPFHTLYHMBBIN-UHFFFAOYSA-N 1 0 345.443 4.029 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000574832713 1038435785 /nfs/dbraw/zinc/43/57/85/1038435785.db2.gz IDJKHEDNJGWLQV-FZKQIMNGSA-N 1 0 348.830 4.331 20 5 EIBDRO CCCCCn1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c(C)n1 ZINC000539041681 1038780333 /nfs/dbraw/zinc/78/03/33/1038780333.db2.gz OSLHGAKRUKZQKB-MRXNPFEDSA-N 1 0 344.459 4.449 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](c1cccnc1)C1CC1 ZINC000539048841 1038813970 /nfs/dbraw/zinc/81/39/70/1038813970.db2.gz FDNPYHFOMVYDHD-KUHUBIRLSA-N 1 0 325.412 4.052 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2CC)cc1[N+](=O)[O-] ZINC000504895248 1038841123 /nfs/dbraw/zinc/84/11/23/1038841123.db2.gz RXOKJGXDNCPGFF-CQSZACIVSA-N 1 0 328.412 4.407 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccccc1O ZINC000504917193 1038852793 /nfs/dbraw/zinc/85/27/93/1038852793.db2.gz BFNWCZXKFPCQSY-HNNXBMFYSA-N 1 0 346.452 4.003 20 5 EIBDRO Cc1cc(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000461976090 1038860558 /nfs/dbraw/zinc/86/05/58/1038860558.db2.gz ZRBBRCQQEIQRSO-INIZCTEOSA-N 1 0 345.374 4.171 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH+]2CCC3(CCCCC3)CC2)c2c(c1)COCO2 ZINC000608833584 1038915374 /nfs/dbraw/zinc/91/53/74/1038915374.db2.gz UIOQRPNSEABKLA-UHFFFAOYSA-N 1 0 346.427 4.008 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000539287373 1038933611 /nfs/dbraw/zinc/93/36/11/1038933611.db2.gz ULLBXWTUTMUTPW-UHFFFAOYSA-N 1 0 334.803 4.282 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCS[C@H](C)C1 ZINC000927026085 1038969828 /nfs/dbraw/zinc/96/98/28/1038969828.db2.gz DULQCRZCIOLITP-WOPDTQHZSA-N 1 0 326.487 4.251 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000089512741 1039065057 /nfs/dbraw/zinc/06/50/57/1039065057.db2.gz IJLVNYAAZCDDOP-GOSISDBHSA-N 1 0 338.407 4.087 20 5 EIBDRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534121139 1039120079 /nfs/dbraw/zinc/12/00/79/1039120079.db2.gz JXACGSOSAOVDPI-KGLIPLIRSA-N 1 0 329.400 4.260 20 5 EIBDRO CC(C)C1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000534124733 1039125805 /nfs/dbraw/zinc/12/58/05/1039125805.db2.gz SHPRDNKTAJOHCL-UHFFFAOYSA-N 1 0 329.400 4.118 20 5 EIBDRO C[N@@H+]1CC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000534270576 1039283479 /nfs/dbraw/zinc/28/34/79/1039283479.db2.gz BFTGSCCJZZWCRJ-OALUTQOASA-N 1 0 348.406 4.000 20 5 EIBDRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513820471 1039295764 /nfs/dbraw/zinc/29/57/64/1039295764.db2.gz PYANHCVJKVVILY-YQQAZPJKSA-N 1 0 334.460 4.099 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000513822894 1039303965 /nfs/dbraw/zinc/30/39/65/1039303965.db2.gz KRNUNKSVYPMXRA-TZMCWYRMSA-N 1 0 330.350 4.238 20 5 EIBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000481344016 1039327156 /nfs/dbraw/zinc/32/71/56/1039327156.db2.gz JKPYWXNAWNOUBN-ACJLOTCBSA-N 1 0 348.830 4.157 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000555590969 1039400358 /nfs/dbraw/zinc/40/03/58/1039400358.db2.gz QAFOIHHOIZXMNX-INIZCTEOSA-N 1 0 338.329 4.421 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000594519881 1039516978 /nfs/dbraw/zinc/51/69/78/1039516978.db2.gz MKXQIPFTNPACIV-GDBMZVCRSA-N 1 0 348.443 4.136 20 5 EIBDRO CCCC[C@@H](CC)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000514094499 1039600868 /nfs/dbraw/zinc/60/08/68/1039600868.db2.gz NMSVTCFISCNSHA-CRAIPNDOSA-N 1 0 344.459 4.224 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481691674 1039734503 /nfs/dbraw/zinc/73/45/03/1039734503.db2.gz HZAUUISFFIEQRE-MGPUTAFESA-N 1 0 338.407 4.177 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481691676 1039735878 /nfs/dbraw/zinc/73/58/78/1039735878.db2.gz HZAUUISFFIEQRE-QRWLVFNGSA-N 1 0 338.407 4.177 20 5 EIBDRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000551006314 1039867469 /nfs/dbraw/zinc/86/74/69/1039867469.db2.gz PLMZWKMOUKSCFZ-YQQAZPJKSA-N 1 0 348.443 4.148 20 5 EIBDRO CC[N+](C)(C)Cc1ccccc1NCc1cccc2c1OC(F)(F)O2 ZINC001168355359 1040081680 /nfs/dbraw/zinc/08/16/80/1040081680.db2.gz KBCUGRRMKNDQGA-UHFFFAOYSA-N 1 0 349.401 4.217 20 5 EIBDRO C[C@H]1c2cccn2CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000505664617 1040276710 /nfs/dbraw/zinc/27/67/10/1040276710.db2.gz SINWDFYMRWIVFW-AWEZNQCLSA-N 1 0 337.379 4.233 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C)Cc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000482514003 1040312524 /nfs/dbraw/zinc/31/25/24/1040312524.db2.gz SBYWMPLRKXIDMS-KUHUBIRLSA-N 1 0 328.412 4.362 20 5 EIBDRO CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCC1 ZINC000535526966 1040328703 /nfs/dbraw/zinc/32/87/03/1040328703.db2.gz YFUZSLLQOKRZNZ-UHFFFAOYSA-N 1 0 329.400 4.404 20 5 EIBDRO COCCC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000442779649 1040330207 /nfs/dbraw/zinc/33/02/07/1040330207.db2.gz MJZSFSPURMBWOS-LJQANCHMSA-N 1 0 346.402 4.034 20 5 EIBDRO CCOc1ccccc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192715879 1040337916 /nfs/dbraw/zinc/33/79/16/1040337916.db2.gz UUEOQHIFDUJJFB-SFHVURJKSA-N 1 0 326.396 4.161 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cccc(O)c3)s2)cc1 ZINC000171052506 1040381262 /nfs/dbraw/zinc/38/12/62/1040381262.db2.gz XVFYZKMCURIUSP-UHFFFAOYSA-N 1 0 340.404 4.319 20 5 EIBDRO CC(C)(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000482697727 1040436159 /nfs/dbraw/zinc/43/61/59/1040436159.db2.gz WFOMUSWDMBZWHX-UHFFFAOYSA-N 1 0 338.411 4.272 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOc2cccc(Cl)c2Cl)cc1 ZINC000539472134 1040461499 /nfs/dbraw/zinc/46/14/99/1040461499.db2.gz IOSDQVYRWCJRFZ-UHFFFAOYSA-N 1 0 341.194 4.070 20 5 EIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](CCC(C)C)C(C)(C)C ZINC000539490427 1040475868 /nfs/dbraw/zinc/47/58/68/1040475868.db2.gz AZQXJPCGEPJPPQ-INIZCTEOSA-N 1 0 349.475 4.282 20 5 EIBDRO COc1ccc(CC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000479574876 1040487049 /nfs/dbraw/zinc/48/70/49/1040487049.db2.gz BHVMWTXTAPCLCJ-UHFFFAOYSA-N 1 0 340.423 4.058 20 5 EIBDRO Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000443213141 1040745569 /nfs/dbraw/zinc/74/55/69/1040745569.db2.gz GHRPOSPOPJEOCD-QINHECLXSA-N 1 0 341.455 4.245 20 5 EIBDRO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515433313 1040759696 /nfs/dbraw/zinc/75/96/96/1040759696.db2.gz RIIQEPYDPBJLOE-MEDUHNTESA-N 1 0 330.359 4.081 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000480005886 1040847416 /nfs/dbraw/zinc/84/74/16/1040847416.db2.gz CYUGHSVOWADYSY-YJBOKZPZSA-N 1 0 334.460 4.402 20 5 EIBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)Oc2ccccc2F)cccc1[N+](=O)[O-] ZINC000483613521 1040911476 /nfs/dbraw/zinc/91/14/76/1040911476.db2.gz GMLWJNPEEHDZBK-JSGCOSHPSA-N 1 0 332.375 4.160 20 5 EIBDRO Cc1c(C[NH2+]C2CCC(c3ccc(O)cc3)CC2)cccc1[N+](=O)[O-] ZINC000483621664 1040916765 /nfs/dbraw/zinc/91/67/65/1040916765.db2.gz HYAHGMIJJCSOAL-UHFFFAOYSA-N 1 0 340.423 4.425 20 5 EIBDRO CCC[C@H]([NH2+][C@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000161033672 1040922423 /nfs/dbraw/zinc/92/24/23/1040922423.db2.gz HXXUGNAUZRTMOZ-RBUKOAKNSA-N 1 0 328.412 4.149 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000537991381 1040968039 /nfs/dbraw/zinc/96/80/39/1040968039.db2.gz NDJPWVPQFVBUIE-KGLIPLIRSA-N 1 0 344.411 4.414 20 5 EIBDRO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000483700135 1040968335 /nfs/dbraw/zinc/96/83/35/1040968335.db2.gz OTOKISHBZHRVCS-XPGWFJOJSA-N 1 0 340.423 4.474 20 5 EIBDRO CC(C)[C@H](CCO)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483718285 1040972806 /nfs/dbraw/zinc/97/28/06/1040972806.db2.gz AMZKXOQDDLAUFZ-HIFRSBDPSA-N 1 0 348.468 4.381 20 5 EIBDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483718289 1040974390 /nfs/dbraw/zinc/97/43/90/1040974390.db2.gz AMZKXOQDDLAUFZ-ZFWWWQNUSA-N 1 0 348.468 4.381 20 5 EIBDRO CC(C)[C@H](O)CC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483727520 1040997886 /nfs/dbraw/zinc/99/78/86/1040997886.db2.gz OJQSKQRTYBSZGB-CZUORRHYSA-N 1 0 348.468 4.381 20 5 EIBDRO Cc1c([C@@H](C)NCCC[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000480159296 1041015619 /nfs/dbraw/zinc/01/56/19/1041015619.db2.gz LHMYLERCCRGCSV-QGZVFWFLSA-N 1 0 341.455 4.076 20 5 EIBDRO CC(C)[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCOC1 ZINC000462878066 1041060356 /nfs/dbraw/zinc/06/03/56/1041060356.db2.gz QIDSZRYPWWSXTO-INIZCTEOSA-N 1 0 346.452 4.323 20 5 EIBDRO CCC[C@H]([NH2+]Cc1cc(OC)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000480268442 1041139437 /nfs/dbraw/zinc/13/94/37/1041139437.db2.gz UMVVAJVBZRCPPG-SFHVURJKSA-N 1 0 344.411 4.243 20 5 EIBDRO COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000540118220 1041143388 /nfs/dbraw/zinc/14/33/88/1041143388.db2.gz QKEDKQXOVPQKCG-KDOFPFPSSA-N 1 0 346.402 4.032 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000540159611 1041191467 /nfs/dbraw/zinc/19/14/67/1041191467.db2.gz AXQQMJLIGDZHHP-DGCLKSJQSA-N 1 0 328.359 4.222 20 5 EIBDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000540149488 1041198888 /nfs/dbraw/zinc/19/88/88/1041198888.db2.gz UUUXOVHLKPAONH-SWLSCSKDSA-N 1 0 346.452 4.399 20 5 EIBDRO COc1ccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000484502000 1041280883 /nfs/dbraw/zinc/28/08/83/1041280883.db2.gz JNIBJCIOFXPDOZ-LBPRGKRZSA-N 1 0 334.803 4.150 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000538408181 1041324253 /nfs/dbraw/zinc/32/42/53/1041324253.db2.gz BSJQVAQWHJXTJS-NJSLBKSFSA-N 1 0 346.402 4.469 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccncc2CC)cc1[N+](=O)[O-] ZINC000540315378 1041362211 /nfs/dbraw/zinc/36/22/11/1041362211.db2.gz DVJMEHRZUCPRLH-KBPBESRZSA-N 1 0 343.427 4.363 20 5 EIBDRO COc1ccccc1C[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470171269 1041440790 /nfs/dbraw/zinc/44/07/90/1041440790.db2.gz HMRFZGSSMACSRZ-PTNGSMBKSA-N 1 0 326.396 4.139 20 5 EIBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000540479629 1041483656 /nfs/dbraw/zinc/48/36/56/1041483656.db2.gz RMBUANLCOZAGAQ-LLVKDONJSA-N 1 0 338.766 4.117 20 5 EIBDRO COC(C)(C)C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000538828336 1041554405 /nfs/dbraw/zinc/55/44/05/1041554405.db2.gz YJBYQFNWMJLGOA-UHFFFAOYSA-N 1 0 334.441 4.180 20 5 EIBDRO CC(C)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])Oc1ccccc1 ZINC000540599819 1041554464 /nfs/dbraw/zinc/55/44/64/1041554464.db2.gz ZKSGYDDPQPIQQD-CSKARUKUSA-N 1 0 326.396 4.055 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000540620231 1041569450 /nfs/dbraw/zinc/56/94/50/1041569450.db2.gz HGNGWGBCPVTFSP-UHFFFAOYSA-N 1 0 347.827 4.190 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC3(CCCC3)C1)CCC2 ZINC000193028951 1041818231 /nfs/dbraw/zinc/81/82/31/1041818231.db2.gz FCDOQOAUJFVWJE-CRAIPNDOSA-N 1 0 330.428 4.054 20 5 EIBDRO CCc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516980107 1041829807 /nfs/dbraw/zinc/82/98/07/1041829807.db2.gz TVQSLMOIAXXTAU-QZTJIDSGSA-N 1 0 338.407 4.258 20 5 EIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000541602458 1042029802 /nfs/dbraw/zinc/02/98/02/1042029802.db2.gz CELHOMYJMRXCCK-CABCVRRESA-N 1 0 347.459 4.036 20 5 EIBDRO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000467366659 1042035977 /nfs/dbraw/zinc/03/59/77/1042035977.db2.gz WGLGBDWHTHDHKT-ROUUACIJSA-N 1 0 339.439 4.157 20 5 EIBDRO CC[NH+](CC)Cc1ccccc1CNc1cc(OC)ccc1[N+](=O)[O-] ZINC000517638062 1042112009 /nfs/dbraw/zinc/11/20/09/1042112009.db2.gz CMWCYSRNFRRADQ-UHFFFAOYSA-N 1 0 343.427 4.057 20 5 EIBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000464769630 1042149175 /nfs/dbraw/zinc/14/91/75/1042149175.db2.gz IJWFSTUJIRNXCK-ZIAGYGMSSA-N 1 0 328.865 4.354 20 5 EIBDRO CCc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000464786336 1042163162 /nfs/dbraw/zinc/16/31/62/1042163162.db2.gz WXTOXELAWGFTJV-UHFFFAOYSA-N 1 0 340.423 4.201 20 5 EIBDRO C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](c2ccco2)C1 ZINC000464850629 1042197550 /nfs/dbraw/zinc/19/75/50/1042197550.db2.gz IMVDIPQBGWXDER-PBHICJAKSA-N 1 0 330.384 4.040 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000271815516 1042411037 /nfs/dbraw/zinc/41/10/37/1042411037.db2.gz BIDKTMZRXRQIKC-PBQZTSCYSA-N 1 0 348.349 4.054 20 5 EIBDRO CC(C)[N@H+](C)CCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491356342 1042431350 /nfs/dbraw/zinc/43/13/50/1042431350.db2.gz LSZOCCPOIWCWPI-HXUWFJFHSA-N 1 0 341.455 4.004 20 5 EIBDRO CC(C)c1ccc(C[NH2+]CCOc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000518267944 1042441788 /nfs/dbraw/zinc/44/17/88/1042441788.db2.gz AIKNCJYWLABJPE-UHFFFAOYSA-N 1 0 332.375 4.026 20 5 EIBDRO COCCCC[N@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000052798110 1042449852 /nfs/dbraw/zinc/44/98/52/1042449852.db2.gz ZUCFNVIZMLUIIH-UHFFFAOYSA-N 1 0 328.412 4.024 20 5 EIBDRO CCC(CC)(C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)OC ZINC000492256314 1042595381 /nfs/dbraw/zinc/59/53/81/1042595381.db2.gz GMSGDCAQPCOSDP-UHFFFAOYSA-N 1 0 332.400 4.150 20 5 EIBDRO CCC(CC)(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)OC ZINC000492271182 1042599542 /nfs/dbraw/zinc/59/95/42/1042599542.db2.gz FQDTZJWPBOLNAW-UHFFFAOYSA-N 1 0 332.400 4.150 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cccc(Cl)c2Cl)cc1 ZINC000518818796 1042708883 /nfs/dbraw/zinc/70/88/83/1042708883.db2.gz RWDVIZKICGTRFL-UHFFFAOYSA-N 1 0 341.194 4.070 20 5 EIBDRO COc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000090468876 1042746509 /nfs/dbraw/zinc/74/65/09/1042746509.db2.gz SOWDJOLHWZEXNG-GFCCVEGCSA-N 1 0 334.803 4.416 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000090468877 1042747114 /nfs/dbraw/zinc/74/71/14/1042747114.db2.gz SOWDJOLHWZEXNG-LBPRGKRZSA-N 1 0 334.803 4.416 20 5 EIBDRO CCOc1cc(C[NH+]2CCC(c3ccsc3)CC2)ccc1[N+](=O)[O-] ZINC000492897072 1042765701 /nfs/dbraw/zinc/76/57/01/1042765701.db2.gz WVGSGTVUUJFTAB-UHFFFAOYSA-N 1 0 346.452 4.435 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000506721848 1042810007 /nfs/dbraw/zinc/81/00/07/1042810007.db2.gz JHGGQPLBDZZUMC-INIZCTEOSA-N 1 0 339.439 4.388 20 5 EIBDRO C[C@@H]1C[C@@H](C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000493104852 1042819806 /nfs/dbraw/zinc/81/98/06/1042819806.db2.gz OLQSWHBVYFPZJM-GQIGUUNPSA-N 1 0 340.423 4.089 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000441491061 1042841081 /nfs/dbraw/zinc/84/10/81/1042841081.db2.gz MRZCYMVVHIRTCB-ZWKOTPCHSA-N 1 0 345.487 4.244 20 5 EIBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H](O)c1ccc(C)cc1 ZINC000761512778 1042873740 /nfs/dbraw/zinc/87/37/40/1042873740.db2.gz WTEAOKUQKXFRRZ-SFHVURJKSA-N 1 0 348.830 4.112 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000152534914 1042890542 /nfs/dbraw/zinc/89/05/42/1042890542.db2.gz IUBGNLWNEFBXHQ-DLBZAZTESA-N 1 0 339.439 4.080 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000162561620 1043082245 /nfs/dbraw/zinc/08/22/45/1043082245.db2.gz MTCXOXATNKGNIC-UHFFFAOYSA-N 1 0 328.265 4.043 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc(Cl)s2)c(Cl)c1 ZINC000230141558 1043167230 /nfs/dbraw/zinc/16/72/30/1043167230.db2.gz ZBZWOROJHIXTBN-UHFFFAOYSA-N 1 0 331.224 4.295 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CC=CCC3)cs2)c1 ZINC000113329219 1043264266 /nfs/dbraw/zinc/26/42/66/1043264266.db2.gz QULNINLKQVFVKA-CYBMUJFWSA-N 1 0 329.425 4.164 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000133737124 1043299164 /nfs/dbraw/zinc/29/91/64/1043299164.db2.gz BFJNXQXYZGNCHW-MLGOLLRUSA-N 1 0 330.432 4.055 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1c(C)nn(C)c1C ZINC000133755155 1043300974 /nfs/dbraw/zinc/30/09/74/1043300974.db2.gz OFKXGVBLSMKHRI-MLGOLLRUSA-N 1 0 330.432 4.055 20 5 EIBDRO Cc1nc(C(C)(C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])sc1C ZINC000255192932 1043341104 /nfs/dbraw/zinc/34/11/04/1043341104.db2.gz OCBXINFGTLTYGL-CLFYSBASSA-N 1 0 331.441 4.206 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1ccnc(SC)c1)c1cccc([N+](=O)[O-])c1 ZINC000357848712 1043490865 /nfs/dbraw/zinc/49/08/65/1043490865.db2.gz IBLBSGCRQWRZAP-MRXNPFEDSA-N 1 0 331.441 4.343 20 5 EIBDRO COC1(C[C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC1 ZINC000494504461 1043504998 /nfs/dbraw/zinc/50/49/98/1043504998.db2.gz ITDIZXJGRZSHGS-LLVKDONJSA-N 1 0 346.349 4.051 20 5 EIBDRO COc1ccc([C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000172018247 1043703323 /nfs/dbraw/zinc/70/33/23/1043703323.db2.gz JAXINQXOFMYMDM-GOSISDBHSA-N 1 0 346.814 4.498 20 5 EIBDRO Cc1c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)cccc1[N+](=O)[O-] ZINC000438993670 1043741558 /nfs/dbraw/zinc/74/15/58/1043741558.db2.gz ACUJEQHOLGEVQH-GIPAHHNCSA-N 1 0 346.471 4.055 20 5 EIBDRO Cc1ccc(OC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cc1C ZINC000521425892 1043766244 /nfs/dbraw/zinc/76/62/44/1043766244.db2.gz QKIYBTOHUXJFRK-UHFFFAOYSA-N 1 0 340.423 4.255 20 5 EIBDRO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)[C@H]1c1ccccc1 ZINC000301854521 1043818063 /nfs/dbraw/zinc/81/80/63/1043818063.db2.gz YITFKBCLZGQXKC-UYAOXDASSA-N 1 0 348.406 4.000 20 5 EIBDRO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)[C@H]1c1ccccc1 ZINC000301854514 1043818998 /nfs/dbraw/zinc/81/89/98/1043818998.db2.gz YITFKBCLZGQXKC-AZUAARDMSA-N 1 0 348.406 4.000 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)C1CC1 ZINC000442809863 1043852917 /nfs/dbraw/zinc/85/29/17/1043852917.db2.gz LVFGMLMLXXFNJA-FQEVSTJZSA-N 1 0 349.434 4.230 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)cc1[N+](=O)[O-] ZINC000442878737 1043879702 /nfs/dbraw/zinc/87/97/02/1043879702.db2.gz UOXCROHUZPSFTJ-UKRRQHHQSA-N 1 0 335.407 4.203 20 5 EIBDRO CC(C)C[C@@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000245493712 1043940470 /nfs/dbraw/zinc/94/04/70/1043940470.db2.gz MBISVYMQXASIIU-KGLIPLIRSA-N 1 0 344.415 4.074 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccccc1OCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000173435105 1043967278 /nfs/dbraw/zinc/96/72/78/1043967278.db2.gz LMKITOGEIPJIDE-CQSZACIVSA-N 1 0 326.396 4.234 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000245573733 1043996994 /nfs/dbraw/zinc/99/69/94/1043996994.db2.gz ZZJPTLQSCURFNP-RLFYNMQTSA-N 1 0 325.412 4.052 20 5 EIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000040675876 1043999379 /nfs/dbraw/zinc/99/93/79/1043999379.db2.gz IDIJOYPGZQFRSI-GFCCVEGCSA-N 1 0 349.228 4.251 20 5 EIBDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000732979013 1044056588 /nfs/dbraw/zinc/05/65/88/1044056588.db2.gz BNDWFXQXTJRTQY-IBGZPJMESA-N 1 0 338.411 4.231 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000245891817 1044204196 /nfs/dbraw/zinc/20/41/96/1044204196.db2.gz MIAMRJJHBPZMEL-NBHSMZAVSA-N 1 0 348.349 4.054 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000246061834 1044231149 /nfs/dbraw/zinc/23/11/49/1044231149.db2.gz RHOPVCBVFMAQFE-RZAIGCCYSA-N 1 0 346.814 4.429 20 5 EIBDRO CC(C)(CO)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000174426284 1044271842 /nfs/dbraw/zinc/27/18/42/1044271842.db2.gz ZXQIVJQYLUSEGQ-UHFFFAOYSA-N 1 0 348.468 4.212 20 5 EIBDRO C[C@H]([NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000246578620 1044333085 /nfs/dbraw/zinc/33/30/85/1044333085.db2.gz YNRWAXUZDSYPLL-RZQQEMMASA-N 1 0 340.423 4.413 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000543426790 1044576362 /nfs/dbraw/zinc/57/63/62/1044576362.db2.gz ZWKZLMBINTWXIX-GFCCVEGCSA-N 1 0 346.452 4.395 20 5 EIBDRO CCCC[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCC1 ZINC000543454707 1044636880 /nfs/dbraw/zinc/63/68/80/1044636880.db2.gz IKXWKVFKPOUOHL-KRWDZBQOSA-N 1 0 347.459 4.180 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000193161126 1044657049 /nfs/dbraw/zinc/65/70/49/1044657049.db2.gz TZEHSUNUCFDYDL-OAHLLOKOSA-N 1 0 347.212 4.134 20 5 EIBDRO COc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c2ccccc12 ZINC000327553854 1044715600 /nfs/dbraw/zinc/71/56/00/1044715600.db2.gz VIQAPWTZNJEBDQ-UHFFFAOYSA-N 1 0 336.391 4.355 20 5 EIBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2c3ccccc3cc3ccccc32)C1 ZINC000092101059 1044727593 /nfs/dbraw/zinc/72/75/93/1044727593.db2.gz MUUNUDXNZYBGEE-SFHVURJKSA-N 1 0 346.474 4.293 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2OC)cc1[N+](=O)[O-] ZINC000154228141 1044743890 /nfs/dbraw/zinc/74/38/90/1044743890.db2.gz NPEJGRFMTUDQSI-AWEZNQCLSA-N 1 0 344.411 4.161 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3cccs3)CC2)cc1[N+](=O)[O-] ZINC000168426745 1044844701 /nfs/dbraw/zinc/84/47/01/1044844701.db2.gz ICVONUGDVINDLB-CQSZACIVSA-N 1 0 345.468 4.284 20 5 EIBDRO C[C@@H](CCOCc1ccccc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000389939595 1044846824 /nfs/dbraw/zinc/84/68/24/1044846824.db2.gz MBSXJIBCTMJJID-HOTGVXAUSA-N 1 0 328.412 4.241 20 5 EIBDRO C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000154960699 1044851255 /nfs/dbraw/zinc/85/12/55/1044851255.db2.gz QUCHUVHGIOKEIE-YJBOKZPZSA-N 1 0 343.427 4.066 20 5 EIBDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000093838968 1044857908 /nfs/dbraw/zinc/85/79/08/1044857908.db2.gz QVGYGFDFNZHDMJ-CQSZACIVSA-N 1 0 346.452 4.182 20 5 EIBDRO Cc1nc(CCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)sc1C ZINC000302076433 1045159325 /nfs/dbraw/zinc/15/93/25/1045159325.db2.gz JJJUNMWOLPMAEQ-UHFFFAOYSA-N 1 0 342.424 4.179 20 5 EIBDRO Cc1cnc([C@H](C)CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)s1 ZINC000302149263 1045164476 /nfs/dbraw/zinc/16/44/76/1045164476.db2.gz SPALXLIWURAOBO-SNVBAGLBSA-N 1 0 342.424 4.432 20 5 EIBDRO Cc1cc(N2CC[C@@H](Nc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302209799 1045168310 /nfs/dbraw/zinc/16/83/10/1045168310.db2.gz YEZBYAKWDCUNII-MRXNPFEDSA-N 1 0 348.406 4.142 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000131370886 1045195844 /nfs/dbraw/zinc/19/58/44/1045195844.db2.gz GISPJHNUTVXHPM-SFHVURJKSA-N 1 0 341.411 4.020 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1OC ZINC000915228705 1045198758 /nfs/dbraw/zinc/19/87/58/1045198758.db2.gz UVAFKURRKNSYNA-OAHLLOKOSA-N 1 0 334.803 4.498 20 5 EIBDRO CC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@@H]1CCOC1 ZINC000611256749 1045267987 /nfs/dbraw/zinc/26/79/87/1045267987.db2.gz WHADQWQJTNNKIH-AWEZNQCLSA-N 1 0 346.452 4.182 20 5 EIBDRO CC(C)c1ccc(C[NH+]2CCC(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000611265374 1045269597 /nfs/dbraw/zinc/26/95/97/1045269597.db2.gz BETUTESXTNOSDR-UHFFFAOYSA-N 1 0 339.439 4.493 20 5 EIBDRO CC(C)OCCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611272457 1045271054 /nfs/dbraw/zinc/27/10/54/1045271054.db2.gz SILVVQQFJYWGOZ-UHFFFAOYSA-N 1 0 332.400 4.102 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000611470314 1045314774 /nfs/dbraw/zinc/31/47/74/1045314774.db2.gz XMMZUJLPJVYFGU-RYUDHWBXSA-N 1 0 334.441 4.133 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2CCC(F)(F)C2)c2ccccc2)c1 ZINC000611521621 1045319454 /nfs/dbraw/zinc/31/94/54/1045319454.db2.gz JTQZXFLEJLCMRB-DOTOQJQBSA-N 1 0 332.350 4.462 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1cccc([N+](=O)[O-])c1 ZINC000193901221 1045538956 /nfs/dbraw/zinc/53/89/56/1045538956.db2.gz KHUBLVLFPMAGAD-KBPBESRZSA-N 1 0 342.395 4.168 20 5 EIBDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000193901662 1045539656 /nfs/dbraw/zinc/53/96/56/1045539656.db2.gz WVBYCGWVTOBQKV-YJYMSZOUSA-N 1 0 326.396 4.332 20 5 EIBDRO COCc1cc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccc1OC ZINC000193902328 1045539936 /nfs/dbraw/zinc/53/99/36/1045539936.db2.gz AMGQNHSCFJOKEM-KGLIPLIRSA-N 1 0 344.411 4.162 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1ccco1 ZINC000768092321 1045709402 /nfs/dbraw/zinc/70/94/02/1045709402.db2.gz XJIVRXNTBVLIBZ-UONOGXRCSA-N 1 0 334.441 4.279 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccccc1-n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000194374968 1045728721 /nfs/dbraw/zinc/72/87/21/1045728721.db2.gz CURCYBIRFPMGEY-GOSISDBHSA-N 1 0 336.395 4.021 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001170296941 1045983174 /nfs/dbraw/zinc/98/31/74/1045983174.db2.gz IKGYGPBDIGLAML-FZKQIMNGSA-N 1 0 346.402 4.414 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1c[nH]c2ccc(Cl)cc12 ZINC000237832209 1045993434 /nfs/dbraw/zinc/99/34/34/1045993434.db2.gz XYMCQTICNDNNQU-UHFFFAOYSA-N 1 0 329.787 4.062 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]C2(c3ccccc3)CCC2)c([N+](=O)[O-])c1 ZINC001170313061 1045994334 /nfs/dbraw/zinc/99/43/34/1045994334.db2.gz JXUPNBNMCJNJTF-HNNXBMFYSA-N 1 0 340.423 4.203 20 5 EIBDRO COc1ccc(C[C@@H](C)[N@H+](Cc2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC001170353393 1046010473 /nfs/dbraw/zinc/01/04/73/1046010473.db2.gz XRAOUSIKHSFEEM-OAHLLOKOSA-N 1 0 340.423 4.199 20 5 EIBDRO CC[N@H+](Cc1cccc(F)c1)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170352029 1046024373 /nfs/dbraw/zinc/02/43/73/1046024373.db2.gz JWBCAQFYKNNDEF-CQSZACIVSA-N 1 0 346.402 4.196 20 5 EIBDRO COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000121914647 1046056875 /nfs/dbraw/zinc/05/68/75/1046056875.db2.gz XUPHZKVTDUFCFY-SUMWQHHRSA-N 1 0 326.396 4.250 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792907967 1046102616 /nfs/dbraw/zinc/10/26/16/1046102616.db2.gz QJMQQUGMBHVCOH-GLQYFDAESA-N 1 0 343.254 4.480 20 5 EIBDRO Cc1c(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)cccc1[N+](=O)[O-] ZINC000917054509 1046582317 /nfs/dbraw/zinc/58/23/17/1046582317.db2.gz OKTMOSWJOGUFKR-LJQANCHMSA-N 1 0 325.412 4.416 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(C(F)F)CC2)o1 ZINC000536679808 1046646119 /nfs/dbraw/zinc/64/61/19/1046646119.db2.gz POAKQJRMSUKANT-UHFFFAOYSA-N 1 0 336.338 4.332 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000127500617 1046685014 /nfs/dbraw/zinc/68/50/14/1046685014.db2.gz WZRYPLJVYXWPCL-JKSUJKDBSA-N 1 0 332.444 4.436 20 5 EIBDRO Cc1c(C[NH2+]CCCO[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000917134488 1046763701 /nfs/dbraw/zinc/76/37/01/1046763701.db2.gz WPTIEDMQTTUGLC-INIZCTEOSA-N 1 0 328.412 4.161 20 5 EIBDRO COCCC1(C)C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000459631347 1046821689 /nfs/dbraw/zinc/82/16/89/1046821689.db2.gz LCJCQVUTXVQDLQ-UHFFFAOYSA-N 1 0 346.452 4.182 20 5 EIBDRO C[C@@H](CCCc1cccnc1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000459644715 1046832653 /nfs/dbraw/zinc/83/26/53/1046832653.db2.gz FQOMFIWUXCZYQQ-RFKZRZAASA-N 1 0 325.412 4.004 20 5 EIBDRO CCOc1cc(C[NH2+][C@H](C)c2cc(C)ccc2OC)ccc1[N+](=O)[O-] ZINC000459671501 1046852063 /nfs/dbraw/zinc/85/20/63/1046852063.db2.gz WFZLTYMYRAMFBJ-CQSZACIVSA-N 1 0 344.411 4.161 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000786819937 1046874948 /nfs/dbraw/zinc/87/49/48/1046874948.db2.gz GAGMNGLTCCVYKR-CKDIWJPDSA-N 1 0 343.452 4.430 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC1 ZINC000459792207 1046891493 /nfs/dbraw/zinc/89/14/93/1046891493.db2.gz IKUKCYZMXQZXNG-QGZVFWFLSA-N 1 0 329.400 4.308 20 5 EIBDRO CC[C@H](C)[N@@H+](Cc1ccccc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000917455133 1046895310 /nfs/dbraw/zinc/89/53/10/1046895310.db2.gz RFJXJOIJSAMFRL-HNNXBMFYSA-N 1 0 338.411 4.203 20 5 EIBDRO CCCO[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746666796 1046974359 /nfs/dbraw/zinc/97/43/59/1046974359.db2.gz VJTPIILGSKYUQH-OAHLLOKOSA-N 1 0 326.824 4.029 20 5 EIBDRO Cc1cccc([C@H]2CCC[N@@H+]2Cn2ncc3ccc([N+](=O)[O-])cc32)c1 ZINC000917617531 1047027965 /nfs/dbraw/zinc/02/79/65/1047027965.db2.gz JVZZIYXFNANIAW-GOSISDBHSA-N 1 0 336.395 4.048 20 5 EIBDRO CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788525925 1047229057 /nfs/dbraw/zinc/22/90/57/1047229057.db2.gz GTHMPSAUBICWIL-UONOGXRCSA-N 1 0 343.427 4.376 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788643948 1047245702 /nfs/dbraw/zinc/24/57/02/1047245702.db2.gz QZGZLIVQFBTLHW-QLJPJBMISA-N 1 0 331.803 4.169 20 5 EIBDRO CC[C@H]([NH2+][C@H](C(C)C)[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000788625259 1047253560 /nfs/dbraw/zinc/25/35/60/1047253560.db2.gz ZPSXIJOHWXMGDJ-XUVXKRRUSA-N 1 0 342.439 4.394 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H](C(C)C)[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000788627728 1047255481 /nfs/dbraw/zinc/25/54/81/1047255481.db2.gz QHIBWDRRBOEPOO-RYGJVYDSSA-N 1 0 342.439 4.312 20 5 EIBDRO CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000152542416 1047259022 /nfs/dbraw/zinc/25/90/22/1047259022.db2.gz NNMWXLYSGWJLDD-OXJNMPFZSA-N 1 0 339.439 4.162 20 5 EIBDRO C[C@H]([NH2+]CCCSc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788653903 1047266053 /nfs/dbraw/zinc/26/60/53/1047266053.db2.gz ZOYMZPUQCMGOAE-ZDUSSCGKSA-N 1 0 331.441 4.010 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccc(Cl)nc32)cc1[N+](=O)[O-] ZINC000788666725 1047268805 /nfs/dbraw/zinc/26/88/05/1047268805.db2.gz SGHAJVBARPGHQV-BXUZGUMPSA-N 1 0 331.803 4.290 20 5 EIBDRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788736369 1047296111 /nfs/dbraw/zinc/29/61/11/1047296111.db2.gz USTPVYKDAIMEKR-QHRIQVFBSA-N 1 0 325.412 4.151 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(C2CCC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788780527 1047315211 /nfs/dbraw/zinc/31/52/11/1047315211.db2.gz DVFXNNDPCZEMKX-ZDUSSCGKSA-N 1 0 325.412 4.295 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(O)c1 ZINC000105461282 1047631534 /nfs/dbraw/zinc/63/15/34/1047631534.db2.gz KJCHIYZHGFLBRY-ZDUSSCGKSA-N 1 0 338.363 4.411 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000609287645 1047692442 /nfs/dbraw/zinc/69/24/42/1047692442.db2.gz IDYMPSIMOFMHDT-MSOLQXFVSA-N 1 0 340.423 4.419 20 5 EIBDRO CC[NH+](CC)C[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000302298835 1047866593 /nfs/dbraw/zinc/86/65/93/1047866593.db2.gz PHQWXUVEQZJKOZ-LLVKDONJSA-N 1 0 346.258 4.070 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852853 1047881656 /nfs/dbraw/zinc/88/16/56/1047881656.db2.gz HCIOONDONFYMFB-ROUUACIJSA-N 1 0 345.487 4.100 20 5 EIBDRO COc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OC ZINC000194990777 1047895239 /nfs/dbraw/zinc/89/52/39/1047895239.db2.gz JEAMXIJDNFAUHZ-UHFFFAOYSA-N 1 0 344.411 4.023 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000824773170 1047926104 /nfs/dbraw/zinc/92/61/04/1047926104.db2.gz JVLMHBXEIBMQJZ-KGBIHWOQSA-N 1 0 329.227 4.172 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000824773347 1047928089 /nfs/dbraw/zinc/92/80/89/1047928089.db2.gz KEFKJKCLDWTTPN-FZMZJTMJSA-N 1 0 331.243 4.089 20 5 EIBDRO C[C@]1(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000824968212 1048013187 /nfs/dbraw/zinc/01/31/87/1048013187.db2.gz BGSLPMPRTRJKSC-SDQPKGBYSA-N 1 0 329.227 4.172 20 5 EIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccnc1Cl ZINC000808728597 1048074682 /nfs/dbraw/zinc/07/46/82/1048074682.db2.gz QBMXVYWCXOFVEC-LLVKDONJSA-N 1 0 344.802 4.018 20 5 EIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccnc(Cl)c1 ZINC000808727418 1048074975 /nfs/dbraw/zinc/07/49/75/1048074975.db2.gz DZZFBZQMYMEKHY-LLVKDONJSA-N 1 0 344.802 4.018 20 5 EIBDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000808761315 1048088526 /nfs/dbraw/zinc/08/85/26/1048088526.db2.gz LQAKPTNLPTZTJH-QGZVFWFLSA-N 1 0 332.375 4.326 20 5 EIBDRO C[C@H](N[C@H](c1ccccc1)c1ccncc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815565821 1048512311 /nfs/dbraw/zinc/51/23/11/1048512311.db2.gz BEQRFFGYPOEBML-VBKZILBWSA-N 1 0 348.406 4.012 20 5 EIBDRO COc1ccc([C@@H](C)CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000815583349 1048521217 /nfs/dbraw/zinc/52/12/17/1048521217.db2.gz CYLFYLWBYQJHRO-KBPBESRZSA-N 1 0 343.427 4.030 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815630655 1048554460 /nfs/dbraw/zinc/55/44/60/1048554460.db2.gz RBLQATMVYOYWME-DYVFJYSZSA-N 1 0 325.412 4.021 20 5 EIBDRO C[C@@](Cc1ccccc1)([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC001171156750 1048558641 /nfs/dbraw/zinc/55/86/41/1048558641.db2.gz OJMWDDFFYFBMOC-NRFANRHFSA-N 1 0 347.418 4.238 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)s1 ZINC000846113536 1048815957 /nfs/dbraw/zinc/81/59/57/1048815957.db2.gz YLFHCJXOEZLYLO-BETUJISGSA-N 1 0 336.363 4.020 20 5 EIBDRO C[C@]1(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@]1(F)Cl ZINC000846182291 1048836191 /nfs/dbraw/zinc/83/61/91/1048836191.db2.gz BIXGFVXQPTUQAI-XIRDDKMYSA-N 1 0 340.826 4.210 20 5 EIBDRO CCC(CC)(CNc1cccnc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000609513062 1049125503 /nfs/dbraw/zinc/12/55/03/1049125503.db2.gz NPZGKQXDMSWCCP-HNNXBMFYSA-N 1 0 342.443 4.311 20 5 EIBDRO CC(C)C[C@@H](CNc1cccnc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000609513152 1049126445 /nfs/dbraw/zinc/12/64/45/1049126445.db2.gz DVXIAYPCIIKHOK-RDJZCZTQSA-N 1 0 342.443 4.167 20 5 EIBDRO CC[NH+](CC)Cc1ccccc1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000609890870 1049383384 /nfs/dbraw/zinc/38/33/84/1049383384.db2.gz XGQYWQCHNZBXRG-UHFFFAOYSA-N 1 0 348.834 4.097 20 5 EIBDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000609902142 1049389763 /nfs/dbraw/zinc/38/97/63/1049389763.db2.gz KUZZEDPUCWOPJY-ACJLOTCBSA-N 1 0 348.830 4.422 20 5 EIBDRO COc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000610004212 1049477342 /nfs/dbraw/zinc/47/73/42/1049477342.db2.gz FTCHWZFRDANJAW-GOEBONIOSA-N 1 0 326.396 4.154 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000067962411 1049670771 /nfs/dbraw/zinc/67/07/71/1049670771.db2.gz JUBZIBYMDPBRMJ-YWZLYKJASA-N 1 0 340.423 4.101 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000615721957 1049764934 /nfs/dbraw/zinc/76/49/34/1049764934.db2.gz PDAIFCPDKQUJDJ-RXBGNRNISA-N 1 0 332.444 4.183 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC(OC(C)C)CC1 ZINC000615726100 1049766329 /nfs/dbraw/zinc/76/63/29/1049766329.db2.gz SZOGCFPUKNCNEU-RVDMUPIBSA-N 1 0 332.444 4.324 20 5 EIBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(C)(C)CC(C)(C)C1 ZINC001171882265 1049815572 /nfs/dbraw/zinc/81/55/72/1049815572.db2.gz NFKNVOQTEICEBF-AWEZNQCLSA-N 1 0 347.459 4.070 20 5 EIBDRO C[C@@H]1CCC[C@H]([N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000170909070 1050105849 /nfs/dbraw/zinc/10/58/49/1050105849.db2.gz XVUNWWJJTOHDPM-ZBFHGGJFSA-N 1 0 343.427 4.303 20 5 EIBDRO [NH3+]Cc1ccc2c(ccn2[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172897139 1050202035 /nfs/dbraw/zinc/20/20/35/1050202035.db2.gz XMPCRFFEQJCKTC-SFHVURJKSA-N 1 0 335.407 4.128 20 5 EIBDRO Cc1ccc(F)cc1C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898176 1050203268 /nfs/dbraw/zinc/20/32/68/1050203268.db2.gz HKCFFOYBXUJLNF-GOSISDBHSA-N 1 0 328.387 4.080 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1(Cc3ccccc3)CC1)CC2 ZINC001172899955 1050203860 /nfs/dbraw/zinc/20/38/60/1050203860.db2.gz QJDKROHVGVVWPT-LJQANCHMSA-N 1 0 336.435 4.207 20 5 EIBDRO Cc1cc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)ccc1F ZINC001172900576 1050204928 /nfs/dbraw/zinc/20/49/28/1050204928.db2.gz VYRGMWSZKJBPAX-QGZVFWFLSA-N 1 0 328.387 4.080 20 5 EIBDRO CCC[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccncc1 ZINC001172904315 1050205252 /nfs/dbraw/zinc/20/52/52/1050205252.db2.gz WYBGUAWQLWGPSJ-QUCCMNQESA-N 1 0 339.439 4.368 20 5 EIBDRO CC(C)(C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)CC(F)(F)F ZINC001172900431 1050205326 /nfs/dbraw/zinc/20/53/26/1050205326.db2.gz DPUCCZYIQAFAPB-AWEZNQCLSA-N 1 0 344.377 4.410 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1csc(Cl)c1)CC2 ZINC001172904271 1050205493 /nfs/dbraw/zinc/20/54/93/1050205493.db2.gz WCSHZBDGUVZQIH-AWEZNQCLSA-N 1 0 336.844 4.347 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1(c3ccccc3F)CC1)CC2 ZINC001172901755 1050205704 /nfs/dbraw/zinc/20/57/04/1050205704.db2.gz KQFMESALRBSDNW-MRXNPFEDSA-N 1 0 340.398 4.260 20 5 EIBDRO Cc1c(F)cccc1C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901906 1050205796 /nfs/dbraw/zinc/20/57/96/1050205796.db2.gz RIGPIRAXJSGLNY-QGZVFWFLSA-N 1 0 328.387 4.080 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCc3sccc31)CC2 ZINC001172908659 1050207376 /nfs/dbraw/zinc/20/73/76/1050207376.db2.gz YGYQTLWTJKBJNH-YOEHRIQHSA-N 1 0 328.437 4.181 20 5 EIBDRO CC(C)[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccnc1 ZINC001172908904 1050207837 /nfs/dbraw/zinc/20/78/37/1050207837.db2.gz BIICCQNZBMFNKU-AZUAARDMSA-N 1 0 339.439 4.224 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@H]1c1nccs1)CC2 ZINC001172920986 1050232993 /nfs/dbraw/zinc/23/29/93/1050232993.db2.gz NFEHZQREECSRBT-NVXWUHKLSA-N 1 0 343.452 4.136 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@@H]3C[C@H](C1)c1ccccc13)CC2 ZINC001172921663 1050233883 /nfs/dbraw/zinc/23/38/83/1050233883.db2.gz QKWMUJQAVXBPKO-OTWHNJEPSA-N 1 0 348.446 4.429 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2)c1F ZINC001173176630 1050335173 /nfs/dbraw/zinc/33/51/73/1050335173.db2.gz KZKBEYBDQYWZAP-ZIAGYGMSSA-N 1 0 346.402 4.333 20 5 EIBDRO CCCCO[C@@H]1C[C@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1(C)C ZINC001177967832 1050335578 /nfs/dbraw/zinc/33/55/78/1050335578.db2.gz QKSJPOODFMXLGU-ZWKOTPCHSA-N 1 0 334.460 4.285 20 5 EIBDRO CCC(CC)[N@H+](CC)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194826 1050339905 /nfs/dbraw/zinc/33/99/05/1050339905.db2.gz AMHXLIGPCLNSQT-GFCCVEGCSA-N 1 0 326.412 4.184 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](CC3CC3)c3ccccc3)nc2c1 ZINC000618302229 1050340210 /nfs/dbraw/zinc/34/02/10/1050340210.db2.gz ILEOHVNPENYVIK-KRWDZBQOSA-N 1 0 336.395 4.102 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC001173215687 1050350010 /nfs/dbraw/zinc/35/00/10/1050350010.db2.gz YORYMHQDEYSZCS-IERDGZPVSA-N 1 0 347.418 4.300 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC001173217006 1050350274 /nfs/dbraw/zinc/35/02/74/1050350274.db2.gz OSIZKQZVJFFPIF-ZDUSSCGKSA-N 1 0 330.815 4.458 20 5 EIBDRO Cc1c(CC[NH3+])c2ccccc2n1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215538 1050350326 /nfs/dbraw/zinc/35/03/26/1050350326.db2.gz WPLGOEPZCJRIIS-AWEZNQCLSA-N 1 0 337.423 4.163 20 5 EIBDRO CC(=O)c1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173217838 1050351398 /nfs/dbraw/zinc/35/13/98/1050351398.db2.gz GQELQDTWRJUVQC-KBPBESRZSA-N 1 0 326.396 4.079 20 5 EIBDRO CCO[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000775029164 1050355160 /nfs/dbraw/zinc/35/51/60/1050355160.db2.gz XFSZLAJQASHYJD-QGZVFWFLSA-N 1 0 334.803 4.116 20 5 EIBDRO Cc1cccc(Cl)c1C(=[NH2+])N[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229655 1050356647 /nfs/dbraw/zinc/35/66/47/1050356647.db2.gz OQFRKTFJMZFRRG-LBPRGKRZSA-N 1 0 331.803 4.103 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001173227221 1050356861 /nfs/dbraw/zinc/35/68/61/1050356861.db2.gz ONRWLOUFZFGPOI-GOEBONIOSA-N 1 0 328.387 4.154 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1ncccc1Cl)C1CC1 ZINC001173229301 1050357163 /nfs/dbraw/zinc/35/71/63/1050357163.db2.gz MJOPMCGWVATFPZ-YVEFUNNKSA-N 1 0 345.830 4.315 20 5 EIBDRO COc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173228974 1050357390 /nfs/dbraw/zinc/35/73/90/1050357390.db2.gz OWXKJYJRCFVPIA-NVXWUHKLSA-N 1 0 340.423 4.024 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1cccnc1Cl)C1CC1 ZINC001173230043 1050357750 /nfs/dbraw/zinc/35/77/50/1050357750.db2.gz PZRYLLFGENPPOI-SJCJKPOMSA-N 1 0 345.830 4.315 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1ncccc1Cl)C1CC1 ZINC001173229299 1050358043 /nfs/dbraw/zinc/35/80/43/1050358043.db2.gz MJOPMCGWVATFPZ-SJCJKPOMSA-N 1 0 345.830 4.315 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(Cl)c(F)cc1F ZINC001173232137 1050359191 /nfs/dbraw/zinc/35/91/91/1050359191.db2.gz CZNHEXNXJAYUOA-JTQLQIEISA-N 1 0 340.757 4.247 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC001173232487 1050359481 /nfs/dbraw/zinc/35/94/81/1050359481.db2.gz HDMAFBPUABBXFR-CYBMUJFWSA-N 1 0 330.815 4.238 20 5 EIBDRO COc1cccc([C@@H]2CCC[N@@H+]2[C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173234801 1050361380 /nfs/dbraw/zinc/36/13/80/1050361380.db2.gz UEQFQWHXKYFOEF-QRWLVFNGSA-N 1 0 340.423 4.372 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1ccc(Cl)cc1 ZINC001173235714 1050362245 /nfs/dbraw/zinc/36/22/45/1050362245.db2.gz YTVWIIRGFACHKY-CQSZACIVSA-N 1 0 332.831 4.354 20 5 EIBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173235780 1050362500 /nfs/dbraw/zinc/36/25/00/1050362500.db2.gz UWQQDXLBYBNXFA-DNVCBOLYSA-N 1 0 339.439 4.134 20 5 EIBDRO CCCC[N@H+](C)C[C@H](C)Nc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001186626879 1050370008 /nfs/dbraw/zinc/37/00/08/1050370008.db2.gz KTTZQWBVBWRZTR-NSHDSACASA-N 1 0 333.354 4.146 20 5 EIBDRO CC1(C)CCC[N@@H+]1CCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001186681659 1050399614 /nfs/dbraw/zinc/39/96/14/1050399614.db2.gz VSKHHAJGXPXIGN-UHFFFAOYSA-N 1 0 332.231 4.188 20 5 EIBDRO COc1ccc([C@@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C(C)C)cc1 ZINC000182050698 1050436249 /nfs/dbraw/zinc/43/62/49/1050436249.db2.gz VCJLUOJOPGUZFA-SFHVURJKSA-N 1 0 332.375 4.229 20 5 EIBDRO Cc1c(C[NH2+]C2(CCOCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC001178398533 1050450930 /nfs/dbraw/zinc/45/09/30/1050450930.db2.gz RDHKGMSZQZKWAR-UHFFFAOYSA-N 1 0 340.423 4.132 20 5 EIBDRO Cc1ncc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000618798249 1050530741 /nfs/dbraw/zinc/53/07/41/1050530741.db2.gz GJYVXWDZZIOJIX-QMMMGPOBSA-N 1 0 345.346 4.229 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H](O)C(C)C ZINC001178959476 1050596186 /nfs/dbraw/zinc/59/61/86/1050596186.db2.gz XMIUVNVEOHSPKV-QAPCUYQASA-N 1 0 348.468 4.208 20 5 EIBDRO CCC[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC001178954923 1050596289 /nfs/dbraw/zinc/59/62/89/1050596289.db2.gz WUJOHBRZDPIPHO-KGLIPLIRSA-N 1 0 336.432 4.005 20 5 EIBDRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618984237 1050612077 /nfs/dbraw/zinc/61/20/77/1050612077.db2.gz ALLLLDVHVUISSR-HWPZZCPQSA-N 1 0 329.400 4.273 20 5 EIBDRO COc1c(Cl)cccc1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC001179685248 1050747949 /nfs/dbraw/zinc/74/79/49/1050747949.db2.gz IAYDRCTYDPWDBW-UKTHLTGXSA-N 1 0 346.814 4.450 20 5 EIBDRO CNC(=O)c1cccc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)c1 ZINC001174142137 1050784622 /nfs/dbraw/zinc/78/46/22/1050784622.db2.gz PBUOAIACLQAZMF-UHFFFAOYSA-N 1 0 342.402 4.073 20 5 EIBDRO C[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C(C1CC1)C1CC1 ZINC001180006692 1050853424 /nfs/dbraw/zinc/85/34/24/1050853424.db2.gz JPPMTVCYUUYUDU-UHFFFAOYSA-N 1 0 345.262 4.039 20 5 EIBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCC23CCOCC3)c2cc([N+](=O)[O-])ccc21 ZINC000619724543 1050872967 /nfs/dbraw/zinc/87/29/67/1050872967.db2.gz NGPWQFYSHSSZQR-QZTJIDSGSA-N 1 0 344.455 4.256 20 5 EIBDRO C[C@@H](C1CC1)[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC001180178006 1050894963 /nfs/dbraw/zinc/89/49/63/1050894963.db2.gz LBWGWYADEXOAMY-QMMMGPOBSA-N 1 0 345.262 4.182 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)c(F)c1 ZINC001180185522 1050897607 /nfs/dbraw/zinc/89/76/07/1050897607.db2.gz ZRWUYJRQSLLOLJ-QGZVFWFLSA-N 1 0 346.377 4.470 20 5 EIBDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC001180392499 1050976543 /nfs/dbraw/zinc/97/65/43/1050976543.db2.gz FPRADFOEGBMSFJ-VHSXEESVSA-N 1 0 347.278 4.429 20 5 EIBDRO CNC(=O)c1ccc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cc1 ZINC001174512196 1051044458 /nfs/dbraw/zinc/04/44/58/1051044458.db2.gz MRPANHSRDGRVIT-UHFFFAOYSA-N 1 0 342.402 4.073 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCc1ccccc1)CC(C)C ZINC001190549826 1051213699 /nfs/dbraw/zinc/21/36/99/1051213699.db2.gz DLWCHBVTICHJRR-UHFFFAOYSA-N 1 0 342.439 4.304 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3CC3CCCCC3)nc2c1 ZINC001190642591 1051239393 /nfs/dbraw/zinc/23/93/93/1051239393.db2.gz DWQNQWWMODDVLK-OAHLLOKOSA-N 1 0 342.443 4.406 20 5 EIBDRO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000183676662 1051254907 /nfs/dbraw/zinc/25/49/07/1051254907.db2.gz UDVAZXDKRHYNDE-CQSZACIVSA-N 1 0 337.379 4.443 20 5 EIBDRO Nc1ccc2cc3ccc(Nc4cc(CO)ccc4F)cc3[nH+]c2c1 ZINC001175131944 1051399139 /nfs/dbraw/zinc/39/91/39/1051399139.db2.gz SUKOXOZTRWFSPT-UHFFFAOYSA-N 1 0 333.366 4.345 20 5 EIBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1(C)C ZINC001182298412 1051474229 /nfs/dbraw/zinc/47/42/29/1051474229.db2.gz LWFQXVPFUCGOSB-LSDHHAIUSA-N 1 0 340.851 4.320 20 5 EIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H](C)c1nccs1 ZINC000183928551 1051654196 /nfs/dbraw/zinc/65/41/96/1051654196.db2.gz WXPIJJFOIGYTBC-CYBMUJFWSA-N 1 0 349.456 4.074 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(=Cc3ccccc3F)CC2)cc1 ZINC001192222574 1051669860 /nfs/dbraw/zinc/66/98/60/1051669860.db2.gz ANSXIGOWOMBYLN-UHFFFAOYSA-N 1 0 340.398 4.456 20 5 EIBDRO C[C@]1(c2ccccc2)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001175742448 1051751791 /nfs/dbraw/zinc/75/17/91/1051751791.db2.gz ZMIJIIQQTJZBCL-HXUWFJFHSA-N 1 0 340.423 4.375 20 5 EIBDRO CO[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC001183059922 1051780860 /nfs/dbraw/zinc/78/08/60/1051780860.db2.gz QMNSUKFKRLALTN-ILZDJORESA-N 1 0 346.471 4.101 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(F)c2cccnc12)c1cccc([N+](=O)[O-])c1 ZINC001192672347 1051787079 /nfs/dbraw/zinc/78/70/79/1051787079.db2.gz GROVMPJLCABNRI-LBPRGKRZSA-N 1 0 325.343 4.133 20 5 EIBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCc1ccc(Cl)cc1 ZINC001192857728 1051824431 /nfs/dbraw/zinc/82/44/31/1051824431.db2.gz FUGBJTSZIBDDJU-UHFFFAOYSA-N 1 0 348.830 4.192 20 5 EIBDRO COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1C ZINC001175999785 1051867253 /nfs/dbraw/zinc/86/72/53/1051867253.db2.gz JGSOIDUUMVFIJV-LBPRGKRZSA-N 1 0 334.803 4.416 20 5 EIBDRO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001183652848 1051878134 /nfs/dbraw/zinc/87/81/34/1051878134.db2.gz WFLVSQLIOLTXRY-KBPBESRZSA-N 1 0 338.411 4.143 20 5 EIBDRO C[C@@H]([NH2+]C1CC(c2ccc(F)cc2F)C1)c1ccc([N+](=O)[O-])cc1 ZINC001183779184 1051893097 /nfs/dbraw/zinc/89/30/97/1051893097.db2.gz HZAPZGSQFNPFKC-NUYPLMSZSA-N 1 0 332.350 4.470 20 5 EIBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C12CCCCC2 ZINC001183788615 1051899330 /nfs/dbraw/zinc/89/93/30/1051899330.db2.gz MPTYFCNZMSPKFT-BMGDILEWSA-N 1 0 332.444 4.373 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC001193931168 1052024866 /nfs/dbraw/zinc/02/48/66/1052024866.db2.gz MLNOFISNVQCLSF-DOTOQJQBSA-N 1 0 340.423 4.290 20 5 EIBDRO COc1ccc(Nc2ccc(C3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC001176363422 1052039728 /nfs/dbraw/zinc/03/97/28/1052039728.db2.gz PCEOCCQJHRHFLX-UHFFFAOYSA-N 1 0 341.411 4.156 20 5 EIBDRO C[NH+](C)C1(CNc2nccc3c2cccc3[N+](=O)[O-])CCCCCC1 ZINC001184634557 1052063994 /nfs/dbraw/zinc/06/39/94/1052063994.db2.gz STTOJIZVVOUCCI-UHFFFAOYSA-N 1 0 342.443 4.210 20 5 EIBDRO Cc1ccc([C@H](CNc2ccc(F)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC001185116855 1052179048 /nfs/dbraw/zinc/17/90/48/1052179048.db2.gz MSHIXAUEJKPGMT-IBGZPJMESA-N 1 0 343.402 4.291 20 5 EIBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001185526821 1052257691 /nfs/dbraw/zinc/25/76/91/1052257691.db2.gz HMWJFMMDFMTZCZ-NSHDSACASA-N 1 0 346.258 4.212 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000072558943 1052434314 /nfs/dbraw/zinc/43/43/14/1052434314.db2.gz SANVTJAHFYDNMQ-AWEZNQCLSA-N 1 0 326.396 4.241 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000072558944 1052434376 /nfs/dbraw/zinc/43/43/76/1052434376.db2.gz SANVTJAHFYDNMQ-CQSZACIVSA-N 1 0 326.396 4.241 20 5 EIBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000182715836 1052947229 /nfs/dbraw/zinc/94/72/29/1052947229.db2.gz BZGWDRSRIYSDFF-ZIAGYGMSSA-N 1 0 343.427 4.207 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 ZINC000112515513 1053026462 /nfs/dbraw/zinc/02/64/62/1053026462.db2.gz XGDIUQWUUWUQEQ-JLTOFOAXSA-N 1 0 336.391 4.132 20 5 EIBDRO C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001194807735 1053107824 /nfs/dbraw/zinc/10/78/24/1053107824.db2.gz SYHXDVPNABPRAG-LSDHHAIUSA-N 1 0 347.459 4.070 20 5 EIBDRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001194953614 1053201186 /nfs/dbraw/zinc/20/11/86/1053201186.db2.gz QJFHXWBJZIIOKN-SCLBCKFNSA-N 1 0 329.400 4.308 20 5 EIBDRO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001195122248 1053282009 /nfs/dbraw/zinc/28/20/09/1053282009.db2.gz FMNCTGWBTGJHTE-LJQANCHMSA-N 1 0 344.386 4.258 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@@H]2C[C@H](O)c3ccccc32)c2cc([N+](=O)[O-])ccc21 ZINC000850526154 1053283761 /nfs/dbraw/zinc/28/37/61/1053283761.db2.gz BEFJPWIQTQCASR-QYZOEREBSA-N 1 0 338.407 4.085 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001195713693 1053468083 /nfs/dbraw/zinc/46/80/83/1053468083.db2.gz ZILWSZYXROZQNG-VAMGGRTRSA-N 1 0 338.407 4.089 20 5 EIBDRO Cc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000776584731 1053560507 /nfs/dbraw/zinc/56/05/07/1053560507.db2.gz PKNBHDZLXTVBIS-ZWKOTPCHSA-N 1 0 344.411 4.147 20 5 EIBDRO CC1(C)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC001195994561 1053564700 /nfs/dbraw/zinc/56/47/00/1053564700.db2.gz DJDQKPWFHGFLJX-UHFFFAOYSA-N 1 0 347.459 4.072 20 5 EIBDRO Cc1cccc([C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C)c1 ZINC000776605316 1053591190 /nfs/dbraw/zinc/59/11/90/1053591190.db2.gz KHGCDITVASXAEP-RTBURBONSA-N 1 0 342.439 4.314 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000852596377 1053594931 /nfs/dbraw/zinc/59/49/31/1053594931.db2.gz LHLYVIYHZCBXEM-CXAGYDPISA-N 1 0 338.835 4.029 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C4CCC4)C3)co2)cc1 ZINC001196255293 1053619324 /nfs/dbraw/zinc/61/93/24/1053619324.db2.gz TZIFYFIYHHUFOS-MRXNPFEDSA-N 1 0 341.411 4.262 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000853094593 1053645371 /nfs/dbraw/zinc/64/53/71/1053645371.db2.gz HDOOTTCIXGIAEI-CQSZACIVSA-N 1 0 326.396 4.079 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cc2cnccc2o1 ZINC000866621359 1053810292 /nfs/dbraw/zinc/81/02/92/1053810292.db2.gz QZWXXBVZSSYTJI-YVEFUNNKSA-N 1 0 337.379 4.464 20 5 EIBDRO C[C@@H](CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OCc1ccccc1 ZINC001197659784 1053961608 /nfs/dbraw/zinc/96/16/08/1053961608.db2.gz KFBKOQURVMMUKN-HOTGVXAUSA-N 1 0 328.412 4.241 20 5 EIBDRO C[C@@H](COCC1CCCCC1)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001198000670 1054042883 /nfs/dbraw/zinc/04/28/83/1054042883.db2.gz ITROQQGGIMYNNE-ZDUSSCGKSA-N 1 0 340.851 4.323 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000173348368 1054094643 /nfs/dbraw/zinc/09/46/43/1054094643.db2.gz BSYCRSYIXZSZOH-BZNIZROVSA-N 1 0 332.787 4.423 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCCC34CC4)cs2)c1 ZINC001203314743 1054101790 /nfs/dbraw/zinc/10/17/90/1054101790.db2.gz ZPRZSFSNGLDOGT-CQSZACIVSA-N 1 0 343.452 4.388 20 5 EIBDRO C[C@]1(Cc2cccs2)CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC001198299038 1054118093 /nfs/dbraw/zinc/11/80/93/1054118093.db2.gz CQFRERXIYYTBOQ-QGZVFWFLSA-N 1 0 334.416 4.393 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857066105 1054169946 /nfs/dbraw/zinc/16/99/46/1054169946.db2.gz XJBQFOIUZCTTDH-WCQYABFASA-N 1 0 331.243 4.089 20 5 EIBDRO Cc1csc(CCCC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872031211 1054346119 /nfs/dbraw/zinc/34/61/19/1054346119.db2.gz HSPMFIPWADVMHC-GFCCVEGCSA-N 1 0 337.420 4.172 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1sc(C)nc1C ZINC000872040321 1054352669 /nfs/dbraw/zinc/35/26/69/1054352669.db2.gz XRPQQUPADWNNOK-VIFPVBQESA-N 1 0 337.470 4.241 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)c1ccncc1 ZINC000872039776 1054354351 /nfs/dbraw/zinc/35/43/51/1054354351.db2.gz HCOLBFXXAVOFKT-STQMWFEESA-N 1 0 331.441 4.166 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1cnccc1C ZINC000872043916 1054359415 /nfs/dbraw/zinc/35/94/15/1054359415.db2.gz ODCLDUZOGVRLKG-STQMWFEESA-N 1 0 331.441 4.432 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000872106135 1054390092 /nfs/dbraw/zinc/39/00/92/1054390092.db2.gz FFYNHTGRJNBELK-GFCCVEGCSA-N 1 0 342.342 4.452 20 5 EIBDRO Cc1c(C[NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)cccc1[N+](=O)[O-] ZINC000873011784 1054477156 /nfs/dbraw/zinc/47/71/56/1054477156.db2.gz GCIMNPAEANLWOQ-SFHVURJKSA-N 1 0 338.411 4.266 20 5 EIBDRO Cc1nc2c(s1)[C@@H]([NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)CCC2 ZINC000873103284 1054486347 /nfs/dbraw/zinc/48/63/47/1054486347.db2.gz STFPCKAMHNRQNG-AWEZNQCLSA-N 1 0 331.441 4.144 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCCOCc1ccccc1 ZINC001199907803 1054489170 /nfs/dbraw/zinc/48/91/70/1054489170.db2.gz ZKZXGOLEKKJGQX-UHFFFAOYSA-N 1 0 342.439 4.298 20 5 EIBDRO Cc1cc([C@@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C2CC2)ccc1F ZINC000776032501 1054490607 /nfs/dbraw/zinc/49/06/07/1054490607.db2.gz WBXUEMBYRHRQFA-SFHVURJKSA-N 1 0 332.350 4.422 20 5 EIBDRO CCCOc1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])ccc1OC ZINC000873184564 1054503072 /nfs/dbraw/zinc/50/30/72/1054503072.db2.gz RQNDZBINIRRCNK-CQSZACIVSA-N 1 0 344.411 4.243 20 5 EIBDRO CCCOc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])ccc1OC ZINC000873183944 1054504186 /nfs/dbraw/zinc/50/41/86/1054504186.db2.gz RQNDZBINIRRCNK-AWEZNQCLSA-N 1 0 344.411 4.243 20 5 EIBDRO Cc1ccc(C[NH+]2CCCC2)cc1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001201226906 1054723250 /nfs/dbraw/zinc/72/32/50/1054723250.db2.gz NHVWSRZQCIDOIY-UHFFFAOYSA-N 1 0 339.439 4.420 20 5 EIBDRO O=[N+]([O-])c1cc(O)cc(Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC001201222388 1054732021 /nfs/dbraw/zinc/73/20/21/1054732021.db2.gz MTMTUAXBBNRUSG-UHFFFAOYSA-N 1 0 327.384 4.030 20 5 EIBDRO COc1ccc(C[NH2+]Cc2ccc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000776173636 1054802350 /nfs/dbraw/zinc/80/23/50/1054802350.db2.gz BFOFDTUUZIKIDJ-UHFFFAOYSA-N 1 0 334.441 4.252 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(CC(C)C)cc1 ZINC001201633093 1054861088 /nfs/dbraw/zinc/86/10/88/1054861088.db2.gz IEDHWUBQIONRQN-UHFFFAOYSA-N 1 0 328.412 4.092 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1c(F)cccc1Cl ZINC001201693560 1054891441 /nfs/dbraw/zinc/89/14/41/1054891441.db2.gz MYECMBAUSATURN-UHFFFAOYSA-N 1 0 343.185 4.373 20 5 EIBDRO C/C(=C\c1ccccc1)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001201694783 1054891544 /nfs/dbraw/zinc/89/15/44/1054891544.db2.gz VQXWWPKPIHMJJV-SDNWHVSQSA-N 1 0 330.815 4.484 20 5 EIBDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)CCC2 ZINC001201777940 1054917614 /nfs/dbraw/zinc/91/76/14/1054917614.db2.gz OKNCNJRONNFIGV-LJQANCHMSA-N 1 0 340.423 4.387 20 5 EIBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1cc2ccccc2s1 ZINC000877018054 1055000427 /nfs/dbraw/zinc/00/04/27/1055000427.db2.gz KPKVQUUBGOJZIO-XGNXJENSSA-N 1 0 342.424 4.060 20 5 EIBDRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001202425949 1055167210 /nfs/dbraw/zinc/16/72/10/1055167210.db2.gz CVNKQCDDBLKCSR-BBRMVZONSA-N 1 0 331.441 4.100 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000326784570 1055520967 /nfs/dbraw/zinc/52/09/67/1055520967.db2.gz VLOMTXCGWPJHDY-UZLBHIALSA-N 1 0 339.439 4.083 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000542700128 1055841017 /nfs/dbraw/zinc/84/10/17/1055841017.db2.gz NDTJWISWJMNCHW-UHFFFAOYSA-N 1 0 344.386 4.086 20 5 EIBDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765844889 1055846005 /nfs/dbraw/zinc/84/60/05/1055846005.db2.gz KFCPGCIWMFEKMJ-SUMWQHHRSA-N 1 0 340.379 4.034 20 5 EIBDRO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000542704992 1055848562 /nfs/dbraw/zinc/84/85/62/1055848562.db2.gz JVOGSEWCPXXUJD-PMACEKPBSA-N 1 0 340.423 4.222 20 5 EIBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000273502640 1055890398 /nfs/dbraw/zinc/89/03/98/1055890398.db2.gz PJXPSQSQNKPHSP-MJGOQNOKSA-N 1 0 344.386 4.052 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000554747713 1056170077 /nfs/dbraw/zinc/17/00/77/1056170077.db2.gz ZRPAAXZOTMRULI-UHFFFAOYSA-N 1 0 345.830 4.007 20 5 EIBDRO CCc1ccc(C(C)(C)[NH2+]CCOc2ccccc2[N+](=O)[O-])cc1 ZINC001168657239 1056373952 /nfs/dbraw/zinc/37/39/52/1056373952.db2.gz MTCSMYVKXLXBIF-UHFFFAOYSA-N 1 0 328.412 4.061 20 5 EIBDRO CCC(CC)C[N@H+](CC)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000153879733 1056689653 /nfs/dbraw/zinc/68/96/53/1056689653.db2.gz KNTUYWHPCUMPQV-CYBMUJFWSA-N 1 0 346.431 4.464 20 5 EIBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C12CCCC2 ZINC000742390429 1058589940 /nfs/dbraw/zinc/58/99/40/1058589940.db2.gz GVWABJGANRKGGK-CVEARBPZSA-N 1 0 338.835 4.076 20 5 EIBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000742374261 1058601932 /nfs/dbraw/zinc/60/19/32/1058601932.db2.gz UDXQQHGLBBEEDX-ZWKOTPCHSA-N 1 0 328.387 4.468 20 5 EIBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000746046623 1059981078 /nfs/dbraw/zinc/98/10/78/1059981078.db2.gz CFYUQVMELQFCKJ-IFXJQAMLSA-N 1 0 342.439 4.277 20 5 EIBDRO C[N@H+](Cc1sc2ccccc2c1Cl)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035785 1060590717 /nfs/dbraw/zinc/59/07/17/1060590717.db2.gz CGKHEORLQIZHLI-RYUDHWBXSA-N 1 0 338.860 4.432 20 5 EIBDRO CC(C)(C)Oc1ccc([C@@H]2CC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)cc1 ZINC001169055821 1060609580 /nfs/dbraw/zinc/60/95/80/1060609580.db2.gz QOGQSFIXGXMLTK-KBAYOESNSA-N 1 0 346.471 4.099 20 5 EIBDRO CC1(C)C[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C[C@](C)(C[NH3+])C1 ZINC001169136189 1060654229 /nfs/dbraw/zinc/65/42/29/1060654229.db2.gz FDFOITDBYQCLFY-LIRRHRJNSA-N 1 0 342.443 4.099 20 5 EIBDRO CC1(C)C[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169150660 1060668598 /nfs/dbraw/zinc/66/85/98/1060668598.db2.gz CVEVUMJKQCSHJF-BFUOFWGJSA-N 1 0 342.443 4.099 20 5 EIBDRO CC1(C)C[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169153808 1060671195 /nfs/dbraw/zinc/67/11/95/1060671195.db2.gz UKNKCPOTPLNEGD-IFXJQAMLSA-N 1 0 342.443 4.099 20 5 EIBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC001169409842 1060801411 /nfs/dbraw/zinc/80/14/11/1060801411.db2.gz RRNYSCDDJMPEOG-LSDHHAIUSA-N 1 0 328.865 4.402 20 5 EIBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1nccc2c1cccc2[N+](=O)[O-] ZINC001169682891 1060896481 /nfs/dbraw/zinc/89/64/81/1060896481.db2.gz FZJICTJFAYEJQE-KRWDZBQOSA-N 1 0 348.406 4.383 20 5 EIBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001169695120 1060905116 /nfs/dbraw/zinc/90/51/16/1060905116.db2.gz GGHXVHVNSXFAQO-INIZCTEOSA-N 1 0 336.395 4.316 20 5 EIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC=C(C)C2)cc1OC ZINC001169761285 1060948291 /nfs/dbraw/zinc/94/82/91/1060948291.db2.gz HGRXEBMTYOMWRP-AWEZNQCLSA-N 1 0 348.443 4.180 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1 ZINC000038018424 213190088 /nfs/dbraw/zinc/19/00/88/213190088.db2.gz WQQIIYBPXYJMRR-VIFPVBQESA-N 1 0 341.230 4.270 20 5 EIBDRO C[C@H]([NH2+]CCCCOc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000532195381 1032081246 /nfs/dbraw/zinc/08/12/46/1032081246.db2.gz FVAQQGYTEQVONX-AWEZNQCLSA-N 1 0 332.375 4.244 20 5 EIBDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000532302804 1032140821 /nfs/dbraw/zinc/14/08/21/1032140821.db2.gz DSPFUXKZZATMOJ-MLGOLLRUSA-N 1 0 331.441 4.387 20 5 EIBDRO CC(C)(C)NC(=O)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000729685498 1032161762 /nfs/dbraw/zinc/16/17/62/1032161762.db2.gz DSYLIOVFCMTMMB-UHFFFAOYSA-N 1 0 334.463 4.387 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCCSCC2)s1 ZINC000508623981 1032283331 /nfs/dbraw/zinc/28/33/31/1032283331.db2.gz SUUJKKARDLWRBV-UHFFFAOYSA-N 1 0 334.466 4.262 20 5 EIBDRO Cc1cc(N(C)C[C@@H](C)c2nccs2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302177746 1032311798 /nfs/dbraw/zinc/31/17/98/1032311798.db2.gz RDWAHSZSCZKQDG-LLVKDONJSA-N 1 0 342.424 4.148 20 5 EIBDRO C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])c1cc2cccc(F)c2o1 ZINC000475708696 1032398787 /nfs/dbraw/zinc/39/87/87/1032398787.db2.gz YKFMWBXKFQMYPB-SNVBAGLBSA-N 1 0 332.306 4.470 20 5 EIBDRO CC(C)[C@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000532974656 1032432791 /nfs/dbraw/zinc/43/27/91/1032432791.db2.gz UMLXNSPYNMBNKF-QGZVFWFLSA-N 1 0 343.427 4.303 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000533052296 1032459154 /nfs/dbraw/zinc/45/91/54/1032459154.db2.gz WEMXTIVGFWRGRF-UHFFFAOYSA-N 1 0 344.386 4.302 20 5 EIBDRO C[C@@H]1CCC[C@@H](C)[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000533432028 1032759400 /nfs/dbraw/zinc/75/94/00/1032759400.db2.gz TZNRYTJPZWDBAJ-HUUCEWRRSA-N 1 0 343.427 4.303 20 5 EIBDRO CC[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000509532291 1032785576 /nfs/dbraw/zinc/78/55/76/1032785576.db2.gz JKTUIBDJVKWABB-CYBMUJFWSA-N 1 0 331.441 4.340 20 5 EIBDRO CSC[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430189339 1019065405 /nfs/dbraw/zinc/06/54/05/1019065405.db2.gz DCJRZIXIDIZEBC-AWEZNQCLSA-N 1 0 346.452 4.430 20 5 EIBDRO CSC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000430193543 1019106790 /nfs/dbraw/zinc/10/67/90/1019106790.db2.gz FNXRZFBYGLMOCM-CQSZACIVSA-N 1 0 346.452 4.430 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000430202236 1019261669 /nfs/dbraw/zinc/26/16/69/1019261669.db2.gz FQBIPDVUBVHALY-UHFFFAOYSA-N 1 0 334.803 4.282 20 5 EIBDRO COc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000610216030 1019388309 /nfs/dbraw/zinc/38/83/09/1019388309.db2.gz DVUGPMRKZXBFST-CRAIPNDOSA-N 1 0 340.423 4.229 20 5 EIBDRO COc1ccc(C[C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000610217351 1019430416 /nfs/dbraw/zinc/43/04/16/1019430416.db2.gz JCGLOISKFCZSEM-QGZVFWFLSA-N 1 0 340.423 4.058 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000430244068 1019594254 /nfs/dbraw/zinc/59/42/54/1019594254.db2.gz WGBSFWRTOFXROJ-SFHVURJKSA-N 1 0 328.412 4.480 20 5 EIBDRO COCC1(C)CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000500730818 1032842375 /nfs/dbraw/zinc/84/23/75/1032842375.db2.gz DGPCNTHMQFXLNW-UHFFFAOYSA-N 1 0 344.411 4.103 20 5 EIBDRO CCC[N@H+](CC1CCCCC1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001167146129 1020367095 /nfs/dbraw/zinc/36/70/95/1020367095.db2.gz KZVKDWRHCHEGJI-HNNXBMFYSA-N 1 0 347.459 4.214 20 5 EIBDRO CC(C)([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000728926831 1032917880 /nfs/dbraw/zinc/91/78/80/1032917880.db2.gz XIIIEJZLJGFUHU-UHFFFAOYSA-N 1 0 332.375 4.028 20 5 EIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Br)[C@@H](C)C(C)C ZINC001167240830 1020648600 /nfs/dbraw/zinc/64/86/00/1020648600.db2.gz LHIBGTZAKPACNN-NSHDSACASA-N 1 0 329.238 4.224 20 5 EIBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000511367644 1021319321 /nfs/dbraw/zinc/31/93/21/1021319321.db2.gz RVQNENZZXLJTMU-UHFFFAOYSA-N 1 0 330.815 4.327 20 5 EIBDRO Cc1ccc(C2CC([NH2+]CCc3c[nH]c4ccc([N+](=O)[O-])cc34)C2)cc1 ZINC000580252780 1021764466 /nfs/dbraw/zinc/76/44/66/1021764466.db2.gz HSSYPIMKNWXZCE-UHFFFAOYSA-N 1 0 349.434 4.463 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000580328466 1021772849 /nfs/dbraw/zinc/77/28/49/1021772849.db2.gz VIWZQGBSSJPYPB-WMLDXEAASA-N 1 0 330.428 4.054 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000581230418 1021837776 /nfs/dbraw/zinc/83/77/76/1021837776.db2.gz DUKCIEYNNVEWNI-VDBIKXPHSA-N 1 0 328.334 4.272 20 5 EIBDRO CCC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000581392288 1021849997 /nfs/dbraw/zinc/84/99/97/1021849997.db2.gz QEZHNNBFVTUVGP-HNNXBMFYSA-N 1 0 326.824 4.029 20 5 EIBDRO Cc1c(NC(=O)CC[N@@H+](CC(C)C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000582199176 1021928150 /nfs/dbraw/zinc/92/81/50/1021928150.db2.gz MUGYTGZXLCPHFL-UHFFFAOYSA-N 1 0 347.459 4.132 20 5 EIBDRO CCc1ccc([C@@H]([NH2+]C[C@H](C)CCOC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414182101 1022050919 /nfs/dbraw/zinc/05/09/19/1022050919.db2.gz AMIYRJSPCKVYCY-KUHUBIRLSA-N 1 0 346.427 4.102 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(OC)CC1 ZINC000414198425 1022099585 /nfs/dbraw/zinc/09/95/85/1022099585.db2.gz ZMLPUYRUKDWQGJ-WLYUNCDWSA-N 1 0 338.473 4.013 20 5 EIBDRO C[C@H]1CCC(C)(C)[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000452012701 1022214005 /nfs/dbraw/zinc/21/40/05/1022214005.db2.gz SHYRBWJIIYJKMO-ZDUSSCGKSA-N 1 0 329.400 4.055 20 5 EIBDRO C/C=C\C[C@H](CO)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000471605316 1022344650 /nfs/dbraw/zinc/34/46/50/1022344650.db2.gz GFFZMBYLTWEOFI-JHZNUDOXSA-N 1 0 346.452 4.301 20 5 EIBDRO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000471605317 1022346371 /nfs/dbraw/zinc/34/63/71/1022346371.db2.gz GFFZMBYLTWEOFI-KBIGUFJUSA-N 1 0 346.452 4.301 20 5 EIBDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000110243905 1022466776 /nfs/dbraw/zinc/46/67/76/1022466776.db2.gz PNGKHJYTNXNCFT-IAGOWNOFSA-N 1 0 348.443 4.156 20 5 EIBDRO CSc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000549684531 1033058845 /nfs/dbraw/zinc/05/88/45/1033058845.db2.gz ZBOJQUUVNKXFQM-QGZVFWFLSA-N 1 0 331.441 4.032 20 5 EIBDRO CCC[C@@H](NC1CC[NH+](CC(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000177836428 1022613590 /nfs/dbraw/zinc/61/35/90/1022613590.db2.gz GQJOYKCPFJOZEN-LJQANCHMSA-N 1 0 333.476 4.146 20 5 EIBDRO CC[C@@H](C)C[N@H+](CC)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000177850387 1022645078 /nfs/dbraw/zinc/64/50/78/1022645078.db2.gz DKVNKPGFKLWGAG-CQSZACIVSA-N 1 0 331.416 4.160 20 5 EIBDRO CC(C)OC(=O)c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180441526 1022661515 /nfs/dbraw/zinc/66/15/15/1022661515.db2.gz JJRYPQZITJGIMD-CQSZACIVSA-N 1 0 342.395 4.011 20 5 EIBDRO C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000541376162 1022752654 /nfs/dbraw/zinc/75/26/54/1022752654.db2.gz NWVNPWSIOCHZJG-HUUCEWRRSA-N 1 0 344.411 4.150 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCOc3ccc(F)cc32)cccc1[N+](=O)[O-] ZINC000180714193 1022800981 /nfs/dbraw/zinc/80/09/81/1022800981.db2.gz BSTABMGLHGAAQO-LRDDRELGSA-N 1 0 330.359 4.217 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000177926775 1022846996 /nfs/dbraw/zinc/84/69/96/1022846996.db2.gz WOFAMOJZNCAHKJ-QWHCGFSZSA-N 1 0 332.425 4.153 20 5 EIBDRO C[C@H]([NH2+]Cc1ccccc1N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000181267743 1022914626 /nfs/dbraw/zinc/91/46/26/1022914626.db2.gz RNLNZHILZRYLLE-INIZCTEOSA-N 1 0 339.439 4.436 20 5 EIBDRO Cc1cc([C@@H]2CCCN2c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)no1 ZINC000782948728 1023189999 /nfs/dbraw/zinc/18/99/99/1023189999.db2.gz WGPPAQYLGSGSOF-KRWDZBQOSA-N 1 0 338.367 4.089 20 5 EIBDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@@H](C)O1 ZINC000414510969 1023246449 /nfs/dbraw/zinc/24/64/49/1023246449.db2.gz GDLSQWNFZPBBNI-MGPQQGTHSA-N 1 0 346.452 4.226 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@H]2CCCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000414918361 1023364953 /nfs/dbraw/zinc/36/49/53/1023364953.db2.gz SFSLOUBIADOBRA-IBGZPJMESA-N 1 0 339.439 4.468 20 5 EIBDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000126578359 1023371406 /nfs/dbraw/zinc/37/14/06/1023371406.db2.gz YSLJMXJIWXOLGV-HNNXBMFYSA-N 1 0 344.411 4.103 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CSc2ccccc21 ZINC000584850665 1023385966 /nfs/dbraw/zinc/38/59/66/1023385966.db2.gz QCWVTZOJWDIAQY-MLGOLLRUSA-N 1 0 326.421 4.061 20 5 EIBDRO CC[C@H](C)[C@@H](C)[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000566519255 1023445569 /nfs/dbraw/zinc/44/55/69/1023445569.db2.gz IENNQEDZMBTLPV-DZGCQCFKSA-N 1 0 347.459 4.131 20 5 EIBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cccc([N+](=O)[O-])c1 ZINC000181551493 1023492978 /nfs/dbraw/zinc/49/29/78/1023492978.db2.gz QCYKDXIWEBHUIB-INIZCTEOSA-N 1 0 329.356 4.052 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cccc([N+](=O)[O-])c1 ZINC000181551513 1023493275 /nfs/dbraw/zinc/49/32/75/1023493275.db2.gz QCYKDXIWEBHUIB-MRXNPFEDSA-N 1 0 329.356 4.052 20 5 EIBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000500172613 1023565781 /nfs/dbraw/zinc/56/57/81/1023565781.db2.gz NMEVVGDJHIUICJ-GOSISDBHSA-N 1 0 340.423 4.119 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cc2ccccc2[nH]1 ZINC000468598303 1023591000 /nfs/dbraw/zinc/59/10/00/1023591000.db2.gz GVFFTJSRXAAWNF-PTNGSMBKSA-N 1 0 335.407 4.312 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CCOc2c(OC)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000090918507 1023675740 /nfs/dbraw/zinc/67/57/40/1023675740.db2.gz PNPRPYYWTBIJKJ-DLBZAZTESA-N 1 0 342.395 4.168 20 5 EIBDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910013 1023675771 /nfs/dbraw/zinc/67/57/71/1023675771.db2.gz OUMQOOVSNOGTSS-GFCCVEGCSA-N 1 0 333.457 4.376 20 5 EIBDRO CC(C)N(CCc1nccs1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119539657 1023676941 /nfs/dbraw/zinc/67/69/41/1023676941.db2.gz GJZXYCDVPDQPQT-UHFFFAOYSA-N 1 0 339.848 4.158 20 5 EIBDRO CSCC[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000566810003 1023822634 /nfs/dbraw/zinc/82/26/34/1023822634.db2.gz YCYVAYYVZKCWPJ-SNVBAGLBSA-N 1 0 336.379 4.187 20 5 EIBDRO Cc1ccc(C2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000341532523 1023834634 /nfs/dbraw/zinc/83/46/34/1023834634.db2.gz BSMVLMMNBQPOJK-XQRVVYSFSA-N 1 0 337.423 4.191 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000430745548 1024003628 /nfs/dbraw/zinc/00/36/28/1024003628.db2.gz ZUWLZHNCTAJFMN-NEPJUHHUSA-N 1 0 328.359 4.080 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000430745549 1024004550 /nfs/dbraw/zinc/00/45/50/1024004550.db2.gz ZUWLZHNCTAJFMN-NWDGAFQWSA-N 1 0 328.359 4.080 20 5 EIBDRO C[C@@H]([NH2+]CC1(C)COC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000164353245 1024079189 /nfs/dbraw/zinc/07/91/89/1024079189.db2.gz XBPZGELUVANJJI-GFCCVEGCSA-N 1 0 332.425 4.010 20 5 EIBDRO CC(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(F)cc1 ZINC000610581554 1024104169 /nfs/dbraw/zinc/10/41/69/1024104169.db2.gz SOAYMRSEQKBMFQ-UHFFFAOYSA-N 1 0 343.358 4.286 20 5 EIBDRO Cc1ccc([C@@H](C)[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000610581152 1024114240 /nfs/dbraw/zinc/11/42/40/1024114240.db2.gz GKPBFMXBILBCCQ-CYBMUJFWSA-N 1 0 325.368 4.237 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]4CCC[C@H]43)s2)cc1 ZINC000510649864 1024163835 /nfs/dbraw/zinc/16/38/35/1024163835.db2.gz YPSOJFSZLWQXOQ-IAGOWNOFSA-N 1 0 344.436 4.077 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000181814988 1024662739 /nfs/dbraw/zinc/66/27/39/1024662739.db2.gz DXJKFRAOUHAKJB-INIZCTEOSA-N 1 0 334.803 4.498 20 5 EIBDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000538126760 1025068121 /nfs/dbraw/zinc/06/81/21/1025068121.db2.gz YQTWFPROQFOVCY-OAHLLOKOSA-N 1 0 328.412 4.275 20 5 EIBDRO Cn1cccc1[C@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000538725521 1025514937 /nfs/dbraw/zinc/51/49/37/1025514937.db2.gz ZYAXRUDODSWLFB-WMHRWZGDSA-N 1 0 325.412 4.174 20 5 EIBDRO CC[NH+](CC)[C@@H](CNc1ncccc1[N+](=O)[O-])c1ccccc1Cl ZINC000024107695 1025642742 /nfs/dbraw/zinc/64/27/42/1025642742.db2.gz LRNPVVPDTZYVMZ-INIZCTEOSA-N 1 0 348.834 4.138 20 5 EIBDRO C[N@@H+]1CC[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000432334809 1025649642 /nfs/dbraw/zinc/64/96/42/1025649642.db2.gz KMEAXGYKCRHSSF-FXAWDEMLSA-N 1 0 348.406 4.000 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000266435062 1025855809 /nfs/dbraw/zinc/85/58/09/1025855809.db2.gz FBLUFBXKWHXZHR-QWHCGFSZSA-N 1 0 330.384 4.024 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000119707718 1025871907 /nfs/dbraw/zinc/87/19/07/1025871907.db2.gz WUNBIEUMRDBPSF-QWHCGFSZSA-N 1 0 329.356 4.223 20 5 EIBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C12CCCCC2 ZINC001167538883 1025996863 /nfs/dbraw/zinc/99/68/63/1025996863.db2.gz FZFMBAHHQMXZNR-RTBURBONSA-N 1 0 346.471 4.463 20 5 EIBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCOC3(CCC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000279185412 1026184660 /nfs/dbraw/zinc/18/46/60/1026184660.db2.gz VYFZAEWVMMCUOH-CXAGYDPISA-N 1 0 330.428 4.009 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000540136522 1026284424 /nfs/dbraw/zinc/28/44/24/1026284424.db2.gz PGWXLMSLBUEKTC-RIFZZMRRSA-N 1 0 340.423 4.332 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000158156147 1026296971 /nfs/dbraw/zinc/29/69/71/1026296971.db2.gz IJAZUMKDXJZRLG-BJZITVGISA-N 1 0 326.396 4.166 20 5 EIBDRO CCC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000184298942 1026392994 /nfs/dbraw/zinc/39/29/94/1026392994.db2.gz UEEIQRSATRZYMR-INIZCTEOSA-N 1 0 332.375 4.374 20 5 EIBDRO COc1cc(C[NH2+]C(C)(C)c2cccc(C)c2)c([N+](=O)[O-])cc1F ZINC000184308663 1026410756 /nfs/dbraw/zinc/41/07/56/1026410756.db2.gz FUGAJFFCSPUXOI-UHFFFAOYSA-N 1 0 332.375 4.076 20 5 EIBDRO Cc1ccc2c(C[NH2+][C@H](C)c3ccccc3[N+](=O)[O-])ccc(O)c2n1 ZINC000338288586 1026517656 /nfs/dbraw/zinc/51/76/56/1026517656.db2.gz LIYPKGQPQKXAPY-CYBMUJFWSA-N 1 0 337.379 4.008 20 5 EIBDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000507134794 1026665170 /nfs/dbraw/zinc/66/51/70/1026665170.db2.gz OKECXUXXUNLRLR-GOSISDBHSA-N 1 0 342.443 4.006 20 5 EIBDRO C[C@H](CC[N@H+](C)CCc1ccccc1[N+](=O)[O-])OCc1ccccc1 ZINC000511138847 1026711988 /nfs/dbraw/zinc/71/19/88/1026711988.db2.gz GVSSVPXVQADJJN-QGZVFWFLSA-N 1 0 342.439 4.065 20 5 EIBDRO COc1ccc([C@@H]2CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000512339360 1026740332 /nfs/dbraw/zinc/74/03/32/1026740332.db2.gz UMSLFHLANMFLBP-WLPBJKJWSA-N 1 0 338.407 4.106 20 5 EIBDRO CCOc1cc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000302067149 1026741551 /nfs/dbraw/zinc/74/15/51/1026741551.db2.gz WODZTVBPCLTOBV-GJZGRUSLSA-N 1 0 347.459 4.058 20 5 EIBDRO COc1ccc(-c2ccc(C[N@H+](C)[C@@H](C)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000507442602 1026795401 /nfs/dbraw/zinc/79/54/01/1026795401.db2.gz RZASTECQRYZJDJ-LBPRGKRZSA-N 1 0 330.384 4.094 20 5 EIBDRO COc1ccc(-c2ccc(C[N@H+](C)[C@H](C)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000507442601 1026795814 /nfs/dbraw/zinc/79/58/14/1026795814.db2.gz RZASTECQRYZJDJ-GFCCVEGCSA-N 1 0 330.384 4.094 20 5 EIBDRO CC[C@H]1C[C@@]1([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000500505842 1026804244 /nfs/dbraw/zinc/80/42/44/1026804244.db2.gz ZZGSPJVULOSACC-JXFKEZNVSA-N 1 0 340.423 4.327 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)cccc1[N+](=O)[O-] ZINC000562103399 1026869040 /nfs/dbraw/zinc/86/90/40/1026869040.db2.gz KTBRCQMAGPTQDN-MDYRTPRTSA-N 1 0 340.423 4.474 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934561629 1026876192 /nfs/dbraw/zinc/87/61/92/1026876192.db2.gz GDXADMSFMQWFSP-LSDHHAIUSA-N 1 0 342.443 4.312 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000507706234 1026882023 /nfs/dbraw/zinc/88/20/23/1026882023.db2.gz GWYQPYMVTCLHPF-JKNJVXJCSA-N 1 0 338.407 4.009 20 5 EIBDRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)C ZINC001167594822 1026910362 /nfs/dbraw/zinc/91/03/62/1026910362.db2.gz TVNABZFORNUTHT-UHFFFAOYSA-N 1 0 341.883 4.048 20 5 EIBDRO Cc1ccccc1C1CC([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000519723399 1026960017 /nfs/dbraw/zinc/96/00/17/1026960017.db2.gz HOHDYFJGYJSPFH-UHFFFAOYSA-N 1 0 349.434 4.463 20 5 EIBDRO CCOc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C(C)C)cc1 ZINC000519909404 1027042698 /nfs/dbraw/zinc/04/26/98/1027042698.db2.gz VYLUMSYJCDGSCR-UHFFFAOYSA-N 1 0 328.412 4.404 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178660796 1027262821 /nfs/dbraw/zinc/26/28/21/1027262821.db2.gz XCQAKBHHNLLOLT-HUUCEWRRSA-N 1 0 336.395 4.192 20 5 EIBDRO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000441323757 1027448091 /nfs/dbraw/zinc/44/80/91/1027448091.db2.gz OGEQIEOMXCWLMF-IFXJQAMLSA-N 1 0 328.387 4.360 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000441379200 1027503396 /nfs/dbraw/zinc/50/33/96/1027503396.db2.gz FIAGQGNEDIMUSI-HOCLYGCPSA-N 1 0 328.387 4.360 20 5 EIBDRO COc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000441406647 1027543217 /nfs/dbraw/zinc/54/32/17/1027543217.db2.gz YHUMRHVHDNEODF-LSDHHAIUSA-N 1 0 326.396 4.154 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000475550389 1027587351 /nfs/dbraw/zinc/58/73/51/1027587351.db2.gz RARFNVYSYMRRSZ-NVXWUHKLSA-N 1 0 344.386 4.168 20 5 EIBDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000444660188 1027930880 /nfs/dbraw/zinc/93/08/80/1027930880.db2.gz IXAQDPWKZIFWKZ-CJNGLKHVSA-N 1 0 344.415 4.045 20 5 EIBDRO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCC[C@H]1C ZINC000444666399 1027948503 /nfs/dbraw/zinc/94/85/03/1027948503.db2.gz SHUNGKQTCMAHEO-CJNGLKHVSA-N 1 0 344.415 4.045 20 5 EIBDRO CC(C)[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000444754524 1028039816 /nfs/dbraw/zinc/03/98/16/1028039816.db2.gz MGKJFPUCAUGXQR-INIZCTEOSA-N 1 0 343.427 4.160 20 5 EIBDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000583432780 1028726004 /nfs/dbraw/zinc/72/60/04/1028726004.db2.gz ALLYRTWKZXOUCO-QGZVFWFLSA-N 1 0 344.411 4.195 20 5 EIBDRO Cc1nn(C(C)C)cc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000281563377 1028778520 /nfs/dbraw/zinc/77/85/20/1028778520.db2.gz JYEVYEVVINNWNM-UHFFFAOYSA-N 1 0 330.432 4.091 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2SC)cc1[N+](=O)[O-] ZINC000281604415 1028811174 /nfs/dbraw/zinc/81/11/74/1028811174.db2.gz GCOIMEWGPSFDNC-LBPRGKRZSA-N 1 0 332.425 4.176 20 5 EIBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000446000744 1029066686 /nfs/dbraw/zinc/06/66/86/1029066686.db2.gz GOWLPYZCFFRMBU-NVXWUHKLSA-N 1 0 344.386 4.168 20 5 EIBDRO CN(Cc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)c2cccnc12 ZINC000052589528 1029195756 /nfs/dbraw/zinc/19/57/56/1029195756.db2.gz RRXYRPKHEBUPOQ-UHFFFAOYSA-N 1 0 341.798 4.428 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccsc3)o2)c([N+](=O)[O-])c1 ZINC000237436326 1029330016 /nfs/dbraw/zinc/33/00/16/1029330016.db2.gz AUUQPTKMIHYMOF-UHFFFAOYSA-N 1 0 344.392 4.215 20 5 EIBDRO Cc1c(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000523007648 1029345595 /nfs/dbraw/zinc/34/55/95/1029345595.db2.gz UHQJINUEWJYQKC-MRXNPFEDSA-N 1 0 328.387 4.107 20 5 EIBDRO C[C@H](CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)OCc1ccccc1 ZINC000475311728 1029521418 /nfs/dbraw/zinc/52/14/18/1029521418.db2.gz VXBVCXUJAJCOHZ-HZPDHXFCSA-N 1 0 328.412 4.241 20 5 EIBDRO COc1ccc([C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C2CC2)cc1 ZINC000584361493 1029762818 /nfs/dbraw/zinc/76/28/18/1029762818.db2.gz SDDIUOYLLYNQJJ-QUCCMNQESA-N 1 0 338.407 4.332 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000158832446 1029857462 /nfs/dbraw/zinc/85/74/62/1029857462.db2.gz GQTDYZZSNZZYFD-JLTOFOAXSA-N 1 0 336.391 4.132 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1COc2ccccc21 ZINC000447576108 1030204418 /nfs/dbraw/zinc/20/44/18/1030204418.db2.gz WKXKPMWBERMMKZ-MJXNMMHHSA-N 1 0 338.407 4.127 20 5 EIBDRO Cc1cc(N2CCC(c3cccnc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611931080 1030388478 /nfs/dbraw/zinc/38/84/78/1030388478.db2.gz QDPWNXRBFIEGAE-UHFFFAOYSA-N 1 0 348.406 4.230 20 5 EIBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1csc(Cl)c1 ZINC000527042762 1030422888 /nfs/dbraw/zinc/42/28/88/1030422888.db2.gz CNLIFBUEFHQEFD-JTQLQIEISA-N 1 0 326.805 4.039 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3nc4ccccc4o3)C2)cc1 ZINC000451544824 1030563732 /nfs/dbraw/zinc/56/37/32/1030563732.db2.gz FXLZSGSJQNKZCP-HNNXBMFYSA-N 1 0 337.379 4.116 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCCN(C)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000451866310 1030746624 /nfs/dbraw/zinc/74/66/24/1030746624.db2.gz JLCCSNSZGOTTSX-KDOFPFPSSA-N 1 0 325.412 4.217 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+]Cc3cccs3)o2)c([N+](=O)[O-])c1 ZINC000102419847 1030758991 /nfs/dbraw/zinc/75/89/91/1030758991.db2.gz ZWIFHNZXEQOPLK-UHFFFAOYSA-N 1 0 344.392 4.215 20 5 EIBDRO C[C@H]([NH2+]C1(Cc2ccccc2)CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000451933741 1030782534 /nfs/dbraw/zinc/78/25/34/1030782534.db2.gz CDDYDHLXBLLTON-INIZCTEOSA-N 1 0 340.423 4.037 20 5 EIBDRO Cc1cccc2[nH]cc(CC[NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])c21 ZINC000449122854 1031461477 /nfs/dbraw/zinc/46/14/77/1031461477.db2.gz MGNOMAFHZKTVQJ-OAHLLOKOSA-N 1 0 337.423 4.148 20 5 EIBDRO Cc1ccc2c(CC[NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])c[nH]c2c1 ZINC000449111591 1031472385 /nfs/dbraw/zinc/47/23/85/1031472385.db2.gz NIQGLCGKYKKRMK-HNNXBMFYSA-N 1 0 337.423 4.148 20 5 EIBDRO CCOc1ccccc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000531700405 1031486191 /nfs/dbraw/zinc/48/61/91/1031486191.db2.gz HZTVQQRRELBKTP-GOSISDBHSA-N 1 0 340.423 4.104 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccnn1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000449167898 1031486475 /nfs/dbraw/zinc/48/64/75/1031486475.db2.gz BYEGKHSVPJNTSX-SFHVURJKSA-N 1 0 328.416 4.147 20 5 EIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CSc2ccccc21 ZINC000449367291 1031660289 /nfs/dbraw/zinc/66/02/89/1031660289.db2.gz UZWDCPKIGZELFQ-DZGCQCFKSA-N 1 0 328.437 4.005 20 5 EIBDRO C[C@@H]([NH2+]CC1=CCOCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453289726 1031808832 /nfs/dbraw/zinc/80/88/32/1031808832.db2.gz MNDQBAFQIWQTHZ-CYBMUJFWSA-N 1 0 344.436 4.321 20 5 EIBDRO CCC[C@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000453325159 1031852725 /nfs/dbraw/zinc/85/27/25/1031852725.db2.gz UBDNOYFSYVJOTE-QAPCUYQASA-N 1 0 332.444 4.375 20 5 EIBDRO COc1ccccc1C1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000531964493 1031885445 /nfs/dbraw/zinc/88/54/45/1031885445.db2.gz TZIVABFKQGKDMV-OAHLLOKOSA-N 1 0 340.423 4.294 20 5 EIBDRO CC1(C)C[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000453409084 1031943313 /nfs/dbraw/zinc/94/33/13/1031943313.db2.gz HDWDAPATDRSYTD-RYRKJORJSA-N 1 0 346.471 4.101 20 5 EIBDRO COC[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000449778385 1032001974 /nfs/dbraw/zinc/00/19/74/1032001974.db2.gz RZXPYVKGGGCJLQ-HNNXBMFYSA-N 1 0 344.411 4.103 20 5 EIBDRO CC(C)(CO)[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000453581879 1032029877 /nfs/dbraw/zinc/02/98/77/1032029877.db2.gz VKDHKMGSTZMAFZ-CTEOGUNLSA-N 1 0 346.452 4.019 20 5 EIBDRO CC1(C)C[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000453587108 1032033322 /nfs/dbraw/zinc/03/33/22/1032033322.db2.gz WLPCNKXWVMWVJG-CQSZACIVSA-N 1 0 344.411 4.150 20 5 EIBDRO CC(C)C1CCC([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000433026263 1033686905 /nfs/dbraw/zinc/68/69/05/1033686905.db2.gz DLFYPMJHCJXFLG-UHFFFAOYSA-N 1 0 348.443 4.108 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cccc2cccnc21)C1CC1 ZINC000120486682 1033840331 /nfs/dbraw/zinc/84/03/31/1033840331.db2.gz YOUJEPBSXAGKRR-IBGZPJMESA-N 1 0 347.418 4.254 20 5 EIBDRO COc1cccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433136358 1033905214 /nfs/dbraw/zinc/90/52/14/1033905214.db2.gz PTPOSUWUCFGGJY-SFHVURJKSA-N 1 0 326.396 4.116 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCOC3(CCCCC3)C1)CCC2 ZINC000408447198 1033936708 /nfs/dbraw/zinc/93/67/08/1033936708.db2.gz BVPNLDAPQGDMHC-LPHOPBHVSA-N 1 0 344.455 4.444 20 5 EIBDRO CN(C)c1cccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433174938 1033985259 /nfs/dbraw/zinc/98/52/59/1033985259.db2.gz OMQHUELWYVFKKJ-IBGZPJMESA-N 1 0 339.439 4.173 20 5 EIBDRO Cc1cnc([C@@H](C)C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000433227652 1034073629 /nfs/dbraw/zinc/07/36/29/1034073629.db2.gz LTSBTULSZWPPME-MEDUHNTESA-N 1 0 345.468 4.475 20 5 EIBDRO COc1cc(C)ccc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433280265 1034146403 /nfs/dbraw/zinc/14/64/03/1034146403.db2.gz BIWITPOMWHXAOW-GOSISDBHSA-N 1 0 340.423 4.424 20 5 EIBDRO COC1CCC(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433281135 1034148686 /nfs/dbraw/zinc/14/86/86/1034148686.db2.gz ASWOQOYBKMSRRL-LEHRNKBSSA-N 1 0 332.444 4.112 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]CC2(CCO)CCCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433285942 1034173366 /nfs/dbraw/zinc/17/33/66/1034173366.db2.gz IVGSDRGDFBYJMW-GOSISDBHSA-N 1 0 346.471 4.240 20 5 EIBDRO CC1(C)C[C@H]([NH2+]CCC[C@@H]2CCCC[C@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000433293506 1034184874 /nfs/dbraw/zinc/18/48/74/1034184874.db2.gz FNZZTOMXSBBTQZ-ZOCIIQOWSA-N 1 0 346.471 4.238 20 5 EIBDRO CC(C)([NH2+]Cc1cnc(C2CCC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000151021960 1034454189 /nfs/dbraw/zinc/45/41/89/1034454189.db2.gz QHUSABZQFSWUED-UHFFFAOYSA-N 1 0 331.441 4.344 20 5 EIBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCCCC2)c(F)c1 ZINC000513085330 1034506955 /nfs/dbraw/zinc/50/69/55/1034506955.db2.gz ZRPOYLLWNAFAJT-UHFFFAOYSA-N 1 0 343.402 4.332 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000052333718 1034516608 /nfs/dbraw/zinc/51/66/08/1034516608.db2.gz JAQVZHVLICWRTQ-LLVKDONJSA-N 1 0 341.249 4.416 20 5 EIBDRO C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000513682975 1035100084 /nfs/dbraw/zinc/10/00/84/1035100084.db2.gz DPSHILPKYJFPGX-GFCCVEGCSA-N 1 0 336.338 4.389 20 5 EIBDRO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000513682976 1035100432 /nfs/dbraw/zinc/10/04/32/1035100432.db2.gz DPSHILPKYJFPGX-LBPRGKRZSA-N 1 0 336.338 4.389 20 5 EIBDRO CC[C@H](C)[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000237001699 1035326759 /nfs/dbraw/zinc/32/67/59/1035326759.db2.gz DDSGQMDIRLQMIU-AWEZNQCLSA-N 1 0 344.411 4.071 20 5 EIBDRO CCc1cccc2c(CC[NH2+]Cc3csc([N+](=O)[O-])c3)c[nH]c21 ZINC000237008105 1035327257 /nfs/dbraw/zinc/32/72/57/1035327257.db2.gz QSSLBWXWKMSOJR-UHFFFAOYSA-N 1 0 329.425 4.032 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595003687 1035531335 /nfs/dbraw/zinc/53/13/35/1035531335.db2.gz JQIBJPDQDIGTNS-UONOGXRCSA-N 1 0 344.411 4.414 20 5 EIBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(OC3CC3)c2F)cccc1[N+](=O)[O-] ZINC000595066989 1035552273 /nfs/dbraw/zinc/55/22/73/1035552273.db2.gz CVAKMGIXVFZZTE-ZDUSSCGKSA-N 1 0 344.386 4.434 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000595030950 1035562368 /nfs/dbraw/zinc/56/23/68/1035562368.db2.gz YVPCMYTUSQEJDZ-CQSZACIVSA-N 1 0 343.427 4.147 20 5 EIBDRO C[C@@]1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000595080257 1035591374 /nfs/dbraw/zinc/59/13/74/1035591374.db2.gz PLFJUENTHHFGGX-IRXDYDNUSA-N 1 0 332.350 4.319 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000595097037 1035602411 /nfs/dbraw/zinc/60/24/11/1035602411.db2.gz GNPREYSOUFSYKS-FZWSLVFFSA-N 1 0 340.370 4.222 20 5 EIBDRO COCCCC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000595470402 1035686008 /nfs/dbraw/zinc/68/60/08/1035686008.db2.gz UVVVZSSNRKOPLI-GOSISDBHSA-N 1 0 346.402 4.382 20 5 EIBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000595535067 1035688504 /nfs/dbraw/zinc/68/85/04/1035688504.db2.gz YDPWNVAUGNUPLP-GWCFXTLKSA-N 1 0 334.313 4.335 20 5 EIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)CC3 ZINC000491020919 1035767496 /nfs/dbraw/zinc/76/74/96/1035767496.db2.gz NQQIYKVBUCMSHU-MRXNPFEDSA-N 1 0 349.434 4.074 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)CC(F)(F)F ZINC000596096978 1035817407 /nfs/dbraw/zinc/81/74/07/1035817407.db2.gz MBYBIVXHYIAAFR-LBPRGKRZSA-N 1 0 332.366 4.484 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1[N+](=O)[O-] ZINC000586791242 1035848584 /nfs/dbraw/zinc/84/85/84/1035848584.db2.gz VYUITOFPEJIGLH-NEPJUHHUSA-N 1 0 341.367 4.162 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000485458934 1035893591 /nfs/dbraw/zinc/89/35/91/1035893591.db2.gz SQYOQXKMVLJHOR-CQSZACIVSA-N 1 0 336.432 4.018 20 5 EIBDRO Cc1ccc(C[NH2+]CC2(c3ccc(F)cc3)CCC2)cc1[N+](=O)[O-] ZINC000518772513 1036047144 /nfs/dbraw/zinc/04/71/44/1036047144.db2.gz IBBBMGWAUQYOIS-UHFFFAOYSA-N 1 0 328.387 4.254 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C1CC1 ZINC000502599417 1036394419 /nfs/dbraw/zinc/39/44/19/1036394419.db2.gz JWVDUSYCGXKTQY-CJNGLKHVSA-N 1 0 338.398 4.331 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000156794215 1036407278 /nfs/dbraw/zinc/40/72/78/1036407278.db2.gz NHBVJCCFJFGCMI-IEBWSBKVSA-N 1 0 340.423 4.231 20 5 EIBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](Cc3cccs3)CC2)c(F)c1 ZINC000060864817 1036580032 /nfs/dbraw/zinc/58/00/32/1036580032.db2.gz JYLMALGOFJKBOM-UHFFFAOYSA-N 1 0 349.431 4.120 20 5 EIBDRO CCC[N@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589195861 1036703617 /nfs/dbraw/zinc/70/36/17/1036703617.db2.gz POIXYTQEAGYZKD-UHFFFAOYSA-N 1 0 333.819 4.098 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@H+](CCc2ccccc2)Cc2ccncc2)c1 ZINC000589194407 1036703904 /nfs/dbraw/zinc/70/39/04/1036703904.db2.gz MPCISXDVXANWKX-UHFFFAOYSA-N 1 0 347.418 4.235 20 5 EIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CC3 ZINC000486473220 1036718653 /nfs/dbraw/zinc/71/86/53/1036718653.db2.gz FHWRHPDLDVGACL-HNNXBMFYSA-N 1 0 335.407 4.032 20 5 EIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)CC3 ZINC000486521698 1036758589 /nfs/dbraw/zinc/75/85/89/1036758589.db2.gz WSMCICSKWUJARK-CYBMUJFWSA-N 1 0 341.436 4.093 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@H]3CCCOC3)s2)cc1 ZINC000598984810 1036842987 /nfs/dbraw/zinc/84/29/87/1036842987.db2.gz CBOWTOBYPGWYKT-CQSZACIVSA-N 1 0 346.452 4.230 20 5 EIBDRO CCCCC[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486795177 1036856245 /nfs/dbraw/zinc/85/62/45/1036856245.db2.gz QCNPIZWCBAQKSV-HNNXBMFYSA-N 1 0 344.415 4.190 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000599086095 1036874314 /nfs/dbraw/zinc/87/43/14/1036874314.db2.gz IKCVYXVZYPKEQI-ZDUSSCGKSA-N 1 0 328.334 4.294 20 5 EIBDRO C[C@]1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCS1 ZINC000133632695 1036887199 /nfs/dbraw/zinc/88/71/99/1036887199.db2.gz PRCXYQZLVWTYQX-MRXNPFEDSA-N 1 0 349.481 4.094 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000603580109 1036893093 /nfs/dbraw/zinc/89/30/93/1036893093.db2.gz NKFSLQNOOGTVGU-UHFFFAOYSA-N 1 0 345.830 4.456 20 5 EIBDRO COc1ccc(C[N@H+](C)Cc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000603844758 1037037676 /nfs/dbraw/zinc/03/76/76/1037037676.db2.gz YRUHQMQJIYHZRO-UHFFFAOYSA-N 1 0 336.391 4.389 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCCC[C@H]2c2ccncc2)cc1 ZINC000603879279 1037071551 /nfs/dbraw/zinc/07/15/51/1037071551.db2.gz ONBWAJKWYWTMHN-IBGZPJMESA-N 1 0 325.412 4.150 20 5 EIBDRO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc(C)ccc1C ZINC000599645595 1037108525 /nfs/dbraw/zinc/10/85/25/1037108525.db2.gz QHMFSUQVWUWGBS-INIZCTEOSA-N 1 0 338.411 4.329 20 5 EIBDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])c1 ZINC000604016819 1037150005 /nfs/dbraw/zinc/15/00/05/1037150005.db2.gz FAFVPKVOSKAGRJ-KRWDZBQOSA-N 1 0 326.396 4.119 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]C2CCC(OC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000590780136 1037163099 /nfs/dbraw/zinc/16/30/99/1037163099.db2.gz NHCJZJUCOCAOMF-PNESKVBLSA-N 1 0 328.359 4.104 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC3(CCC3)C1)CCCC2 ZINC000591348172 1037390501 /nfs/dbraw/zinc/39/05/01/1037390501.db2.gz BKNWQFIINHPOPE-QAPCUYQASA-N 1 0 330.428 4.054 20 5 EIBDRO COc1cccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC(C)C)c1 ZINC000604494661 1037405745 /nfs/dbraw/zinc/40/57/45/1037405745.db2.gz TZDXEKPGTZXOIG-UHFFFAOYSA-N 1 0 328.412 4.262 20 5 EIBDRO Cc1cccc2[nH]cc(CC[NH2+]C/C=C\c3ccccc3[N+](=O)[O-])c21 ZINC000488455722 1037598982 /nfs/dbraw/zinc/59/89/82/1037598982.db2.gz DVNKISAMCVCUMI-YVMONPNESA-N 1 0 335.407 4.230 20 5 EIBDRO CCCO[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172179798 1037888355 /nfs/dbraw/zinc/88/83/55/1037888355.db2.gz ALGFMYDNYWJQRE-OAHLLOKOSA-N 1 0 326.824 4.029 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCCOC1 ZINC000503903450 1037974736 /nfs/dbraw/zinc/97/47/36/1037974736.db2.gz SOPQJPSSEIZPSN-KGLIPLIRSA-N 1 0 346.452 4.228 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCc3cc(N)ccc32)cccc1[N+](=O)[O-] ZINC000423342186 1038157357 /nfs/dbraw/zinc/15/73/57/1038157357.db2.gz CZBFEDJTWAXEJA-UGSOOPFHSA-N 1 0 325.412 4.214 20 5 EIBDRO C[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000423427462 1038230191 /nfs/dbraw/zinc/23/01/91/1038230191.db2.gz QMGJWMQDUIWGPO-SJCJKPOMSA-N 1 0 341.411 4.130 20 5 EIBDRO C[N@H+](CCCNc1ccc2ncccc2c1[N+](=O)[O-])C1CCCCC1 ZINC000059369237 1038497694 /nfs/dbraw/zinc/49/76/94/1038497694.db2.gz SONOQHNFPCHOBH-UHFFFAOYSA-N 1 0 342.443 4.210 20 5 EIBDRO Cc1cc(NCc2cccc(C[NH+]3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000059385981 1038566329 /nfs/dbraw/zinc/56/63/29/1038566329.db2.gz VKHIBXZUCNHBMX-UHFFFAOYSA-N 1 0 325.412 4.111 20 5 EIBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000539038051 1038792701 /nfs/dbraw/zinc/79/27/01/1038792701.db2.gz RLQGHNWMTUKDLM-MMTROXRISA-N 1 0 346.471 4.099 20 5 EIBDRO CSCCCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000480770459 1038808874 /nfs/dbraw/zinc/80/88/74/1038808874.db2.gz KROZMELAKUPZEI-NVXWUHKLSA-N 1 0 336.501 4.429 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccsc1 ZINC000504899892 1038843392 /nfs/dbraw/zinc/84/33/92/1038843392.db2.gz NZIHCNCXVFATMC-CQSZACIVSA-N 1 0 336.482 4.359 20 5 EIBDRO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000192807696 1038870381 /nfs/dbraw/zinc/87/03/81/1038870381.db2.gz RCTLDHARQPURSU-OLZOCXBDSA-N 1 0 332.375 4.463 20 5 EIBDRO CC(C)Oc1cccc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])c1 ZINC000539226373 1038893300 /nfs/dbraw/zinc/89/33/00/1038893300.db2.gz NBOCRDAAZVBQGT-HNNXBMFYSA-N 1 0 344.411 4.112 20 5 EIBDRO COc1ccccc1[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000537615049 1038896509 /nfs/dbraw/zinc/89/65/09/1038896509.db2.gz JZJKMCMWQSOMSE-QLBOMPFWSA-N 1 0 338.407 4.106 20 5 EIBDRO CC[NH+](CC)Cc1ccccc1CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000462097798 1038903773 /nfs/dbraw/zinc/90/37/73/1038903773.db2.gz RWJFYNHXXIZUIW-UHFFFAOYSA-N 1 0 343.427 4.057 20 5 EIBDRO Cc1ccc(CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)o1 ZINC000608836283 1038920656 /nfs/dbraw/zinc/92/06/56/1038920656.db2.gz AUSGMKHJRWGWHN-UHFFFAOYSA-N 1 0 326.352 4.089 20 5 EIBDRO CC[C@H](C)N(C)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000608910903 1038949818 /nfs/dbraw/zinc/94/98/18/1038949818.db2.gz VWONUVPDECSGGW-AWEZNQCLSA-N 1 0 347.484 4.143 20 5 EIBDRO CC[C@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000477946754 1039231394 /nfs/dbraw/zinc/23/13/94/1039231394.db2.gz LXXKNYBIHHUPGO-YZGWKJHDSA-N 1 0 340.423 4.413 20 5 EIBDRO COc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1C ZINC000534336656 1039347520 /nfs/dbraw/zinc/34/75/20/1039347520.db2.gz AYRXBWRVXGXZHY-UHFFFAOYSA-N 1 0 326.396 4.076 20 5 EIBDRO COCCC1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000600188681 1039350638 /nfs/dbraw/zinc/35/06/38/1039350638.db2.gz NFZAFFJKXZBALR-UHFFFAOYSA-N 1 0 344.411 4.103 20 5 EIBDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000478052786 1039360872 /nfs/dbraw/zinc/36/08/72/1039360872.db2.gz IBXAPRUPVACBBB-INIZCTEOSA-N 1 0 345.468 4.432 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]CCc2nc3c(s2)CCCC3)cccc1[N+](=O)[O-] ZINC000089667097 1039724757 /nfs/dbraw/zinc/72/47/57/1039724757.db2.gz OZTZOOAZYYYBRZ-CYBMUJFWSA-N 1 0 345.468 4.132 20 5 EIBDRO COc1ccccc1CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000505456440 1039774661 /nfs/dbraw/zinc/77/46/61/1039774661.db2.gz AJSHYBVBOYAUEM-HNNXBMFYSA-N 1 0 328.412 4.195 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCS3)s2)cc1 ZINC000237989609 1039777838 /nfs/dbraw/zinc/77/78/38/1039777838.db2.gz KACKTTDHIPZVAB-CQSZACIVSA-N 1 0 334.466 4.309 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)c1 ZINC000061043956 1039786911 /nfs/dbraw/zinc/78/69/11/1039786911.db2.gz XNZSVPKEAFVOGE-UHFFFAOYSA-N 1 0 348.402 4.464 20 5 EIBDRO COc1ccccc1C1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000482132018 1040029510 /nfs/dbraw/zinc/02/95/10/1040029510.db2.gz XTFASNIUHNOYOE-OAHLLOKOSA-N 1 0 340.423 4.294 20 5 EIBDRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000482314541 1040167136 /nfs/dbraw/zinc/16/71/36/1040167136.db2.gz KAZUFHRIVPBCSY-FCEWJHQRSA-N 1 0 339.439 4.081 20 5 EIBDRO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000467330879 1040255505 /nfs/dbraw/zinc/25/55/05/1040255505.db2.gz RLXPYGNAMBUDMR-ROUUACIJSA-N 1 0 339.439 4.157 20 5 EIBDRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000551535469 1040393641 /nfs/dbraw/zinc/39/36/41/1040393641.db2.gz XAWXUFSQZFSRDE-RYMBOPBQSA-N 1 0 340.423 4.446 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000029833348 1040465858 /nfs/dbraw/zinc/46/58/58/1040465858.db2.gz GWNOXCWIFVWUDE-HNNXBMFYSA-N 1 0 337.379 4.116 20 5 EIBDRO Cc1cccc2c(CC[NH2+]C/C=C\c3ccccc3[N+](=O)[O-])c[nH]c21 ZINC000539515875 1040496030 /nfs/dbraw/zinc/49/60/30/1040496030.db2.gz FEIVICFQQRUWEX-YVMONPNESA-N 1 0 335.407 4.230 20 5 EIBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)N(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000482892489 1040555066 /nfs/dbraw/zinc/55/50/66/1040555066.db2.gz PSFVWDLSKPOYJT-RDJZCZTQSA-N 1 0 341.455 4.074 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCCSC2)s1 ZINC000553855960 1040578025 /nfs/dbraw/zinc/57/80/25/1040578025.db2.gz LYUAJRLUXGECDS-LBPRGKRZSA-N 1 0 334.466 4.309 20 5 EIBDRO C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482949724 1040591020 /nfs/dbraw/zinc/59/10/20/1040591020.db2.gz PVVRDJBIMMJPIO-SCLBCKFNSA-N 1 0 346.452 4.401 20 5 EIBDRO CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482949537 1040591205 /nfs/dbraw/zinc/59/12/05/1040591205.db2.gz WIQQJWDBCRAFSD-STQMWFEESA-N 1 0 334.441 4.135 20 5 EIBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000160557320 1040594720 /nfs/dbraw/zinc/59/47/20/1040594720.db2.gz QNTRQAGDXULEBB-CYBMUJFWSA-N 1 0 346.452 4.371 20 5 EIBDRO C[C@@H]([NH2+]C(C)(C)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000482955523 1040601812 /nfs/dbraw/zinc/60/18/12/1040601812.db2.gz ZZAYZEOSRTVQAB-JKSUJKDBSA-N 1 0 341.455 4.375 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000483165067 1040751980 /nfs/dbraw/zinc/75/19/80/1040751980.db2.gz BEGGDRSAHYLORG-WMLDXEAASA-N 1 0 343.402 4.054 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000595050061 1040801307 /nfs/dbraw/zinc/80/13/07/1040801307.db2.gz FIPKOTGVZBLOMD-GJZGRUSLSA-N 1 0 343.427 4.060 20 5 EIBDRO Cc1ccc(C[NH2+]C[C@@H](C)Oc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000462732833 1040873798 /nfs/dbraw/zinc/87/37/98/1040873798.db2.gz FMALVOGLCMPCEI-CYBMUJFWSA-N 1 0 334.803 4.114 20 5 EIBDRO COc1ccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000462760983 1040899007 /nfs/dbraw/zinc/89/90/07/1040899007.db2.gz LBKZXTOGIZSQAG-UHFFFAOYSA-N 1 0 348.830 4.369 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)Oc2ccccc2F)cc1[N+](=O)[O-] ZINC000483613411 1040911753 /nfs/dbraw/zinc/91/17/53/1040911753.db2.gz JDNZOJHVYAYUFZ-KBPBESRZSA-N 1 0 332.375 4.160 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]C[C@H](C)Oc2ccccc2F)cccc1[N+](=O)[O-] ZINC000483613520 1040912406 /nfs/dbraw/zinc/91/24/06/1040912406.db2.gz GMLWJNPEEHDZBK-GXTWGEPZSA-N 1 0 332.375 4.160 20 5 EIBDRO COc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000483616230 1040915293 /nfs/dbraw/zinc/91/52/93/1040915293.db2.gz AXHVPOHRYDVGKH-GJZGRUSLSA-N 1 0 344.411 4.030 20 5 EIBDRO CC[C@H]([NH2+]C[C@H](C)Oc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000483623498 1040917095 /nfs/dbraw/zinc/91/70/95/1040917095.db2.gz LUPJYRDKGCMZJE-GUYCJALGSA-N 1 0 332.375 4.242 20 5 EIBDRO CC(C)[C@@H](O)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483727518 1040998010 /nfs/dbraw/zinc/99/80/10/1040998010.db2.gz OJQSKQRTYBSZGB-BBRMVZONSA-N 1 0 348.468 4.381 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)C1CC1 ZINC000436292618 1041058083 /nfs/dbraw/zinc/05/80/83/1041058083.db2.gz TUHVNQOSQYPTOS-UFYCRDLUSA-N 1 0 336.435 4.452 20 5 EIBDRO COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000554373881 1041058876 /nfs/dbraw/zinc/05/88/76/1041058876.db2.gz MZAOSFZBVCZVQG-FUHWJXTLSA-N 1 0 348.487 4.348 20 5 EIBDRO CC(C)(CCCO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000540068098 1041088524 /nfs/dbraw/zinc/08/85/24/1041088524.db2.gz SQHOMQZPSVEZMS-UHFFFAOYSA-N 1 0 348.468 4.212 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CC)[C@@H]1CCCO1 ZINC000540140186 1041161022 /nfs/dbraw/zinc/16/10/22/1041161022.db2.gz JAEYSXWBWKMXPU-YCPHGPKFSA-N 1 0 338.473 4.013 20 5 EIBDRO CCC[C@H]([NH2+][C@H]1COc2ccc(C)cc21)c1cccc([N+](=O)[O-])c1 ZINC000540158507 1041185793 /nfs/dbraw/zinc/18/57/93/1041185793.db2.gz MHIPAKKNJIIAMJ-ROUUACIJSA-N 1 0 326.396 4.468 20 5 EIBDRO CCC[C@@H]([NH2+]CC1(CCO)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000484286391 1041192001 /nfs/dbraw/zinc/19/20/01/1041192001.db2.gz DDZXAAOYMALVHO-GOSISDBHSA-N 1 0 334.460 4.359 20 5 EIBDRO Cn1cc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)c2ccc(Cl)cc21 ZINC000436402181 1041208415 /nfs/dbraw/zinc/20/84/15/1041208415.db2.gz ZXQRAAIUNRHFCD-UHFFFAOYSA-N 1 0 349.843 4.134 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1ccccc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000540170624 1041213741 /nfs/dbraw/zinc/21/37/41/1041213741.db2.gz MELIOOIZWNPZMD-GOSISDBHSA-N 1 0 327.428 4.292 20 5 EIBDRO CCc1ccc([C@@H]2CN([C@H](C)c3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000484358071 1041215878 /nfs/dbraw/zinc/21/58/78/1041215878.db2.gz YYDXCWWPAVNBHJ-QRWLVFNGSA-N 1 0 340.423 4.292 20 5 EIBDRO CCc1ccc([C@H]2CN([C@H](C)c3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000484358068 1041216002 /nfs/dbraw/zinc/21/60/02/1041216002.db2.gz YYDXCWWPAVNBHJ-FOIQADDNSA-N 1 0 340.423 4.292 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000538406205 1041303450 /nfs/dbraw/zinc/30/34/50/1041303450.db2.gz SQAVKPBECWYAJK-VBHSOAQHSA-N 1 0 332.375 4.161 20 5 EIBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000480489923 1041331870 /nfs/dbraw/zinc/33/18/70/1041331870.db2.gz LWOHNDDUCGTCPE-CQSZACIVSA-N 1 0 342.443 4.065 20 5 EIBDRO CO[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000538429649 1041334355 /nfs/dbraw/zinc/33/43/55/1041334355.db2.gz YLNQXQQXSOZRAM-JXTAAOLFSA-N 1 0 346.814 4.239 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000538429354 1041334980 /nfs/dbraw/zinc/33/49/80/1041334980.db2.gz BSEVHWLTANBYKB-MEQKGCOVSA-N 1 0 340.448 4.228 20 5 EIBDRO C[C@@H](CCOCc1ccccc1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000554721931 1041364369 /nfs/dbraw/zinc/36/43/69/1041364369.db2.gz UQZIPLQNDOATCT-GJBHZFNWSA-N 1 0 340.423 4.193 20 5 EIBDRO C[C@H](CCOCc1ccccc1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000554721932 1041364910 /nfs/dbraw/zinc/36/49/10/1041364910.db2.gz UQZIPLQNDOATCT-VDZSZVPASA-N 1 0 340.423 4.193 20 5 EIBDRO Cc1cc(NCc2ccc3ncccc3c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000480584407 1041399841 /nfs/dbraw/zinc/39/98/41/1041399841.db2.gz XRURXJIBAUAWNV-UHFFFAOYSA-N 1 0 344.374 4.034 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]C2(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000480672253 1041464997 /nfs/dbraw/zinc/46/49/97/1041464997.db2.gz SDBQJWFKGGDAHP-HNNXBMFYSA-N 1 0 340.423 4.419 20 5 EIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000480673854 1041465180 /nfs/dbraw/zinc/46/51/80/1041465180.db2.gz WVKZWIZBNFRNBE-JTQLQIEISA-N 1 0 340.210 4.190 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2COc3ccccc32)c2cc([N+](=O)[O-])ccc21 ZINC000516268542 1041491044 /nfs/dbraw/zinc/49/10/44/1041491044.db2.gz IFMJNVCOMGYOOP-FZKQIMNGSA-N 1 0 338.407 4.083 20 5 EIBDRO Cc1ccc(OCCCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000480738130 1041497775 /nfs/dbraw/zinc/49/77/75/1041497775.db2.gz QGSGGDJRFMAQEO-MRXNPFEDSA-N 1 0 328.412 4.413 20 5 EIBDRO Cc1ccc(OCCCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000480738128 1041498722 /nfs/dbraw/zinc/49/87/22/1041498722.db2.gz QGSGGDJRFMAQEO-INIZCTEOSA-N 1 0 328.412 4.413 20 5 EIBDRO Cn1cccc1[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000538725518 1041515654 /nfs/dbraw/zinc/51/56/54/1041515654.db2.gz ZYAXRUDODSWLFB-AIADIJKESA-N 1 0 325.412 4.174 20 5 EIBDRO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000540521669 1041515950 /nfs/dbraw/zinc/51/59/50/1041515950.db2.gz ZKPCORWJQVQOBZ-UHFFFAOYSA-N 1 0 348.830 4.021 20 5 EIBDRO Cc1ccccc1[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000540591147 1041547722 /nfs/dbraw/zinc/54/77/22/1041547722.db2.gz BYIGGUGGBHFSGA-IBGZPJMESA-N 1 0 326.396 4.023 20 5 EIBDRO CCO[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000516389535 1041560619 /nfs/dbraw/zinc/56/06/19/1041560619.db2.gz JCGVPWGJKYJTMC-BEFAXECRSA-N 1 0 328.412 4.332 20 5 EIBDRO CC(C)N(C)c1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000437111441 1041655459 /nfs/dbraw/zinc/65/54/59/1041655459.db2.gz QFEUOFBDVISNKW-HNNXBMFYSA-N 1 0 327.428 4.290 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000460351304 1041812571 /nfs/dbraw/zinc/81/25/71/1041812571.db2.gz AHVJUVHTSUKDKZ-OALUTQOASA-N 1 0 328.387 4.202 20 5 EIBDRO CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516980106 1041829570 /nfs/dbraw/zinc/82/95/70/1041829570.db2.gz TVQSLMOIAXXTAU-MSOLQXFVSA-N 1 0 338.407 4.258 20 5 EIBDRO CCCOc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000517246275 1041923144 /nfs/dbraw/zinc/92/31/44/1041923144.db2.gz QGDAQLKYESMBGP-SFHVURJKSA-N 1 0 326.396 4.161 20 5 EIBDRO C[N@H+](CC[C@@H]1CCCO1)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000467366361 1042049448 /nfs/dbraw/zinc/04/94/48/1042049448.db2.gz AFKQZBXVQXMOFD-AWEZNQCLSA-N 1 0 346.452 4.324 20 5 EIBDRO CC(C)[N@H+](C)CCCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000517540953 1042065476 /nfs/dbraw/zinc/06/54/76/1042065476.db2.gz RBLPZPAGDUDATL-UHFFFAOYSA-N 1 0 347.484 4.143 20 5 EIBDRO CCC[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000541696411 1042069918 /nfs/dbraw/zinc/06/99/18/1042069918.db2.gz DWIJNQKHSMHHEY-INIZCTEOSA-N 1 0 329.400 4.404 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2cccnc2)C2CCCCC2)cc1 ZINC000609134967 1042089877 /nfs/dbraw/zinc/08/98/77/1042089877.db2.gz HDHABMWQKSUDNJ-LJQANCHMSA-N 1 0 325.412 4.401 20 5 EIBDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000464731289 1042135906 /nfs/dbraw/zinc/13/59/06/1042135906.db2.gz GXRHDSPFUVMPHE-CJNGLKHVSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccccc1N(C)C(C)C ZINC000438344369 1042146607 /nfs/dbraw/zinc/14/66/07/1042146607.db2.gz GZEGYBQVXLKIQC-UHFFFAOYSA-N 1 0 327.428 4.038 20 5 EIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000464782503 1042161612 /nfs/dbraw/zinc/16/16/12/1042161612.db2.gz XJVRJYPJSRULGL-UHFFFAOYSA-N 1 0 346.814 4.292 20 5 EIBDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CS1 ZINC000426005211 1042179915 /nfs/dbraw/zinc/17/99/15/1042179915.db2.gz XMISXVQTARWOQR-JSGCOSHPSA-N 1 0 348.390 4.233 20 5 EIBDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1F ZINC000090217418 1042183861 /nfs/dbraw/zinc/18/38/61/1042183861.db2.gz FEPAXHIXGDREJW-CHWSQXEVSA-N 1 0 332.375 4.463 20 5 EIBDRO C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000464858280 1042202934 /nfs/dbraw/zinc/20/29/34/1042202934.db2.gz OMBFQHGFHCWWLV-HOCLYGCPSA-N 1 0 330.384 4.040 20 5 EIBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+](C)C2CCC2)cc1OC ZINC000541985975 1042208898 /nfs/dbraw/zinc/20/88/98/1042208898.db2.gz ZHISPBADUTXKLJ-CYBMUJFWSA-N 1 0 336.432 4.013 20 5 EIBDRO C[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C)C1 ZINC000443647008 1042214779 /nfs/dbraw/zinc/21/47/79/1042214779.db2.gz DCKFXUUDWJZZCP-CABCVRRESA-N 1 0 343.427 4.160 20 5 EIBDRO CCOc1cccc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000517962505 1042293921 /nfs/dbraw/zinc/29/39/21/1042293921.db2.gz XZPOTMBRRZEXCZ-SCLBCKFNSA-N 1 0 326.396 4.332 20 5 EIBDRO CCOc1cccc([C@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000517962506 1042294116 /nfs/dbraw/zinc/29/41/16/1042294116.db2.gz XZPOTMBRRZEXCZ-UGSOOPFHSA-N 1 0 326.396 4.332 20 5 EIBDRO COCc1cc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])ccc1OC ZINC000271777216 1042359236 /nfs/dbraw/zinc/35/92/36/1042359236.db2.gz KZNCOUZGOGOSEE-KBPBESRZSA-N 1 0 344.411 4.162 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271838529 1042435686 /nfs/dbraw/zinc/43/56/86/1042435686.db2.gz VPMXQSHEYCUFLV-CHWSQXEVSA-N 1 0 329.356 4.223 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2ccccc2F)o1 ZINC000518272512 1042446159 /nfs/dbraw/zinc/44/61/59/1042446159.db2.gz IKHYZBKBIFHKEY-UHFFFAOYSA-N 1 0 340.354 4.326 20 5 EIBDRO COc1ccc([C@H](C)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000492039371 1042541572 /nfs/dbraw/zinc/54/15/72/1042541572.db2.gz CJKCMQQJGRCBPG-CQSZACIVSA-N 1 0 328.412 4.232 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2OCCc3sccc32)cccc1[N+](=O)[O-] ZINC000426355195 1042589584 /nfs/dbraw/zinc/58/95/84/1042589584.db2.gz YOOSHYSHFIBKQR-JCGVRSQUSA-N 1 0 346.452 4.318 20 5 EIBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCS1 ZINC000426390836 1042633262 /nfs/dbraw/zinc/63/32/62/1042633262.db2.gz MBOIWDYIJLKXNX-ZDUSSCGKSA-N 1 0 332.425 4.182 20 5 EIBDRO CSc1ccc([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000439465760 1042639066 /nfs/dbraw/zinc/63/90/66/1042639066.db2.gz GUGWLJALTZWSRE-CYBMUJFWSA-N 1 0 332.425 4.046 20 5 EIBDRO CCOc1cc(C[N@H+](C)[C@@H](C)c2ccc(OC)cc2)ccc1[N+](=O)[O-] ZINC000492481482 1042667084 /nfs/dbraw/zinc/66/70/84/1042667084.db2.gz DUPWQDHEVMTOEU-AWEZNQCLSA-N 1 0 344.411 4.195 20 5 EIBDRO CCOc1cc(CN[C@@H](C)c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000492483416 1042669447 /nfs/dbraw/zinc/66/94/47/1042669447.db2.gz KLDSCJYGLHRGSR-LBPRGKRZSA-N 1 0 334.803 4.498 20 5 EIBDRO CCOc1cccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OCC)c2)c1 ZINC000492606250 1042707058 /nfs/dbraw/zinc/70/70/58/1042707058.db2.gz JJBSSYLDFHWURR-CQSZACIVSA-N 1 0 344.411 4.243 20 5 EIBDRO CCOc1cc(C[NH2+][C@@H](C)c2cccc(C)c2C)ccc1[N+](=O)[O-] ZINC000492772179 1042745282 /nfs/dbraw/zinc/74/52/82/1042745282.db2.gz NOWMMYLOAXDAFR-HNNXBMFYSA-N 1 0 328.412 4.461 20 5 EIBDRO Cc1ccc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000506706623 1042792685 /nfs/dbraw/zinc/79/26/85/1042792685.db2.gz LUHCIKBYCTUFGQ-INIZCTEOSA-N 1 0 346.452 4.146 20 5 EIBDRO Cc1ccc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000506706624 1042792720 /nfs/dbraw/zinc/79/27/20/1042792720.db2.gz LUHCIKBYCTUFGQ-MRXNPFEDSA-N 1 0 346.452 4.146 20 5 EIBDRO CO[C@@H](C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000493038868 1042799756 /nfs/dbraw/zinc/79/97/56/1042799756.db2.gz WXSTWKWVMNJIFN-OALUTQOASA-N 1 0 342.439 4.335 20 5 EIBDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000141473092 1042873952 /nfs/dbraw/zinc/87/39/52/1042873952.db2.gz SZGDYIVEQYQRQR-HNNXBMFYSA-N 1 0 344.415 4.045 20 5 EIBDRO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H]1CCCCO1 ZINC000761511674 1042874120 /nfs/dbraw/zinc/87/41/20/1042874120.db2.gz NUQBYDNYODITJH-AWEZNQCLSA-N 1 0 326.824 4.029 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2c[nH]c3ccccc23)cc1Cl ZINC000761522494 1042874494 /nfs/dbraw/zinc/87/44/94/1042874494.db2.gz ZGLMVSKZGYMICT-UHFFFAOYSA-N 1 0 343.814 4.452 20 5 EIBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)COCc1ccccc1 ZINC000761520701 1042874927 /nfs/dbraw/zinc/87/49/27/1042874927.db2.gz DRHSUZQWTOFOMB-CQSZACIVSA-N 1 0 348.830 4.191 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000441534244 1042878245 /nfs/dbraw/zinc/87/82/45/1042878245.db2.gz KBKTWYAZQKWNGV-ZWKOTPCHSA-N 1 0 345.487 4.100 20 5 EIBDRO COc1ccccc1O[C@H](C)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000129577907 1042932780 /nfs/dbraw/zinc/93/27/80/1042932780.db2.gz HINIODKASGCITB-HUUCEWRRSA-N 1 0 344.411 4.030 20 5 EIBDRO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000611554145 1043046291 /nfs/dbraw/zinc/04/62/91/1043046291.db2.gz GDKVGHJYGUSMTG-QWHCGFSZSA-N 1 0 346.349 4.027 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C)[C@@H](O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000766029238 1043059244 /nfs/dbraw/zinc/05/92/44/1043059244.db2.gz POSHQVIUHGGYDC-ZNZDAUKMSA-N 1 0 346.402 4.287 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000554947370 1043085657 /nfs/dbraw/zinc/08/56/57/1043085657.db2.gz ZENVQQQLCFXIIU-MGPUTAFESA-N 1 0 338.407 4.126 20 5 EIBDRO CCC[C@H]([NH2+]C[C@@H](O)c1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000765955978 1043118892 /nfs/dbraw/zinc/11/88/92/1043118892.db2.gz XSLSICFKWTXKAA-RBUKOAKNSA-N 1 0 328.412 4.068 20 5 EIBDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000507905944 1043191727 /nfs/dbraw/zinc/19/17/27/1043191727.db2.gz UWJGIXGGAXFYGM-OCCSQVGLSA-N 1 0 330.359 4.272 20 5 EIBDRO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163348604 1043228418 /nfs/dbraw/zinc/22/84/18/1043228418.db2.gz SHUQAKDREFPUIQ-STQMWFEESA-N 1 0 332.375 4.463 20 5 EIBDRO CC(C)(C)[NH2+]CCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000727757711 1043283888 /nfs/dbraw/zinc/28/38/88/1043283888.db2.gz VPOCQWGKWPYKBJ-UHFFFAOYSA-N 1 0 339.745 4.067 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000427984734 1043288761 /nfs/dbraw/zinc/28/87/61/1043288761.db2.gz YPFIQJYFRPHJDL-UONOGXRCSA-N 1 0 338.473 4.013 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000520958156 1043450069 /nfs/dbraw/zinc/45/00/69/1043450069.db2.gz GHKGQLAIUXHDHN-ZDUSSCGKSA-N 1 0 332.375 4.026 20 5 EIBDRO CC(C)O[C@H](C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000428251047 1043695679 /nfs/dbraw/zinc/69/56/79/1043695679.db2.gz SPTMAWJPXOXXJZ-HXUWFJFHSA-N 1 0 340.423 4.119 20 5 EIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000732212949 1043885872 /nfs/dbraw/zinc/88/58/72/1043885872.db2.gz VKYWDZOOGBICPI-ZDUSSCGKSA-N 1 0 334.778 4.377 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H]4CCC[C@H]43)o2)c1 ZINC000245450676 1043899448 /nfs/dbraw/zinc/89/94/48/1043899448.db2.gz OVWDZDQDARQAOM-WMLDXEAASA-N 1 0 341.411 4.057 20 5 EIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000040675875 1043999053 /nfs/dbraw/zinc/99/90/53/1043999053.db2.gz IDIJOYPGZQFRSI-LBPRGKRZSA-N 1 0 349.228 4.251 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000732989099 1044063315 /nfs/dbraw/zinc/06/33/15/1044063315.db2.gz ODGIDJHNYOSFBU-SFHVURJKSA-N 1 0 348.349 4.089 20 5 EIBDRO CC(C)([NH2+]CCCOCCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429244222 1044090110 /nfs/dbraw/zinc/09/01/10/1044090110.db2.gz FBOGCABFVNGZJI-UHFFFAOYSA-N 1 0 342.439 4.069 20 5 EIBDRO C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000245876365 1044197836 /nfs/dbraw/zinc/19/78/36/1044197836.db2.gz AONIDROQAIQFMO-ZDUSMZPESA-N 1 0 340.423 4.230 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000466343096 1044296819 /nfs/dbraw/zinc/29/68/19/1044296819.db2.gz IJHCVSOPAIYFTM-GBESFXJTSA-N 1 0 346.471 4.102 20 5 EIBDRO Cc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000474072776 1044351155 /nfs/dbraw/zinc/35/11/55/1044351155.db2.gz DZSRYNFHBUCTCM-MAUKXSAKSA-N 1 0 340.423 4.338 20 5 EIBDRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000190489470 1044399396 /nfs/dbraw/zinc/39/93/96/1044399396.db2.gz KXUUBJNKRAMCNH-UHFFFAOYSA-N 1 0 339.395 4.107 20 5 EIBDRO COc1ccccc1/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000466450360 1044509371 /nfs/dbraw/zinc/50/93/71/1044509371.db2.gz UNZAEGBDUCSZKC-XQRVVYSFSA-N 1 0 332.787 4.060 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1(c3cccc(F)c3)CC1)CCC2 ZINC000193092785 1044512448 /nfs/dbraw/zinc/51/24/48/1044512448.db2.gz GIUCUOCTKFCYFR-SFHVURJKSA-N 1 0 326.371 4.390 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]CCc2ccc(F)c(F)c2F)cccc1[N+](=O)[O-] ZINC000543429955 1044594092 /nfs/dbraw/zinc/59/40/92/1044594092.db2.gz RLYFJYULNABKCG-LLVKDONJSA-N 1 0 338.329 4.214 20 5 EIBDRO C[N@@H+]1CCC[C@@H](CNc2sccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301998251 1044663153 /nfs/dbraw/zinc/66/31/53/1044663153.db2.gz IFRBMDFWHJLNBH-SMDDNHRTSA-N 1 0 337.470 4.213 20 5 EIBDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000301997275 1044666530 /nfs/dbraw/zinc/66/65/30/1044666530.db2.gz QDNYPWQOSDXJHR-UHFFFAOYSA-N 1 0 345.468 4.005 20 5 EIBDRO COc1ccc(CC[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000326185079 1044682231 /nfs/dbraw/zinc/68/22/31/1044682231.db2.gz KNZCDXYOIFVRCS-AWEZNQCLSA-N 1 0 328.412 4.023 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000474151110 1044696568 /nfs/dbraw/zinc/69/65/68/1044696568.db2.gz DLVBALOKVAWOSZ-UHFFFAOYSA-N 1 0 325.412 4.111 20 5 EIBDRO COc1ccccc1/C=C/C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000237296328 1044731195 /nfs/dbraw/zinc/73/11/95/1044731195.db2.gz SYYKMOSAYLPWOZ-SOFGYWHQSA-N 1 0 326.396 4.142 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2c[nH]nc2-c2ccccc2)C2CC2)c1 ZINC000154280394 1044757496 /nfs/dbraw/zinc/75/74/96/1044757496.db2.gz MGKZFEYKDDAFGA-UHFFFAOYSA-N 1 0 348.406 4.150 20 5 EIBDRO COc1ccc(C2CC2)cc1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895539108 1044803552 /nfs/dbraw/zinc/80/35/52/1044803552.db2.gz OWBHMDZALBXTNE-UHFFFAOYSA-N 1 0 346.814 4.424 20 5 EIBDRO COCC1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000093103605 1044820664 /nfs/dbraw/zinc/82/06/64/1044820664.db2.gz DQQLXIIWXMUHIG-UHFFFAOYSA-N 1 0 346.452 4.182 20 5 EIBDRO C[C@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000555226029 1044834643 /nfs/dbraw/zinc/83/46/43/1044834643.db2.gz OPBUFTQMRNSYKT-UGSOOPFHSA-N 1 0 347.846 4.202 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc(OC)c(OC)c1 ZINC000276933777 1044840524 /nfs/dbraw/zinc/84/05/24/1044840524.db2.gz SPHPGADJAQWYDD-MRXNPFEDSA-N 1 0 344.411 4.161 20 5 EIBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Cc1nccs1 ZINC000093582168 1044844934 /nfs/dbraw/zinc/84/49/34/1044844934.db2.gz RERYBHIYWWXHEE-UHFFFAOYSA-N 1 0 345.449 4.412 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@H](C)CCCc2cccnc2)cccc1[N+](=O)[O-] ZINC000414158739 1044845625 /nfs/dbraw/zinc/84/56/25/1044845625.db2.gz UUQWYUICDQLYKX-GDBMZVCRSA-N 1 0 327.428 4.360 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC000716233011 1044857471 /nfs/dbraw/zinc/85/74/71/1044857471.db2.gz TYZRNLKQBIXQFC-APWZRJJASA-N 1 0 339.439 4.226 20 5 EIBDRO C[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1Cl ZINC000509346043 1044992277 /nfs/dbraw/zinc/99/22/77/1044992277.db2.gz UVGPKNVKMFFBQP-SECBINFHSA-N 1 0 326.730 4.377 20 5 EIBDRO CC(C)(C)[C@@H]([NH2+]Cn1ncc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000915044994 1044998590 /nfs/dbraw/zinc/99/85/90/1044998590.db2.gz NCRMYHRSXXUWES-SFHVURJKSA-N 1 0 338.411 4.279 20 5 EIBDRO CC(C)Oc1ccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000391997804 1045004469 /nfs/dbraw/zinc/00/44/69/1045004469.db2.gz KPRWKXYIXJEXAO-OAHLLOKOSA-N 1 0 328.412 4.275 20 5 EIBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc2ccccc2c2cccnc12 ZINC000347914826 1045015169 /nfs/dbraw/zinc/01/51/69/1045015169.db2.gz NGEGFZQDNDZQMY-UHFFFAOYSA-N 1 0 349.478 4.192 20 5 EIBDRO CC(C)[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000495435287 1045095982 /nfs/dbraw/zinc/09/59/82/1045095982.db2.gz VPWCBPMSCKZMOU-KRWDZBQOSA-N 1 0 333.819 4.173 20 5 EIBDRO CCC[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000495432789 1045098559 /nfs/dbraw/zinc/09/85/59/1045098559.db2.gz LHVSFZPPSXUGDR-OAHLLOKOSA-N 1 0 333.819 4.317 20 5 EIBDRO C[N@H+](CCc1cccc(Nc2ncc([N+](=O)[O-])cc2Cl)c1)C1CC1 ZINC000302011636 1045153812 /nfs/dbraw/zinc/15/38/12/1045153812.db2.gz YVYXMRVLIWITPP-UHFFFAOYSA-N 1 0 346.818 4.024 20 5 EIBDRO CCCO[C@@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000302067009 1045159490 /nfs/dbraw/zinc/15/94/90/1045159490.db2.gz BANYOLJGWYIALN-MRXNPFEDSA-N 1 0 343.427 4.237 20 5 EIBDRO Cc1cc(N[C@H]2CCO[C@@H]2c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302167816 1045165672 /nfs/dbraw/zinc/16/56/72/1045165672.db2.gz LJPHQXQKLVDCIE-AZUAARDMSA-N 1 0 349.390 4.394 20 5 EIBDRO COc1ccc2c(c1)CN(c1cc(C)[nH+]c3ccc([N+](=O)[O-])cc31)CC2 ZINC000302188283 1045168261 /nfs/dbraw/zinc/16/82/61/1045168261.db2.gz QGKYJRBJZMDMCU-UHFFFAOYSA-N 1 0 349.390 4.023 20 5 EIBDRO Cc1cccc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000302490421 1045180436 /nfs/dbraw/zinc/18/04/36/1045180436.db2.gz JVOIPEWWYHTLLN-KBXCAEBGSA-N 1 0 345.468 4.460 20 5 EIBDRO C[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000611081091 1045249889 /nfs/dbraw/zinc/24/98/89/1045249889.db2.gz NQTPDBUAGJISAX-HHXXYDBFSA-N 1 0 339.439 4.094 20 5 EIBDRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000611081110 1045250504 /nfs/dbraw/zinc/25/05/04/1045250504.db2.gz USXBTOOPDSUSFT-YLQAJVPDSA-N 1 0 343.427 4.262 20 5 EIBDRO C[C@H](N[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000556132940 1045253292 /nfs/dbraw/zinc/25/32/92/1045253292.db2.gz UWVFVPMGONKCTR-KNBMTAEXSA-N 1 0 339.439 4.081 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cnccc2C)cc1[N+](=O)[O-] ZINC000611299977 1045276875 /nfs/dbraw/zinc/27/68/75/1045276875.db2.gz WQAQYKLSGXFCML-KGLIPLIRSA-N 1 0 329.400 4.109 20 5 EIBDRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000611299882 1045278242 /nfs/dbraw/zinc/27/82/42/1045278242.db2.gz MSRZJMWUUZABDD-FCEWJHQRSA-N 1 0 339.439 4.360 20 5 EIBDRO CCC1(O)CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000611314626 1045280115 /nfs/dbraw/zinc/28/01/15/1045280115.db2.gz UXQKQEVDOBKEBI-UHFFFAOYSA-N 1 0 344.411 4.028 20 5 EIBDRO COc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000611335832 1045281527 /nfs/dbraw/zinc/28/15/27/1045281527.db2.gz RUNIBBFEMVEHBF-CXAGYDPISA-N 1 0 342.395 4.086 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](c1cnn(C)c1)C(C)(C)C ZINC000611409287 1045302479 /nfs/dbraw/zinc/30/24/79/1045302479.db2.gz IOLYYIQDHUPQFX-KSSFIOAISA-N 1 0 344.459 4.026 20 5 EIBDRO CC[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCCC1 ZINC000611433807 1045305671 /nfs/dbraw/zinc/30/56/71/1045305671.db2.gz WWXNAHXGMDCDDM-MRXNPFEDSA-N 1 0 344.415 4.093 20 5 EIBDRO C[C@H]([NH2+]C1(CCOCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000611477024 1045316086 /nfs/dbraw/zinc/31/60/86/1045316086.db2.gz LZPJCVDYEPNMNG-INIZCTEOSA-N 1 0 340.423 4.385 20 5 EIBDRO COc1cc(C[NH2+][C@H](CC2CC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000611517021 1045320581 /nfs/dbraw/zinc/32/05/81/1045320581.db2.gz DVCAIUJCAAQMIA-QGZVFWFLSA-N 1 0 326.396 4.234 20 5 EIBDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000326367039 1045496749 /nfs/dbraw/zinc/49/67/49/1045496749.db2.gz IUCLNFFZRWTMRZ-SFHVURJKSA-N 1 0 326.396 4.079 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)COc2ccccc2)cc1[N+](=O)[O-] ZINC000768100823 1045714113 /nfs/dbraw/zinc/71/41/13/1045714113.db2.gz ZATYMPIWTAVVOV-HUUCEWRRSA-N 1 0 344.411 4.112 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCSC ZINC000768102945 1045716374 /nfs/dbraw/zinc/71/63/74/1045716374.db2.gz RMWXZVXNPZDTHX-STQMWFEESA-N 1 0 328.503 4.197 20 5 EIBDRO Cc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1[N+](=O)[O-] ZINC000768337666 1045793958 /nfs/dbraw/zinc/79/39/58/1045793958.db2.gz JADAOUPEKBJLHJ-UHFFFAOYSA-N 1 0 343.383 4.222 20 5 EIBDRO O=[N+]([O-])c1cc(C[N@H+](CCC(F)(F)F)CC2CC2)ccc1Cl ZINC000768548589 1045822853 /nfs/dbraw/zinc/82/28/53/1045822853.db2.gz HGYKGCWEXGNFTP-UHFFFAOYSA-N 1 0 336.741 4.413 20 5 EIBDRO CC1CC[NH+](CCCCNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000301114275 1045834118 /nfs/dbraw/zinc/83/41/18/1045834118.db2.gz SVYUQHNJOQPUFK-UHFFFAOYSA-N 1 0 342.443 4.067 20 5 EIBDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000301121216 1045895385 /nfs/dbraw/zinc/89/53/85/1045895385.db2.gz WZCSVLRDITUBKI-OAHLLOKOSA-N 1 0 342.443 4.067 20 5 EIBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(F)c1 ZINC000301131854 1045949549 /nfs/dbraw/zinc/94/95/49/1045949549.db2.gz ZRIVBQSQPUNCQB-ZDUSSCGKSA-N 1 0 349.431 4.120 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC001170297399 1045982539 /nfs/dbraw/zinc/98/25/39/1045982539.db2.gz NOOIBNLJVKHDPW-RDTXWAMCSA-N 1 0 328.412 4.275 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]C(C)(C)c2ccccc2F)c([N+](=O)[O-])c1 ZINC001170318652 1045996899 /nfs/dbraw/zinc/99/68/99/1045996899.db2.gz QWQQPPGFNUDVIW-CYBMUJFWSA-N 1 0 346.402 4.198 20 5 EIBDRO CC[N@H+](Cc1ccccc1)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170329377 1046003059 /nfs/dbraw/zinc/00/30/59/1046003059.db2.gz PPMBYHAZKQKNES-OAHLLOKOSA-N 1 0 328.412 4.057 20 5 EIBDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000747100361 1046137642 /nfs/dbraw/zinc/13/76/42/1046137642.db2.gz ZATZZHCKYQLTKH-HUUCEWRRSA-N 1 0 328.412 4.194 20 5 EIBDRO c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000770303677 1046176989 /nfs/dbraw/zinc/17/69/89/1046176989.db2.gz IPGGPHZVTKCETO-DHIUTWEWSA-N 1 0 347.458 4.373 20 5 EIBDRO CCC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000793243561 1046190133 /nfs/dbraw/zinc/19/01/33/1046190133.db2.gz SNSOPQUHZSIUPV-NYVSTNCNSA-N 1 0 340.423 4.100 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cccnc3F)s2)cc1 ZINC000793282596 1046203198 /nfs/dbraw/zinc/20/31/98/1046203198.db2.gz WPWKRMKPRAWTFS-UHFFFAOYSA-N 1 0 343.383 4.147 20 5 EIBDRO CCC[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1cccc([N+](=O)[O-])c1 ZINC000130467786 1046333608 /nfs/dbraw/zinc/33/36/08/1046333608.db2.gz MAAIQCLATKKPKC-ZWKOTPCHSA-N 1 0 326.396 4.419 20 5 EIBDRO CC[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000536680624 1046667708 /nfs/dbraw/zinc/66/77/08/1046667708.db2.gz XPASWROXVMKEBO-OAHLLOKOSA-N 1 0 342.443 4.007 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459630275 1046820297 /nfs/dbraw/zinc/82/02/97/1046820297.db2.gz ASTXUCUNPZGUSX-JKSUJKDBSA-N 1 0 327.428 4.360 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000459652347 1046837681 /nfs/dbraw/zinc/83/76/81/1046837681.db2.gz QIDKHJRPBQGZTJ-OLZOCXBDSA-N 1 0 345.468 4.212 20 5 EIBDRO COc1ccc([C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C2CC2)cc1 ZINC000746656189 1046925854 /nfs/dbraw/zinc/92/58/54/1046925854.db2.gz URPZFLUXJOQMEZ-GOSISDBHSA-N 1 0 346.814 4.498 20 5 EIBDRO COc1ccccc1[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746671960 1046979948 /nfs/dbraw/zinc/97/99/48/1046979948.db2.gz CTBLYECDGKWXSA-ZDUSSCGKSA-N 1 0 346.814 4.246 20 5 EIBDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001170084547 1047184098 /nfs/dbraw/zinc/18/40/98/1047184098.db2.gz BWZIUQKAQXUIBP-DNVCBOLYSA-N 1 0 326.396 4.057 20 5 EIBDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788481041 1047197660 /nfs/dbraw/zinc/19/76/60/1047197660.db2.gz OZRFBGAUOQMYPC-WFASDCNBSA-N 1 0 332.350 4.251 20 5 EIBDRO Cc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000788504197 1047207220 /nfs/dbraw/zinc/20/72/20/1047207220.db2.gz BRYZGPOEHVRPOK-ORAYPTAESA-N 1 0 325.412 4.287 20 5 EIBDRO Cc1c(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)oc2ccccc12 ZINC000788603699 1047245678 /nfs/dbraw/zinc/24/56/78/1047245678.db2.gz GCRGOCBWARSMOZ-GFCCVEGCSA-N 1 0 325.368 4.082 20 5 EIBDRO C[C@H]([NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788624900 1047253800 /nfs/dbraw/zinc/25/38/00/1047253800.db2.gz HZLUMRFHAYZYEF-SYTFOFBDSA-N 1 0 343.402 4.290 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000152560265 1047343327 /nfs/dbraw/zinc/34/33/27/1047343327.db2.gz GNADRHBWGFMWOF-LBPRGKRZSA-N 1 0 334.803 4.498 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000897746488 1047481503 /nfs/dbraw/zinc/48/15/03/1047481503.db2.gz LGOTXVWPSBCSPB-YHWZYXNKSA-N 1 0 346.374 4.130 20 5 EIBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000807988123 1047564932 /nfs/dbraw/zinc/56/49/32/1047564932.db2.gz LFMGOHQRSGRWRZ-UHFFFAOYSA-N 1 0 345.443 4.006 20 5 EIBDRO Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CCCO2 ZINC000089513334 1047772168 /nfs/dbraw/zinc/77/21/68/1047772168.db2.gz GEXBXHUIKLUUDM-SFHVURJKSA-N 1 0 326.396 4.215 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000089512290 1047776133 /nfs/dbraw/zinc/77/61/33/1047776133.db2.gz FFLWPADVVJNTPT-OAHLLOKOSA-N 1 0 336.338 4.437 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c1 ZINC000808451545 1047921431 /nfs/dbraw/zinc/92/14/31/1047921431.db2.gz RVCUMTQXEXXPNB-SJLPKXTDSA-N 1 0 346.814 4.258 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ccc(Cl)nc3)C2)cc1 ZINC000824820805 1047963673 /nfs/dbraw/zinc/96/36/73/1047963673.db2.gz NNLUYPFPZGTBFV-OAHLLOKOSA-N 1 0 331.803 4.023 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000808721430 1048068238 /nfs/dbraw/zinc/06/82/38/1048068238.db2.gz MKCOPMZXQWFXLS-JVPBZIDWSA-N 1 0 328.412 4.148 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H](O)c1ccccc1 ZINC000808721195 1048069708 /nfs/dbraw/zinc/06/97/08/1048069708.db2.gz JGURAIHAAJCEOH-MJXNMMHHSA-N 1 0 340.423 4.029 20 5 EIBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)nc1 ZINC000808728297 1048075408 /nfs/dbraw/zinc/07/54/08/1048075408.db2.gz NMQKPLWZHFBEDA-NSHDSACASA-N 1 0 344.802 4.018 20 5 EIBDRO CC(C)=CC(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001143926613 1048294600 /nfs/dbraw/zinc/29/46/00/1048294600.db2.gz ZVGBJFVNQXTYFL-UHFFFAOYSA-N 1 0 343.386 4.470 20 5 EIBDRO CCC[N@H+](CCc1ccccn1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000809734519 1048483552 /nfs/dbraw/zinc/48/35/52/1048483552.db2.gz JBKXPSHCNNLCDF-UHFFFAOYSA-N 1 0 333.819 4.098 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815556349 1048507273 /nfs/dbraw/zinc/50/72/73/1048507273.db2.gz SZFFHAZGMHVGIM-SNVBAGLBSA-N 1 0 339.317 4.047 20 5 EIBDRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815561443 1048509317 /nfs/dbraw/zinc/50/93/17/1048509317.db2.gz HOANAUDXXDSEDY-LRDDRELGSA-N 1 0 343.427 4.443 20 5 EIBDRO COc1ccc([C@@H](C)CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000815583351 1048520655 /nfs/dbraw/zinc/52/06/55/1048520655.db2.gz CYLFYLWBYQJHRO-UONOGXRCSA-N 1 0 343.427 4.030 20 5 EIBDRO CCOc1ccccc1[C@@H](CC)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815572695 1048535751 /nfs/dbraw/zinc/53/57/51/1048535751.db2.gz KVUOIUUFDMEUKQ-CXAGYDPISA-N 1 0 343.427 4.378 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc2sccc2c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627900 1048553404 /nfs/dbraw/zinc/55/34/04/1048553404.db2.gz MKMWYFPKLWLDER-NSHDSACASA-N 1 0 327.409 4.243 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCOCC1 ZINC000809972640 1048593325 /nfs/dbraw/zinc/59/33/25/1048593325.db2.gz AMMCNXLXZYWXOU-CQSZACIVSA-N 1 0 347.242 4.196 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000810169012 1048652175 /nfs/dbraw/zinc/65/21/75/1048652175.db2.gz IGYMMXFIRBPRCM-AEFFLSMTSA-N 1 0 346.814 4.258 20 5 EIBDRO Cc1csc([C@H]2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000195328863 1048653705 /nfs/dbraw/zinc/65/37/05/1048653705.db2.gz VPQOIYZFELTWJW-ZFWWWQNUSA-N 1 0 331.441 4.300 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000846038096 1048802612 /nfs/dbraw/zinc/80/26/12/1048802612.db2.gz PBAPQPGOONTAOP-ALTKIIGISA-N 1 0 326.799 4.292 20 5 EIBDRO O=C1C[C@@H](C[NH2+]Cc2c3ccccc3cc3ccccc32)CN1C1CC1 ZINC000846076239 1048809257 /nfs/dbraw/zinc/80/92/57/1048809257.db2.gz HZNGKJCMVBVJGJ-INIZCTEOSA-N 1 0 344.458 4.094 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)cc1[N+](=O)[O-] ZINC000846186300 1048838754 /nfs/dbraw/zinc/83/87/54/1048838754.db2.gz WFYJIQALIWSYMN-XZJROXQQSA-N 1 0 344.814 4.349 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)cc1[N+](=O)[O-] ZINC000846186299 1048838834 /nfs/dbraw/zinc/83/88/34/1048838834.db2.gz WFYJIQALIWSYMN-UVBJJODRSA-N 1 0 344.814 4.349 20 5 EIBDRO CC[C@@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001171285917 1049057404 /nfs/dbraw/zinc/05/74/04/1049057404.db2.gz GEKFXVKYFRWZQW-WCQYABFASA-N 1 0 341.249 4.272 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCCSC1 ZINC000811507522 1049120067 /nfs/dbraw/zinc/12/00/67/1049120067.db2.gz FTKJFRJNJUOBHT-SECBINFHSA-N 1 0 335.256 4.134 20 5 EIBDRO CC(C)C[C@H](CNc1cccnc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000609513151 1049127211 /nfs/dbraw/zinc/12/72/11/1049127211.db2.gz DVXIAYPCIIKHOK-NVXWUHKLSA-N 1 0 342.443 4.167 20 5 EIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000609541273 1049142965 /nfs/dbraw/zinc/14/29/65/1049142965.db2.gz BMONSHQMTKJBJW-CYBMUJFWSA-N 1 0 334.778 4.377 20 5 EIBDRO [NH3+]CCc1cc2ccccc2n1-c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001171305755 1049155876 /nfs/dbraw/zinc/15/58/76/1049155876.db2.gz YPLWDTLQGNUXQB-UHFFFAOYSA-N 1 0 349.312 4.059 20 5 EIBDRO Cc1c(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000609800593 1049328154 /nfs/dbraw/zinc/32/81/54/1049328154.db2.gz PGBBGMSCEXHMAH-GOSISDBHSA-N 1 0 328.437 4.193 20 5 EIBDRO COc1ccc(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000609916147 1049397181 /nfs/dbraw/zinc/39/71/81/1049397181.db2.gz AHUVLXNLCDYKHP-XJKSGUPXSA-N 1 0 344.386 4.121 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000773096401 1049577549 /nfs/dbraw/zinc/57/75/49/1049577549.db2.gz VLHRHFOPHLWRKR-KXBFYZLASA-N 1 0 340.423 4.068 20 5 EIBDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000036999555 1049653261 /nfs/dbraw/zinc/65/32/61/1049653261.db2.gz PJQMZTZULIYPDF-LBPRGKRZSA-N 1 0 349.228 4.078 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)c1 ZINC000237832125 1049777980 /nfs/dbraw/zinc/77/79/80/1049777980.db2.gz OAIAXJGXMDOGJG-UHFFFAOYSA-N 1 0 329.787 4.062 20 5 EIBDRO C[C@H]([NH2+]CCCO[C@@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000216752550 1049864025 /nfs/dbraw/zinc/86/40/25/1049864025.db2.gz IAEQYTHVYJNMQG-HOTGVXAUSA-N 1 0 328.412 4.413 20 5 EIBDRO [NH3+]CCc1cn([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c2ccccc12 ZINC001172896852 1050200915 /nfs/dbraw/zinc/20/09/15/1050200915.db2.gz SRRVIWHPTJPQEO-SFHVURJKSA-N 1 0 349.434 4.171 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(Cl)s1)CC2 ZINC001172899583 1050203322 /nfs/dbraw/zinc/20/33/22/1050203322.db2.gz OFIAFZJYADHCCY-ZDUSSCGKSA-N 1 0 336.844 4.347 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C13CC4CC(CC(C4)C1)C3)CC2 ZINC001172899670 1050203478 /nfs/dbraw/zinc/20/34/78/1050203478.db2.gz OSXOQBKNIMRLAR-KXDMBUCYSA-N 1 0 340.467 4.401 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(Cl)cc1)CC2 ZINC001172899391 1050203506 /nfs/dbraw/zinc/20/35/06/1050203506.db2.gz WOKYPSFSEQYLDJ-QGZVFWFLSA-N 1 0 330.815 4.285 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCCc1cccs1)CC2 ZINC001172899678 1050203533 /nfs/dbraw/zinc/20/35/33/1050203533.db2.gz OUISSFIKVGVLGU-MRXNPFEDSA-N 1 0 330.453 4.126 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccccc1Cl)CC2 ZINC001172899056 1050203980 /nfs/dbraw/zinc/20/39/80/1050203980.db2.gz SQPXSOLLNUVNBP-MRXNPFEDSA-N 1 0 330.815 4.285 20 5 EIBDRO Cc1ccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c(F)c1 ZINC001172900984 1050204641 /nfs/dbraw/zinc/20/46/41/1050204641.db2.gz IEBQDGYNKQWYDY-QGZVFWFLSA-N 1 0 328.387 4.080 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cc3ccccc3o1)CC2 ZINC001172913662 1050231461 /nfs/dbraw/zinc/23/14/61/1050231461.db2.gz YHIYKFQKCYPLII-QGZVFWFLSA-N 1 0 336.391 4.378 20 5 EIBDRO CC1(C)CC([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC(C)(C)O1 ZINC001172913615 1050231475 /nfs/dbraw/zinc/23/14/75/1050231475.db2.gz XSGZSNVKPZBKEG-INIZCTEOSA-N 1 0 346.471 4.168 20 5 EIBDRO C[N@H+](CCc1ccc(F)cc1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914837 1050232324 /nfs/dbraw/zinc/23/23/24/1050232324.db2.gz JYFMYKMISSBPHI-IBGZPJMESA-N 1 0 342.414 4.156 20 5 EIBDRO Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC001177519915 1050235940 /nfs/dbraw/zinc/23/59/40/1050235940.db2.gz RSVFBOJTPJBJEA-RBUKOAKNSA-N 1 0 344.386 4.052 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1(c3cccc(F)c3)CC1)CC2 ZINC001172912089 1050244829 /nfs/dbraw/zinc/24/48/29/1050244829.db2.gz LUDHIFZAJBQVDU-GOSISDBHSA-N 1 0 340.398 4.260 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1(c3cccc(F)c3)CC1)CC2 ZINC001172912093 1050245215 /nfs/dbraw/zinc/24/52/15/1050245215.db2.gz LUDHIFZAJBQVDU-SFHVURJKSA-N 1 0 340.398 4.260 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C)c2ccccc2)c1F ZINC001173176181 1050335529 /nfs/dbraw/zinc/33/55/29/1050335529.db2.gz DUBVQMFTHKILCW-QWHCGFSZSA-N 1 0 332.375 4.024 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCCCC2(C)C)c1F ZINC001173177479 1050335560 /nfs/dbraw/zinc/33/55/60/1050335560.db2.gz ATBISKHSPVKCQD-BLLLJJGKSA-N 1 0 338.423 4.232 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CCCC[C@H]2C)c1F ZINC001173176011 1050336083 /nfs/dbraw/zinc/33/60/83/1050336083.db2.gz FNUCKMQUDZRIOA-HZSPNIEDSA-N 1 0 338.423 4.089 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C(C)(C)CC(C)(C)C)c1F ZINC001173190194 1050336837 /nfs/dbraw/zinc/33/68/37/1050336837.db2.gz VMOAHHSXGKZJDS-GFCCVEGCSA-N 1 0 340.439 4.478 20 5 EIBDRO CCC[N@H+]([C@H](C)CC)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184196 1050338121 /nfs/dbraw/zinc/33/81/21/1050338121.db2.gz LWMPVTJAJRFYLD-OLZOCXBDSA-N 1 0 326.412 4.184 20 5 EIBDRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173183645 1050338294 /nfs/dbraw/zinc/33/82/94/1050338294.db2.gz CPMYBGZRMZTPCS-AVGNSLFASA-N 1 0 326.412 4.088 20 5 EIBDRO CCCC[N@H+](CCC)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173188506 1050338345 /nfs/dbraw/zinc/33/83/45/1050338345.db2.gz GCFIWXQMUQMWHQ-CYBMUJFWSA-N 1 0 326.412 4.186 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)Cc1ccccc1F ZINC001173217971 1050350575 /nfs/dbraw/zinc/35/05/75/1050350575.db2.gz HYTCBMDKLMYJKJ-AWEZNQCLSA-N 1 0 330.403 4.276 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC001173220878 1050355055 /nfs/dbraw/zinc/35/50/55/1050355055.db2.gz HNUJIVHOJOQRMB-CQSZACIVSA-N 1 0 328.387 4.334 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2cccs2)CC1 ZINC001173226833 1050358168 /nfs/dbraw/zinc/35/81/68/1050358168.db2.gz LWCLOCRPCHFTBY-AWEZNQCLSA-N 1 0 330.453 4.467 20 5 EIBDRO COc1ccc([C@@H]2CC[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001173230755 1050359371 /nfs/dbraw/zinc/35/93/71/1050359371.db2.gz FLLMWHYCTNXUBO-MAUKXSAKSA-N 1 0 340.423 4.024 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2cccc(Cl)c2C1 ZINC001173231488 1050359854 /nfs/dbraw/zinc/35/98/54/1050359854.db2.gz LNKWWTMHWIJZFY-CYBMUJFWSA-N 1 0 330.815 4.238 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC001173234232 1050362974 /nfs/dbraw/zinc/36/29/74/1050362974.db2.gz QGPTUCLOBZDTOO-CYBMUJFWSA-N 1 0 330.815 4.238 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(Br)cc1 ZINC001173214148 1050372947 /nfs/dbraw/zinc/37/29/47/1050372947.db2.gz MIVNDLWZQFTWJJ-LBPRGKRZSA-N 1 0 349.228 4.078 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(CC(C)C)nc1)c1cccc([N+](=O)[O-])c1 ZINC001178365937 1050453373 /nfs/dbraw/zinc/45/33/73/1050453373.db2.gz VEHMMMHPBDQWCG-IBGZPJMESA-N 1 0 327.428 4.429 20 5 EIBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001187034834 1050474696 /nfs/dbraw/zinc/47/46/96/1050474696.db2.gz OCWGAYQDMVZXTC-GFCCVEGCSA-N 1 0 345.365 4.146 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001178519566 1050488912 /nfs/dbraw/zinc/48/89/12/1050488912.db2.gz YHMHHXMTPBAEMR-SJLPKXTDSA-N 1 0 340.423 4.104 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ccc2cnccc2c1 ZINC000618728659 1050491350 /nfs/dbraw/zinc/49/13/50/1050491350.db2.gz PRBLBFFVRPBDET-UHFFFAOYSA-N 1 0 341.798 4.129 20 5 EIBDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC001178524287 1050491799 /nfs/dbraw/zinc/49/17/99/1050491799.db2.gz HVVIXNBDZHLNKN-GOSISDBHSA-N 1 0 348.446 4.313 20 5 EIBDRO Nc1ccc2cc3ccc(Nc4cc(F)cc(CO)c4)cc3[nH+]c2c1 ZINC001212748792 1050523008 /nfs/dbraw/zinc/52/30/08/1050523008.db2.gz HZFHDYRLCHJSOY-UHFFFAOYSA-N 1 0 333.366 4.345 20 5 EIBDRO COc1ccc(C)cc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618985547 1050611846 /nfs/dbraw/zinc/61/18/46/1050611846.db2.gz JOQIQGWYXMVJDW-GOSISDBHSA-N 1 0 340.423 4.424 20 5 EIBDRO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618984239 1050612068 /nfs/dbraw/zinc/61/20/68/1050612068.db2.gz ALLLLDVHVUISSR-QFYYESIMSA-N 1 0 329.400 4.273 20 5 EIBDRO Cc1cncc(CC[NH2+]Cc2c3ccccc3cc3ccccc32)n1 ZINC001179169199 1050647241 /nfs/dbraw/zinc/64/72/41/1050647241.db2.gz SQZAGHIVUIFDSL-UHFFFAOYSA-N 1 0 327.431 4.424 20 5 EIBDRO CC[NH+](CC)CC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001187926545 1050650075 /nfs/dbraw/zinc/65/00/75/1050650075.db2.gz LMWNNQNIOGUMQD-LLVKDONJSA-N 1 0 333.354 4.146 20 5 EIBDRO CC(C)c1ccc(C[NH2+]CC[C@@H]2CCC(C)(C)CO2)cc1[N+](=O)[O-] ZINC001179685535 1050747338 /nfs/dbraw/zinc/74/73/38/1050747338.db2.gz NEYWFYKGHWGERT-INIZCTEOSA-N 1 0 334.460 4.403 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H]1CCC(C)(C)CO1 ZINC001179686396 1050747658 /nfs/dbraw/zinc/74/76/58/1050747658.db2.gz XLKISJXTSMPHSF-VHUCWBOISA-N 1 0 332.444 4.183 20 5 EIBDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000182594360 1050759961 /nfs/dbraw/zinc/75/99/61/1050759961.db2.gz PUYZOHUSQHHFGE-IAGOWNOFSA-N 1 0 334.803 4.023 20 5 EIBDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000182594322 1050760071 /nfs/dbraw/zinc/76/00/71/1050760071.db2.gz PUYZOHUSQHHFGE-SJORKVTESA-N 1 0 334.803 4.023 20 5 EIBDRO C[C@@H]1Cc2cc(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)ccc2O1 ZINC001179909033 1050832141 /nfs/dbraw/zinc/83/21/41/1050832141.db2.gz AVKMODGXMUKDQD-CQSZACIVSA-N 1 0 338.407 4.083 20 5 EIBDRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC001180310651 1050946645 /nfs/dbraw/zinc/94/66/45/1050946645.db2.gz NPOAIVYZQXPOGO-INIZCTEOSA-N 1 0 348.830 4.368 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC001180318058 1050951200 /nfs/dbraw/zinc/95/12/00/1050951200.db2.gz VNMPHBGSRLGRTL-QGZVFWFLSA-N 1 0 340.423 4.113 20 5 EIBDRO Cc1cccc(C[C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001180349994 1050965906 /nfs/dbraw/zinc/96/59/06/1050965906.db2.gz SBIWGXDBBXJOJG-AWEZNQCLSA-N 1 0 332.831 4.320 20 5 EIBDRO C[NH+]1CCC(COc2ccccc2Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001174480886 1051020738 /nfs/dbraw/zinc/02/07/38/1051020738.db2.gz WZFRSIQFJHGCRW-UHFFFAOYSA-N 1 0 341.411 4.059 20 5 EIBDRO CC[C@@H]1CC[C@@H](C)[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001174622525 1051088742 /nfs/dbraw/zinc/08/87/42/1051088742.db2.gz KUVUOVSECUBYGX-ZIAGYGMSSA-N 1 0 329.400 4.260 20 5 EIBDRO CCC[C@@H]([NH2+]CCCc1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000183493039 1051134807 /nfs/dbraw/zinc/13/48/07/1051134807.db2.gz NVHVEGFAYFSNAU-LJQANCHMSA-N 1 0 344.459 4.009 20 5 EIBDRO CCC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC001190570779 1051218041 /nfs/dbraw/zinc/21/80/41/1051218041.db2.gz JMOHZHHTMRPXJC-LJQANCHMSA-N 1 0 326.396 4.200 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC001191244099 1051409701 /nfs/dbraw/zinc/40/97/01/1051409701.db2.gz GMWNQUJETVYDFE-UGSOOPFHSA-N 1 0 344.386 4.326 20 5 EIBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001203370406 1051425366 /nfs/dbraw/zinc/42/53/66/1051425366.db2.gz ZLJBDWADZDFRTG-ZVZLLHMNSA-N 1 0 346.452 4.225 20 5 EIBDRO CCC[N@H+](Cc1ccc(OC)cc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC001175322804 1051530623 /nfs/dbraw/zinc/53/06/23/1051530623.db2.gz GRFRMRXCCVLYHK-UHFFFAOYSA-N 1 0 344.411 4.024 20 5 EIBDRO Cc1ccc(C[NH+](C)C)cc1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774343467 1051561374 /nfs/dbraw/zinc/56/13/74/1051561374.db2.gz IWXUDFVNZVFAOI-IBGZPJMESA-N 1 0 339.439 4.454 20 5 EIBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1(CC)CC ZINC001191822682 1051563197 /nfs/dbraw/zinc/56/31/97/1051563197.db2.gz YAYIOGAYBOULTI-IAGOWNOFSA-N 1 0 338.423 4.150 20 5 EIBDRO CC(C)[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000774408371 1051583530 /nfs/dbraw/zinc/58/35/30/1051583530.db2.gz INKHBKMJMVKXNM-MSOLQXFVSA-N 1 0 348.830 4.269 20 5 EIBDRO CC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001182843306 1051713936 /nfs/dbraw/zinc/71/39/36/1051713936.db2.gz CIEXJAZYHYKEIA-HNNXBMFYSA-N 1 0 336.794 4.498 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC(Cc2ccc(C)cc2)C1 ZINC001182929638 1051755044 /nfs/dbraw/zinc/75/50/44/1051755044.db2.gz DUWHPUAISTXHCB-YVLHZVERSA-N 1 0 336.435 4.481 20 5 EIBDRO CO[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC001183059924 1051781874 /nfs/dbraw/zinc/78/18/74/1051781874.db2.gz QMNSUKFKRLALTN-XKGZKEIXSA-N 1 0 346.471 4.101 20 5 EIBDRO CC(C)C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001192662540 1051796633 /nfs/dbraw/zinc/79/66/33/1051796633.db2.gz OIWYEYZBXWPROC-LJQANCHMSA-N 1 0 328.412 4.351 20 5 EIBDRO C[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CC[S@](=O)C1 ZINC000763651397 1051812247 /nfs/dbraw/zinc/81/22/47/1051812247.db2.gz ICGHBXJWXPOZNN-FYSMJZIKSA-N 1 0 337.488 4.193 20 5 EIBDRO Cc1ccccc1[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC001192791055 1051817720 /nfs/dbraw/zinc/81/77/20/1051817720.db2.gz FQBUVSOEPMHAPO-LJQANCHMSA-N 1 0 328.412 4.269 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC[C@H]1CC=CCC1 ZINC001183323947 1051824390 /nfs/dbraw/zinc/82/43/90/1051824390.db2.gz HNQFXGXXJJRFCI-LBPRGKRZSA-N 1 0 328.334 4.450 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3ncccc23)c(Cl)c1 ZINC001183712305 1051886614 /nfs/dbraw/zinc/88/66/14/1051886614.db2.gz ZWHPTIBSCZESPV-UHFFFAOYSA-N 1 0 327.771 4.086 20 5 EIBDRO C[C@H]([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCCCCC1 ZINC001193261562 1051892658 /nfs/dbraw/zinc/89/26/58/1051892658.db2.gz RDXRHJTUSPZNIP-ZDUSSCGKSA-N 1 0 344.415 4.093 20 5 EIBDRO C[C@H](C[NH2+]Cc1cc2c(cccc2O)s1)c1ccccc1[N+](=O)[O-] ZINC001184045271 1051943994 /nfs/dbraw/zinc/94/39/94/1051943994.db2.gz LLCDMBMDBMGGDG-GFCCVEGCSA-N 1 0 342.420 4.408 20 5 EIBDRO CO[C@@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001193744127 1051980199 /nfs/dbraw/zinc/98/01/99/1051980199.db2.gz ZUWCPKDKNCPXNW-SFHVURJKSA-N 1 0 348.830 4.110 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1[C@@H](C)c1ccccc1 ZINC001176366165 1052041470 /nfs/dbraw/zinc/04/14/70/1052041470.db2.gz XYWLHSQOKKSYBX-KXBFYZLASA-N 1 0 340.423 4.372 20 5 EIBDRO C[NH+](C)[C@H](CNc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001184938711 1052125035 /nfs/dbraw/zinc/12/50/35/1052125035.db2.gz ZMFJQVJNZRISCF-MRXNPFEDSA-N 1 0 337.782 4.102 20 5 EIBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC001185099049 1052167015 /nfs/dbraw/zinc/16/70/15/1052167015.db2.gz WJVIHGHMGAKBSL-AWEZNQCLSA-N 1 0 325.840 4.315 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCOC12CCCC2 ZINC001176823346 1052196413 /nfs/dbraw/zinc/19/64/13/1052196413.db2.gz BLKJECMRCQBOQA-CYBMUJFWSA-N 1 0 345.226 4.093 20 5 EIBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+]CCCC1CCC1 ZINC001203168570 1052275385 /nfs/dbraw/zinc/27/53/85/1052275385.db2.gz LFMKMRNGJGYQMO-UHFFFAOYSA-N 1 0 327.222 4.027 20 5 EIBDRO CC[NH+](CC)Cc1ccc(NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000864025922 1053160988 /nfs/dbraw/zinc/16/09/88/1053160988.db2.gz RNPHKFQXTAEJQQ-UHFFFAOYSA-N 1 0 327.428 4.357 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCO2 ZINC000850428536 1053203158 /nfs/dbraw/zinc/20/31/58/1053203158.db2.gz PONKBNUTTBULMF-UONOGXRCSA-N 1 0 326.396 4.332 20 5 EIBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1c1ccccc1 ZINC001195022853 1053229412 /nfs/dbraw/zinc/22/94/12/1053229412.db2.gz OSSXOIYDHYKVFU-ZWKOTPCHSA-N 1 0 340.423 4.242 20 5 EIBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001195022851 1053230034 /nfs/dbraw/zinc/23/00/34/1053230034.db2.gz OSSXOIYDHYKVFU-QZTJIDSGSA-N 1 0 340.423 4.242 20 5 EIBDRO C[C@]1(Cc2ccccc2F)CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001195464660 1053399473 /nfs/dbraw/zinc/39/94/73/1053399473.db2.gz XZJQCZNPBRCSLG-LJQANCHMSA-N 1 0 346.377 4.470 20 5 EIBDRO CC1(C)CC(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)C1 ZINC001195546442 1053432490 /nfs/dbraw/zinc/43/24/90/1053432490.db2.gz COYCNFCOJPZXKM-IYARVYRRSA-N 1 0 346.471 4.137 20 5 EIBDRO COc1ccc(C[C@@H]2CCCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001195874272 1053512599 /nfs/dbraw/zinc/51/25/99/1053512599.db2.gz RPFWQULICOXIJJ-SFHVURJKSA-N 1 0 340.423 4.201 20 5 EIBDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000776582766 1053562110 /nfs/dbraw/zinc/56/21/10/1053562110.db2.gz BUIPVLGNLWJTQM-PMACEKPBSA-N 1 0 340.423 4.082 20 5 EIBDRO CCCC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccc(C)o1 ZINC000776579596 1053564302 /nfs/dbraw/zinc/56/43/02/1053564302.db2.gz NZKHNCYLYJXMTK-CRAIPNDOSA-N 1 0 346.427 4.393 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000865787504 1053593443 /nfs/dbraw/zinc/59/34/43/1053593443.db2.gz OSVCQEIOCMNQLP-UHFFFAOYSA-N 1 0 330.331 4.273 20 5 EIBDRO CCC(CC)[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000776606125 1053597226 /nfs/dbraw/zinc/59/72/26/1053597226.db2.gz RTJPPLXXYMQNEO-WMZOPIPTSA-N 1 0 348.468 4.457 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000865832371 1053603854 /nfs/dbraw/zinc/60/38/54/1053603854.db2.gz NPWSYYIAAXZPQY-VTGPQGOBSA-N 1 0 326.318 4.095 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H](C4CCC4)C3)co2)cc1 ZINC001196255292 1053618293 /nfs/dbraw/zinc/61/82/93/1053618293.db2.gz TZIFYFIYHHUFOS-INIZCTEOSA-N 1 0 341.411 4.262 20 5 EIBDRO COc1cc(C[N@@H+]2CCCC[C@H]2CC2CCC2)c([N+](=O)[O-])cc1F ZINC001196328885 1053640615 /nfs/dbraw/zinc/64/06/15/1053640615.db2.gz JITDNXNTTYVIOT-HNNXBMFYSA-N 1 0 336.407 4.287 20 5 EIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)cc1[N+](=O)[O-] ZINC000853094589 1053645575 /nfs/dbraw/zinc/64/55/75/1053645575.db2.gz GYGDVFWRLYBDSO-CQSZACIVSA-N 1 0 326.396 4.079 20 5 EIBDRO CC(C)(C)[NH+]1CCC(Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853202459 1053653084 /nfs/dbraw/zinc/65/30/84/1053653084.db2.gz FKYAIEMKVKQEAG-UHFFFAOYSA-N 1 0 327.375 4.207 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC001197020206 1053827175 /nfs/dbraw/zinc/82/71/75/1053827175.db2.gz BQOVPTRKFQQFRO-UHFFFAOYSA-N 1 0 344.386 4.122 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c(Cl)c1 ZINC001197184720 1053843578 /nfs/dbraw/zinc/84/35/78/1053843578.db2.gz FEJWPZZFDOAQCV-DGCLKSJQSA-N 1 0 334.725 4.235 20 5 EIBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000301428398 1053922313 /nfs/dbraw/zinc/92/23/13/1053922313.db2.gz PSGMHJWUWKUZMX-GUYCJALGSA-N 1 0 331.441 4.151 20 5 EIBDRO CCCOCc1ccccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173331370 1054043450 /nfs/dbraw/zinc/04/34/50/1054043450.db2.gz WSKKXXHQEDAATQ-OAHLLOKOSA-N 1 0 328.412 4.372 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000857059265 1054166761 /nfs/dbraw/zinc/16/67/61/1054166761.db2.gz KDDIEJXQEBDSJJ-MRVPVSSYSA-N 1 0 325.142 4.037 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000872033696 1054348990 /nfs/dbraw/zinc/34/89/90/1054348990.db2.gz IDELSOLRKKTLGR-ZBEGNZNMSA-N 1 0 344.436 4.360 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC)C1CCOCC1 ZINC000872040409 1054357255 /nfs/dbraw/zinc/35/72/55/1054357255.db2.gz LJSRTTAUTIQOAY-WBMJQRKESA-N 1 0 338.473 4.173 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049641 1054362816 /nfs/dbraw/zinc/36/28/16/1054362816.db2.gz UMBQRISCAQSVQY-UONOGXRCSA-N 1 0 336.407 4.266 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000873108331 1054486751 /nfs/dbraw/zinc/48/67/51/1054486751.db2.gz XDIGDMPITZKXEG-FXAWDEMLSA-N 1 0 340.423 4.222 20 5 EIBDRO COc1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000873184403 1054504084 /nfs/dbraw/zinc/50/40/84/1054504084.db2.gz PCJSNEUHCHLYNW-CQSZACIVSA-N 1 0 344.411 4.241 20 5 EIBDRO CC(C)(C)C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776155215 1054740217 /nfs/dbraw/zinc/74/02/17/1054740217.db2.gz DMIYOFPTJNQSCE-OALUTQOASA-N 1 0 342.439 4.395 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CC2CCC2)c2ccccc2)cc1 ZINC000776155954 1054755647 /nfs/dbraw/zinc/75/56/47/1054755647.db2.gz JMASVLNVFOEFBZ-VQTJNVASSA-N 1 0 340.423 4.149 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCOc2ccc3ccccc3c2)c1 ZINC001201387929 1054786431 /nfs/dbraw/zinc/78/64/31/1054786431.db2.gz DURXOIFMKQTWTB-UHFFFAOYSA-N 1 0 336.391 4.307 20 5 EIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nccs1 ZINC001201929545 1054943357 /nfs/dbraw/zinc/94/33/57/1054943357.db2.gz NJJYSDJUBNIERM-LBPRGKRZSA-N 1 0 343.408 4.205 20 5 EIBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1cc2ccccc2s1 ZINC000877018053 1055000445 /nfs/dbraw/zinc/00/04/45/1055000445.db2.gz KPKVQUUBGOJZIO-LMWSTFAQSA-N 1 0 342.424 4.060 20 5 EIBDRO Cc1csc([C@H]2CC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)n1 ZINC000877813039 1055125532 /nfs/dbraw/zinc/12/55/32/1055125532.db2.gz INRUETUTOLNKHJ-NSHDSACASA-N 1 0 337.832 4.003 20 5 EIBDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878199477 1055204951 /nfs/dbraw/zinc/20/49/51/1055204951.db2.gz AZFIDPDXQGZACE-UKRRQHHQSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000765811838 1055473419 /nfs/dbraw/zinc/47/34/19/1055473419.db2.gz VUFXFTBHFNJIOU-ACJLOTCBSA-N 1 0 348.830 4.115 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]C[C@](C)(O)c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000765813183 1055474580 /nfs/dbraw/zinc/47/45/80/1055474580.db2.gz DVTIBKPNYPASOP-ACJLOTCBSA-N 1 0 348.830 4.115 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000765815492 1055493437 /nfs/dbraw/zinc/49/34/37/1055493437.db2.gz JUKPHZGHIROUIT-UGSOOPFHSA-N 1 0 348.830 4.115 20 5 EIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273252900 1055564955 /nfs/dbraw/zinc/56/49/55/1055564955.db2.gz AJALDVBIYHJLNO-MOPGFXCFSA-N 1 0 344.386 4.086 20 5 EIBDRO CCN(C)c1ccccc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000765847232 1055870928 /nfs/dbraw/zinc/87/09/28/1055870928.db2.gz BGEIHLQXDAUPFU-HNNXBMFYSA-N 1 0 327.428 4.210 20 5 EIBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000273511904 1055890372 /nfs/dbraw/zinc/89/03/72/1055890372.db2.gz OQEXYSIXBVLSAU-QWHCGFSZSA-N 1 0 340.832 4.084 20 5 EIBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000742374259 1058601891 /nfs/dbraw/zinc/60/18/91/1058601891.db2.gz UDXQQHGLBBEEDX-QZTJIDSGSA-N 1 0 328.387 4.468 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(C)(C)C)cc1 ZINC000743462828 1059014014 /nfs/dbraw/zinc/01/40/14/1059014014.db2.gz BAAHWXBYEBZXII-AUUYWEPGSA-N 1 0 342.439 4.277 20 5 EIBDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000743463865 1059018030 /nfs/dbraw/zinc/01/80/30/1059018030.db2.gz YADKRPHFFCCZDY-IAGOWNOFSA-N 1 0 334.803 4.023 20 5 EIBDRO C[C@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000746046625 1059978087 /nfs/dbraw/zinc/97/80/87/1059978087.db2.gz CFYUQVMELQFCKJ-LIRRHRJNSA-N 1 0 342.439 4.277 20 5 EIBDRO Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000746049728 1059986000 /nfs/dbraw/zinc/98/60/00/1059986000.db2.gz WZYZWRVNSLSAAL-FUHWJXTLSA-N 1 0 339.439 4.223 20 5 EIBDRO Cn1cc(C[NH2+][C@H](CC2CCCCC2)c2ccccc2)c([N+](=O)[O-])n1 ZINC001168825523 1060435166 /nfs/dbraw/zinc/43/51/66/1060435166.db2.gz KFVQUHZHZABGKG-GOSISDBHSA-N 1 0 342.443 4.130 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3ccc(Cl)cc3Cl)CC2)C1 ZINC001168977874 1060548542 /nfs/dbraw/zinc/54/85/42/1060548542.db2.gz NFVMSTXVDBVXAA-CMPLNLGQSA-N 1 0 329.227 4.018 20 5 EIBDRO CC(C)([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC001168984436 1060554384 /nfs/dbraw/zinc/55/43/84/1060554384.db2.gz NUEPEPXATUHCHK-PWSUYJOCSA-N 1 0 331.243 4.264 20 5 EIBDRO CCCC[C@H]([NH3+])Cc1cn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168987882 1060582137 /nfs/dbraw/zinc/58/21/37/1060582137.db2.gz LBEMVZRPMLKAOJ-BPQIPLTHSA-N 1 0 343.471 4.319 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC3CCCCC3)c2)C1 ZINC001168988386 1060583892 /nfs/dbraw/zinc/58/38/92/1060583892.db2.gz RUFSFCKOEOHNKG-MOPGFXCFSA-N 1 0 346.471 4.181 20 5 EIBDRO Cc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046342 1060602795 /nfs/dbraw/zinc/60/27/95/1060602795.db2.gz KVMJBFIQLQNIHT-DOTOQJQBSA-N 1 0 341.455 4.035 20 5 EIBDRO CC1(C)C[C@H](Nc2cc([N+](=O)[O-])cc3cc[nH]c32)C[C@@](C)(C[NH3+])C1 ZINC001169143489 1060663663 /nfs/dbraw/zinc/66/36/63/1060663663.db2.gz KECUGHPEFGUXPL-SCLBCKFNSA-N 1 0 330.432 4.032 20 5 EIBDRO CC1(C)C[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001169153810 1060670641 /nfs/dbraw/zinc/67/06/41/1060670641.db2.gz UKNKCPOTPLNEGD-LIRRHRJNSA-N 1 0 342.443 4.099 20 5 EIBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001169363561 1060781310 /nfs/dbraw/zinc/78/13/10/1060781310.db2.gz AQKPIGNMTVTYTI-CRAIPNDOSA-N 1 0 328.387 4.235 20 5 EIBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC001169567069 1060859766 /nfs/dbraw/zinc/85/97/66/1060859766.db2.gz LYNDWQBWHHCVTB-DZGCQCFKSA-N 1 0 347.459 4.036 20 5 EIBDRO COc1ccc(O[C@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000532234355 1032118058 /nfs/dbraw/zinc/11/80/58/1032118058.db2.gz VGSCTCCLKFAQGX-CABCVRRESA-N 1 0 344.411 4.030 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC000475666406 1032559587 /nfs/dbraw/zinc/55/95/87/1032559587.db2.gz CEAYIMUNMFEWOR-KOMQPUFPSA-N 1 0 346.814 4.293 20 5 EIBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000533289467 1032606881 /nfs/dbraw/zinc/60/68/81/1032606881.db2.gz LOZVYPZBSQJYEB-CJNGLKHVSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)cc1[N+](=O)[O-] ZINC000577565221 1018852542 /nfs/dbraw/zinc/85/25/42/1018852542.db2.gz QTWUNAZYXMBHLQ-ZTNFWEORSA-N 1 0 340.423 4.474 20 5 EIBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cccc2ccccc21 ZINC001167050290 1018873216 /nfs/dbraw/zinc/87/32/16/1018873216.db2.gz WXYDWQANGHGLLN-UHFFFAOYSA-N 1 0 336.391 4.259 20 5 EIBDRO COc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000610216032 1019386220 /nfs/dbraw/zinc/38/62/20/1019386220.db2.gz DVUGPMRKZXBFST-QAPCUYQASA-N 1 0 340.423 4.229 20 5 EIBDRO COc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610216031 1019386969 /nfs/dbraw/zinc/38/69/69/1019386969.db2.gz DVUGPMRKZXBFST-MAUKXSAKSA-N 1 0 340.423 4.229 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000430218848 1019454885 /nfs/dbraw/zinc/45/48/85/1019454885.db2.gz MLBFDCQTBWSIGX-LJQANCHMSA-N 1 0 326.396 4.153 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000430226135 1019499369 /nfs/dbraw/zinc/49/93/69/1019499369.db2.gz MEMWXPMVXYMSMR-IBGZPJMESA-N 1 0 344.386 4.292 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccc(Cl)cc1 ZINC000430225830 1019502043 /nfs/dbraw/zinc/50/20/43/1019502043.db2.gz ZCDCNNYPKQZVKR-INIZCTEOSA-N 1 0 334.803 4.498 20 5 EIBDRO CC[NH+](CC)Cc1cccc(CNc2ccc([N+](=O)[O-])cc2F)c1 ZINC000510130946 1019805309 /nfs/dbraw/zinc/80/53/09/1019805309.db2.gz CPSAMMLPOXGNJA-UHFFFAOYSA-N 1 0 331.391 4.188 20 5 EIBDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCO2 ZINC000090217634 1032863505 /nfs/dbraw/zinc/86/35/05/1032863505.db2.gz ZFJAXQWYYDKBJV-GUYCJALGSA-N 1 0 342.395 4.086 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000219618707 1019951993 /nfs/dbraw/zinc/95/19/93/1019951993.db2.gz ICFLSLAATMCJRJ-UHFFFAOYSA-N 1 0 333.391 4.365 20 5 EIBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000609704181 1020036818 /nfs/dbraw/zinc/03/68/18/1020036818.db2.gz DYEGUDRJZKNVGS-CYBMUJFWSA-N 1 0 331.441 4.294 20 5 EIBDRO C[NH2+]Cc1cn(-c2ccc3c(cccc3[N+](=O)[O-])n2)c2ccc(C)cc12 ZINC001167123695 1020271859 /nfs/dbraw/zinc/27/18/59/1020271859.db2.gz OSAYLIQUPXWYHL-UHFFFAOYSA-N 1 0 346.390 4.115 20 5 EIBDRO CCC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])CC1CCCCC1 ZINC001167146899 1020378672 /nfs/dbraw/zinc/37/86/72/1020378672.db2.gz QRWLMHFQINAGLH-UHFFFAOYSA-N 1 0 348.443 4.174 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000247116649 1020520548 /nfs/dbraw/zinc/52/05/48/1020520548.db2.gz UIGFNYVJCDUSOK-BEVDRBHNSA-N 1 0 340.423 4.474 20 5 EIBDRO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC001167237484 1020639786 /nfs/dbraw/zinc/63/97/86/1020639786.db2.gz HZLMCPIYLBEHDE-UHFFFAOYSA-N 1 0 332.375 4.025 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000121014626 1020956993 /nfs/dbraw/zinc/95/69/93/1020956993.db2.gz HQACRPMMPHJBEH-NJSLBKSFSA-N 1 0 346.402 4.205 20 5 EIBDRO Cc1c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cccc1[N+](=O)[O-] ZINC000175830560 1021082080 /nfs/dbraw/zinc/08/20/80/1021082080.db2.gz ZENHYIIHRXKSBV-WBVHZDCISA-N 1 0 346.452 4.053 20 5 EIBDRO CCC(CC)(CC)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000560543830 1021140945 /nfs/dbraw/zinc/14/09/45/1021140945.db2.gz CSBZRALJILYJSD-KRWDZBQOSA-N 1 0 344.459 4.224 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCCOc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000179964005 1021187276 /nfs/dbraw/zinc/18/72/76/1021187276.db2.gz XTWWGVOJLCNNBZ-YVEFUNNKSA-N 1 0 330.359 4.298 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000180010822 1021307481 /nfs/dbraw/zinc/30/74/81/1021307481.db2.gz BGDFYWIYFABRJQ-ZDUSSCGKSA-N 1 0 329.400 4.018 20 5 EIBDRO CC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](C)C(C)C ZINC000706425738 1021547221 /nfs/dbraw/zinc/54/72/21/1021547221.db2.gz RAHLFXFYPQQSJL-NSHDSACASA-N 1 0 329.238 4.224 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCc1ccccc1OC(F)F ZINC000471537895 1021634468 /nfs/dbraw/zinc/63/44/68/1021634468.db2.gz NJMJHDPVMCGIPI-YVMONPNESA-N 1 0 348.349 4.042 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000580328464 1021771170 /nfs/dbraw/zinc/77/11/70/1021771170.db2.gz VIWZQGBSSJPYPB-PBHICJAKSA-N 1 0 330.428 4.054 20 5 EIBDRO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001167368568 1021774478 /nfs/dbraw/zinc/77/44/78/1021774478.db2.gz ZCTHSKMPDQQBSU-LJQANCHMSA-N 1 0 328.387 4.288 20 5 EIBDRO CC1(C)CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000536362239 1021843414 /nfs/dbraw/zinc/84/34/14/1021843414.db2.gz FJRDJUFNJJFLJQ-UHFFFAOYSA-N 1 0 329.400 4.262 20 5 EIBDRO Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC001167386391 1021913093 /nfs/dbraw/zinc/91/30/93/1021913093.db2.gz FCNGPKXWJBHQPG-MRXNPFEDSA-N 1 0 328.387 4.249 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)Oc1ccccc1 ZINC000468622146 1022024084 /nfs/dbraw/zinc/02/40/84/1022024084.db2.gz PPYJWBXUCXBYTA-SFKKXYGYSA-N 1 0 326.396 4.055 20 5 EIBDRO C[C@H]([NH2+]Cc1cc(Br)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000071307906 1022079750 /nfs/dbraw/zinc/07/97/50/1022079750.db2.gz KHSQXJPRFRUXJU-VIFPVBQESA-N 1 0 341.230 4.270 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1c[nH]c2ccccc12 ZINC000468635045 1022132234 /nfs/dbraw/zinc/13/22/34/1022132234.db2.gz LHFQKGKYIZCARM-RVDMUPIBSA-N 1 0 335.407 4.312 20 5 EIBDRO COC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000290402003 1022138063 /nfs/dbraw/zinc/13/80/63/1022138063.db2.gz SYKFDILKZFUYSX-SJKOYZFVSA-N 1 0 334.803 4.287 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000471612786 1022396992 /nfs/dbraw/zinc/39/69/92/1022396992.db2.gz UYOBXRRJHAPKDE-YRNRMSPPSA-N 1 0 341.455 4.245 20 5 EIBDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000378187201 1022504019 /nfs/dbraw/zinc/50/40/19/1022504019.db2.gz ZKDBQEGCIIVMBY-DYVFJYSZSA-N 1 0 342.395 4.086 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000545317711 1022527523 /nfs/dbraw/zinc/52/75/23/1022527523.db2.gz OSTUDMOBBXHFCP-YRNRMSPPSA-N 1 0 341.455 4.245 20 5 EIBDRO CC(C)OC1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000893184140 1022570597 /nfs/dbraw/zinc/57/05/97/1022570597.db2.gz VNUPFPWQGNXVEQ-UHFFFAOYSA-N 1 0 326.824 4.074 20 5 EIBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104666743 1022672574 /nfs/dbraw/zinc/67/25/74/1022672574.db2.gz VIGYAQRAMWPCCT-RHSMWYFYSA-N 1 0 343.427 4.303 20 5 EIBDRO CC[C@@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104661195 1022674571 /nfs/dbraw/zinc/67/45/71/1022674571.db2.gz YCHBCWHLAZOUGT-OAHLLOKOSA-N 1 0 329.400 4.057 20 5 EIBDRO CC[C@@H](COC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000120229470 1022679111 /nfs/dbraw/zinc/67/91/11/1022679111.db2.gz ZQRALCRAHNRWDK-NSHDSACASA-N 1 0 338.791 4.023 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]Cc2cc(Cl)cc3c2OCC3)cccc1[N+](=O)[O-] ZINC000186613367 1022693474 /nfs/dbraw/zinc/69/34/74/1022693474.db2.gz PDWNEQWCSZNJRT-GFCCVEGCSA-N 1 0 346.814 4.342 20 5 EIBDRO CC(C)(CO)CCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180620267 1022753265 /nfs/dbraw/zinc/75/32/65/1022753265.db2.gz GMLLNVJNOIFCAR-IBGZPJMESA-N 1 0 342.439 4.073 20 5 EIBDRO CCC[C@@H](CCO)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180677688 1022781795 /nfs/dbraw/zinc/78/17/95/1022781795.db2.gz ZLAVGMJSNSBYMW-OXJNMPFZSA-N 1 0 342.439 4.073 20 5 EIBDRO CC[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000378392404 1022799850 /nfs/dbraw/zinc/79/98/50/1022799850.db2.gz FXDXAFMMKSSXCU-YSIASYRMSA-N 1 0 340.423 4.413 20 5 EIBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(F)cc1F ZINC000581154598 1022861155 /nfs/dbraw/zinc/86/11/55/1022861155.db2.gz LPKXSKCXGIAZRJ-NSHDSACASA-N 1 0 345.349 4.248 20 5 EIBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 ZINC000181355107 1022964211 /nfs/dbraw/zinc/96/42/11/1022964211.db2.gz YTRLFTGFSBDAPT-AWEZNQCLSA-N 1 0 337.379 4.143 20 5 EIBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@H](C)O1 ZINC000414509980 1023247095 /nfs/dbraw/zinc/24/70/95/1023247095.db2.gz CZDHFERHSFTKAL-IPYPFGDCSA-N 1 0 346.452 4.226 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC2(CCOCC2)[C@@H]1C(C)C ZINC000414523135 1023247699 /nfs/dbraw/zinc/24/76/99/1023247699.db2.gz CVHQFVPASMIICB-QMDZLVRISA-N 1 0 344.455 4.135 20 5 EIBDRO COCC1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000414516040 1023248197 /nfs/dbraw/zinc/24/81/97/1023248197.db2.gz WBEIHNQMNBCVLK-UHFFFAOYSA-N 1 0 344.411 4.150 20 5 EIBDRO CC(C)(C)c1ccncc1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414500476 1023249815 /nfs/dbraw/zinc/24/98/15/1023249815.db2.gz QHUIMBWSELAAHK-SOFGYWHQSA-N 1 0 325.412 4.090 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1COCc3ccccc31)CCCC2 ZINC000417359378 1023284645 /nfs/dbraw/zinc/28/46/45/1023284645.db2.gz IOSFENMBEOZOTA-WOJBJXKFSA-N 1 0 338.407 4.223 20 5 EIBDRO COc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000610511698 1023404224 /nfs/dbraw/zinc/40/42/24/1023404224.db2.gz ZOFMLUAVAGVLFV-QWHCGFSZSA-N 1 0 346.349 4.062 20 5 EIBDRO COc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000610511699 1023405688 /nfs/dbraw/zinc/40/56/88/1023405688.db2.gz ZOFMLUAVAGVLFV-STQMWFEESA-N 1 0 346.349 4.062 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000075865022 1023454415 /nfs/dbraw/zinc/45/44/15/1023454415.db2.gz GCAUREKPPQTOEH-WMZOPIPTSA-N 1 0 340.423 4.195 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000500252639 1023620560 /nfs/dbraw/zinc/62/05/60/1023620560.db2.gz QILPUHAPEWDDEI-LBPRGKRZSA-N 1 0 332.425 4.176 20 5 EIBDRO CC[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181647105 1023780034 /nfs/dbraw/zinc/78/00/34/1023780034.db2.gz JPMUAJJEXRRXGW-RTBURBONSA-N 1 0 340.423 4.149 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(C(C)(C)O)cc1 ZINC000925694770 1023788730 /nfs/dbraw/zinc/78/87/30/1023788730.db2.gz SUCOUVFWVMDKJT-KGLIPLIRSA-N 1 0 328.412 4.234 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436413261 1023819974 /nfs/dbraw/zinc/81/99/74/1023819974.db2.gz SWYKAOOXZJRRCP-UHFFFAOYSA-N 1 0 347.777 4.201 20 5 EIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC3(CCCC3)C2)c1 ZINC001167487325 1023825743 /nfs/dbraw/zinc/82/57/43/1023825743.db2.gz KBFBLIHDPZMRNX-UHFFFAOYSA-N 1 0 328.334 4.380 20 5 EIBDRO COc1ccccc1[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093593083 1024624176 /nfs/dbraw/zinc/62/41/76/1024624176.db2.gz JZJKMCMWQSOMSE-DBWMJRBXSA-N 1 0 338.407 4.106 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2csc(Cl)c2Cl)cc1 ZINC000432244294 1024727925 /nfs/dbraw/zinc/72/79/25/1024727925.db2.gz CXKIBEGLOFQILR-UHFFFAOYSA-N 1 0 331.224 4.295 20 5 EIBDRO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178424043 1024816932 /nfs/dbraw/zinc/81/69/32/1024816932.db2.gz AQHDTZRHCDKTFP-KBPBESRZSA-N 1 0 346.452 4.401 20 5 EIBDRO CN(Cc1ccccc1Oc1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC000500445794 1025376368 /nfs/dbraw/zinc/37/63/68/1025376368.db2.gz FAOBAGSGEBBEEA-UHFFFAOYSA-N 1 0 349.390 4.414 20 5 EIBDRO CCC[C@H]([NH2+]Cc1ccccc1COC)c1cccc([N+](=O)[O-])c1 ZINC000119575984 1025516105 /nfs/dbraw/zinc/51/61/05/1025516105.db2.gz MNHNMUZXUNTLBT-IBGZPJMESA-N 1 0 328.412 4.372 20 5 EIBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2Cl)[NH+]2CCCC2)o1 ZINC000506752086 1025606705 /nfs/dbraw/zinc/60/67/05/1025606705.db2.gz DYQPRJDTGVIEBN-INIZCTEOSA-N 1 0 349.818 4.399 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000539048840 1025756943 /nfs/dbraw/zinc/75/69/43/1025756943.db2.gz FDNPYHFOMVYDHD-IFXJQAMLSA-N 1 0 325.412 4.052 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000539066869 1025787804 /nfs/dbraw/zinc/78/78/04/1025787804.db2.gz WHTDKTCVCHQOME-LPMFXHHGSA-N 1 0 346.402 4.469 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CCCc3ccc(C)cc32)cc1[N+](=O)[O-] ZINC000342326192 1025858014 /nfs/dbraw/zinc/85/80/14/1025858014.db2.gz SPKGPTGFFLPFIZ-KRWDZBQOSA-N 1 0 326.396 4.079 20 5 EIBDRO Cc1cc(N2CCC=C(c3ccncc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000343991736 1025863605 /nfs/dbraw/zinc/86/36/05/1025863605.db2.gz PJQZTZQZWATQDP-UHFFFAOYSA-N 1 0 346.390 4.140 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000279185419 1026185880 /nfs/dbraw/zinc/18/58/80/1026185880.db2.gz VYFZAEWVMMCUOH-DYVFJYSZSA-N 1 0 330.428 4.009 20 5 EIBDRO CCC[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000344331017 1026246150 /nfs/dbraw/zinc/24/61/50/1026246150.db2.gz ONQMOBMRFDZDQB-MAUKXSAKSA-N 1 0 334.460 4.214 20 5 EIBDRO C[C@@H]([NH2+]CCCCN(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467833350 1026289540 /nfs/dbraw/zinc/28/95/40/1026289540.db2.gz IYGQLPPEKRGDLX-MRXNPFEDSA-N 1 0 327.428 4.162 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCC12CCCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451461860 1026331676 /nfs/dbraw/zinc/33/16/76/1026331676.db2.gz VCEAQDIHDNPOPG-IUODEOHRSA-N 1 0 342.399 4.018 20 5 EIBDRO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000519569813 1026372348 /nfs/dbraw/zinc/37/23/48/1026372348.db2.gz WPPIZPLEQADCMG-AWEZNQCLSA-N 1 0 326.824 4.028 20 5 EIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000120076744 1026463201 /nfs/dbraw/zinc/46/32/01/1026463201.db2.gz QYLLGHXXXISFQI-NSHDSACASA-N 1 0 340.301 4.344 20 5 EIBDRO COc1cc(C[N@H+]([C@@H](C)c2ccccc2)C2CC2)ccc1[N+](=O)[O-] ZINC000512241550 1026565926 /nfs/dbraw/zinc/56/59/26/1026565926.db2.gz HCGALVVXPGMYOH-AWEZNQCLSA-N 1 0 326.396 4.329 20 5 EIBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCOc3ccccc32)cccc1[N+](=O)[O-] ZINC000158382360 1026705463 /nfs/dbraw/zinc/70/54/63/1026705463.db2.gz ATVYAZQEPJERRZ-GJZGRUSLSA-N 1 0 326.396 4.120 20 5 EIBDRO CCc1cccnc1[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000507524460 1026826173 /nfs/dbraw/zinc/82/61/73/1026826173.db2.gz JJCCWYQLPDOELH-OAHLLOKOSA-N 1 0 327.428 4.226 20 5 EIBDRO C[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178653091 1027256882 /nfs/dbraw/zinc/25/68/82/1027256882.db2.gz ZVJYIZGMCGSUDU-GFCCVEGCSA-N 1 0 336.338 4.090 20 5 EIBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC000052926232 1027307364 /nfs/dbraw/zinc/30/73/64/1027307364.db2.gz OINMVBZJQWQOQW-VIFPVBQESA-N 1 0 341.230 4.270 20 5 EIBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000163242036 1027448899 /nfs/dbraw/zinc/44/88/99/1027448899.db2.gz PCIOZUFIFUNOMY-RHSMWYFYSA-N 1 0 343.427 4.351 20 5 EIBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001167624732 1027453509 /nfs/dbraw/zinc/45/35/09/1027453509.db2.gz FSHCEGXRMBOUPR-UHFFFAOYSA-N 1 0 345.365 4.098 20 5 EIBDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000444660189 1027933634 /nfs/dbraw/zinc/93/36/34/1027933634.db2.gz IXAQDPWKZIFWKZ-CZUORRHYSA-N 1 0 344.415 4.045 20 5 EIBDRO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCC[C@@H]1C ZINC000444666397 1027948914 /nfs/dbraw/zinc/94/89/14/1027948914.db2.gz SHUNGKQTCMAHEO-BBRMVZONSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1cc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)s1 ZINC000444683338 1027964349 /nfs/dbraw/zinc/96/43/49/1027964349.db2.gz FULVFMOUODTFCB-SNVBAGLBSA-N 1 0 330.413 4.000 20 5 EIBDRO CC(C)(C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000583096172 1027984537 /nfs/dbraw/zinc/98/45/37/1027984537.db2.gz YJJLOWSQJZGPKJ-GXTWGEPZSA-N 1 0 344.377 4.484 20 5 EIBDRO CC[C@H](CCO)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000166733581 1027998970 /nfs/dbraw/zinc/99/89/70/1027998970.db2.gz JPSYQBDHJGMVTR-ZIAGYGMSSA-N 1 0 348.468 4.383 20 5 EIBDRO COc1cc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)ccc1[N+](=O)[O-] ZINC000583097924 1028001631 /nfs/dbraw/zinc/00/16/31/1028001631.db2.gz INCHPISAGBBCOU-UHFFFAOYSA-N 1 0 346.814 4.426 20 5 EIBDRO CC[C@H](COC)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000523390821 1028061442 /nfs/dbraw/zinc/06/14/42/1028061442.db2.gz BCHPMCRIJZWSAG-OAHLLOKOSA-N 1 0 348.374 4.041 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000324074442 1028103447 /nfs/dbraw/zinc/10/34/47/1028103447.db2.gz YQBGDGCIIHPFAJ-IAGOWNOFSA-N 1 0 347.484 4.390 20 5 EIBDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000281137719 1028406937 /nfs/dbraw/zinc/40/69/37/1028406937.db2.gz FPBRSZHYJQMTJW-APPDUMDISA-N 1 0 330.359 4.081 20 5 EIBDRO CCCC[C@@H](COC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000524064989 1028590909 /nfs/dbraw/zinc/59/09/09/1028590909.db2.gz CWCKEXZOPJITJY-HNNXBMFYSA-N 1 0 332.400 4.150 20 5 EIBDRO CC(C)(C)C[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000522717087 1028726809 /nfs/dbraw/zinc/72/68/09/1028726809.db2.gz HYGTYTRDEPRNDB-ZDUSSCGKSA-N 1 0 348.468 4.210 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C(C)(C)O)cc1 ZINC000926493633 1028740618 /nfs/dbraw/zinc/74/06/18/1028740618.db2.gz WXERMFQVVUIAPN-KGLIPLIRSA-N 1 0 328.412 4.234 20 5 EIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000445892505 1028988480 /nfs/dbraw/zinc/98/84/80/1028988480.db2.gz CCKGPJPBIAVCJJ-AWEZNQCLSA-N 1 0 348.365 4.449 20 5 EIBDRO Cc1c([C@H](C)[NH2+]Cc2ccc3c(n2)CCCC3)cccc1[N+](=O)[O-] ZINC000278472742 1029305444 /nfs/dbraw/zinc/30/54/44/1029305444.db2.gz OABNFFVPPBXKFO-AWEZNQCLSA-N 1 0 325.412 4.028 20 5 EIBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C12CCCCC2 ZINC000525126729 1029466511 /nfs/dbraw/zinc/46/65/11/1029466511.db2.gz LHFNUHIWYVMVNG-HUUCEWRRSA-N 1 0 338.473 4.216 20 5 EIBDRO CC[NH+](CC)Cc1cccc(CNc2cccc(OC)c2[N+](=O)[O-])c1 ZINC000475347768 1029567897 /nfs/dbraw/zinc/56/78/97/1029567897.db2.gz JGDLVMNNKZWDOU-UHFFFAOYSA-N 1 0 343.427 4.057 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCCC34CCC4)cs2)c1 ZINC000446852400 1029603178 /nfs/dbraw/zinc/60/31/78/1029603178.db2.gz JEXPCFIXMOUBAB-UHFFFAOYSA-N 1 0 329.425 4.237 20 5 EIBDRO CC(C)C[C@H]1CCCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000525410857 1029624419 /nfs/dbraw/zinc/62/44/19/1029624419.db2.gz MLYNIZQWPVEFCI-QGZVFWFLSA-N 1 0 348.443 4.252 20 5 EIBDRO CC(C)[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000446927026 1029642282 /nfs/dbraw/zinc/64/22/82/1029642282.db2.gz DDXVDVYTLWXSDD-UHFFFAOYSA-N 1 0 342.443 4.006 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000152252914 1029654303 /nfs/dbraw/zinc/65/43/03/1029654303.db2.gz FULLSGKFFCSEOP-SFHVURJKSA-N 1 0 336.395 4.021 20 5 EIBDRO C[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000090804345 1029869212 /nfs/dbraw/zinc/86/92/12/1029869212.db2.gz NOWNRGXJCVYGCV-TXPKVOOTSA-N 1 0 340.423 4.413 20 5 EIBDRO COc1ccc2c(c1)CCC[N@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000525786608 1030019411 /nfs/dbraw/zinc/01/94/11/1030019411.db2.gz JMQZNZZAVKCTRU-AWEZNQCLSA-N 1 0 326.396 4.113 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc3ccccc3n1)CCC2 ZINC000447531067 1030136791 /nfs/dbraw/zinc/13/67/91/1030136791.db2.gz OIOVKLLAGFLLIG-HXUWFJFHSA-N 1 0 333.391 4.310 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000127501070 1030193304 /nfs/dbraw/zinc/19/33/04/1030193304.db2.gz WZRYPLJVYXWPCL-HOTGVXAUSA-N 1 0 332.444 4.436 20 5 EIBDRO CCOc1cc(C)ccc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447578723 1030206605 /nfs/dbraw/zinc/20/66/05/1030206605.db2.gz GVXSGEDZBQBSPT-IBGZPJMESA-N 1 0 340.423 4.469 20 5 EIBDRO COc1cc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000451295458 1030382332 /nfs/dbraw/zinc/38/23/32/1030382332.db2.gz KBSVRWCXNRXYOA-STQMWFEESA-N 1 0 346.349 4.204 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCSC2)ccc1Oc1ccc(F)cc1 ZINC000526991638 1030386311 /nfs/dbraw/zinc/38/63/11/1030386311.db2.gz ULMBDFBWGAVZNQ-AWEZNQCLSA-N 1 0 348.399 4.121 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H]3CCC34CCCC4)co2)cc1 ZINC000451460444 1030510867 /nfs/dbraw/zinc/51/08/67/1030510867.db2.gz RUEWBHDMQBCEDC-INIZCTEOSA-N 1 0 327.384 4.062 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2ccccn2)s1 ZINC000102419253 1030758732 /nfs/dbraw/zinc/75/87/32/1030758732.db2.gz COZQWXRQQAIYMW-UHFFFAOYSA-N 1 0 339.420 4.051 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000368475090 1030852651 /nfs/dbraw/zinc/85/26/51/1030852651.db2.gz VDDKJEIZXAFVTC-GOSISDBHSA-N 1 0 336.395 4.226 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000532550669 1031268539 /nfs/dbraw/zinc/26/85/39/1031268539.db2.gz XZWMGAANQAJBOR-ACJLOTCBSA-N 1 0 347.846 4.202 20 5 EIBDRO CCC(CC)c1cc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])on1 ZINC000449173298 1031495096 /nfs/dbraw/zinc/49/50/96/1031495096.db2.gz XDLKGOIHIBDVRT-CYBMUJFWSA-N 1 0 331.416 4.207 20 5 EIBDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449248021 1031565535 /nfs/dbraw/zinc/56/55/35/1031565535.db2.gz HONCEWNVBYOJFQ-KGLIPLIRSA-N 1 0 344.459 4.137 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000453105925 1031598146 /nfs/dbraw/zinc/59/81/46/1031598146.db2.gz IHOTWHKRKPPDCD-ABAIWWIYSA-N 1 0 332.425 4.393 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CCCc2cccnc2)cc1[N+](=O)[O-] ZINC000453147105 1031623914 /nfs/dbraw/zinc/62/39/14/1031623914.db2.gz IQXGVEGUUGGWKR-HZPDHXFCSA-N 1 0 327.428 4.360 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)CCCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000453147723 1031626426 /nfs/dbraw/zinc/62/64/26/1031626426.db2.gz YQWFZKWZVDZLSA-BEFAXECRSA-N 1 0 327.428 4.442 20 5 EIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000449334497 1031653303 /nfs/dbraw/zinc/65/33/03/1031653303.db2.gz JSFLUZMPJITKAP-CVAIRZPRSA-N 1 0 340.423 4.036 20 5 EIBDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000453244455 1031767399 /nfs/dbraw/zinc/76/73/99/1031767399.db2.gz DVUPHFUELFAPMU-ORAYPTAESA-N 1 0 326.396 4.332 20 5 EIBDRO CSc1ccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000531959769 1031879015 /nfs/dbraw/zinc/87/90/15/1031879015.db2.gz JVSHCJURVIHCDS-LBPRGKRZSA-N 1 0 334.416 4.349 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000531967013 1031888459 /nfs/dbraw/zinc/88/84/59/1031888459.db2.gz LGTOGUOUTYJNKK-IAGOWNOFSA-N 1 0 339.439 4.223 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCC[C@H]2CCOC2)c2ccccc2)c1 ZINC000453385340 1031894466 /nfs/dbraw/zinc/89/44/66/1031894466.db2.gz UJLRYNYRGHDFRL-JXFKEZNVSA-N 1 0 340.423 4.091 20 5 EIBDRO CCC1(C[NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)COC1 ZINC000453389777 1031898403 /nfs/dbraw/zinc/89/84/03/1031898403.db2.gz XPURENBLOMMJOX-CYBMUJFWSA-N 1 0 346.452 4.401 20 5 EIBDRO CC1(C2([NH2+]Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)CC1 ZINC000449674776 1031919953 /nfs/dbraw/zinc/91/99/53/1031919953.db2.gz WQVOBGRLUPAUMM-UHFFFAOYSA-N 1 0 329.425 4.141 20 5 EIBDRO COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000453373176 1031920206 /nfs/dbraw/zinc/92/02/06/1031920206.db2.gz OQLDTPGCOPVDGM-JQFCIGGWSA-N 1 0 326.396 4.200 20 5 EIBDRO CCOc1cc(C)ccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000531992134 1031959233 /nfs/dbraw/zinc/95/92/33/1031959233.db2.gz GFURMVHTVSPLQV-OAHLLOKOSA-N 1 0 328.412 4.461 20 5 EIBDRO CCCc1ncc(C[NH2+][C@@H](CC)CSc2ccccc2[N+](=O)[O-])o1 ZINC000453397692 1031965234 /nfs/dbraw/zinc/96/52/34/1031965234.db2.gz WDLWAVSJGXIBKE-ZDUSSCGKSA-N 1 0 349.456 4.196 20 5 EIBDRO CCOCC(C)(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000549858165 1033308765 /nfs/dbraw/zinc/30/87/65/1033308765.db2.gz FBIHJCXUSCVWSW-UHFFFAOYSA-N 1 0 334.441 4.228 20 5 EIBDRO C[NH+](C)[C@H]1CCOc2c(Nc3c(F)cc([N+](=O)[O-])cc3F)cccc21 ZINC000432921834 1033414558 /nfs/dbraw/zinc/41/45/58/1033414558.db2.gz GYIREGLMBXAJQX-HNNXBMFYSA-N 1 0 349.337 4.002 20 5 EIBDRO C[C@H]([NH2+]CCC(C)(C)CO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453282679 1033770309 /nfs/dbraw/zinc/77/03/09/1033770309.db2.gz URXAKHUHMZSOCA-ZDUSSCGKSA-N 1 0 348.468 4.383 20 5 EIBDRO Cc1csc([C@H](C)C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000433225252 1034072061 /nfs/dbraw/zinc/07/20/61/1034072061.db2.gz ATDSYWCICAWLMI-BDJLRTHQSA-N 1 0 345.468 4.475 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]CCC[C@@H]2CCCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433239811 1034077871 /nfs/dbraw/zinc/07/78/71/1034077871.db2.gz LZDILCONDOPCIW-MAUKXSAKSA-N 1 0 332.444 4.256 20 5 EIBDRO COc1cc(CN(C)Cc2ccc(F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000433248670 1034098504 /nfs/dbraw/zinc/09/85/04/1034098504.db2.gz TUZWARZTEHKXAS-UHFFFAOYSA-N 1 0 338.766 4.028 20 5 EIBDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000512894583 1034138107 /nfs/dbraw/zinc/13/81/07/1034138107.db2.gz KYGWSUKDGFBXEW-UONOGXRCSA-N 1 0 346.452 4.086 20 5 EIBDRO Cc1nc(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)sc1C ZINC000433289541 1034175328 /nfs/dbraw/zinc/17/53/28/1034175328.db2.gz QEKISWAOBDVGRE-INIZCTEOSA-N 1 0 345.468 4.223 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c(F)c1 ZINC000433292503 1034184420 /nfs/dbraw/zinc/18/44/20/1034184420.db2.gz XJQVLLNUAVDBTR-GOSISDBHSA-N 1 0 344.386 4.255 20 5 EIBDRO CSCc1ccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000512972234 1034263012 /nfs/dbraw/zinc/26/30/12/1034263012.db2.gz RDAHDKUQIRMVQU-XQRVVYSFSA-N 1 0 328.437 4.261 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(CSC)cc1 ZINC000512978088 1034279482 /nfs/dbraw/zinc/27/94/82/1034279482.db2.gz XKMKNVOTCSDRKZ-UHFFFAOYSA-N 1 0 346.452 4.146 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@H](C)c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000513028246 1034336025 /nfs/dbraw/zinc/33/60/25/1034336025.db2.gz XHLWPNXLRYNYAW-CYBMUJFWSA-N 1 0 338.411 4.445 20 5 EIBDRO COc1cc(C[NH2+][C@H](C)c2ccc(C3CC3)cc2)c([N+](=O)[O-])cc1F ZINC000419335851 1034353012 /nfs/dbraw/zinc/35/30/12/1034353012.db2.gz KGNLMKVJZCDAFW-GFCCVEGCSA-N 1 0 344.386 4.471 20 5 EIBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000513067267 1034466037 /nfs/dbraw/zinc/46/60/37/1034466037.db2.gz DBAKDXPPIGOOJT-YESZJQIVSA-N 1 0 346.452 4.097 20 5 EIBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000513077869 1034498089 /nfs/dbraw/zinc/49/80/89/1034498089.db2.gz VWVMNMKZCBKASO-YZGWKJHDSA-N 1 0 340.423 4.036 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(OC2CCCC2)CC1 ZINC000182721745 1034984224 /nfs/dbraw/zinc/98/42/24/1034984224.db2.gz YDVYYTCHXHZFBY-OAHLLOKOSA-N 1 0 332.444 4.388 20 5 EIBDRO CCCOc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595011278 1035504453 /nfs/dbraw/zinc/50/44/53/1035504453.db2.gz LKDPAKFXUGEUMB-CQSZACIVSA-N 1 0 344.411 4.243 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000595011802 1035504815 /nfs/dbraw/zinc/50/48/15/1035504815.db2.gz FHMKILHZXSZSBY-OLZOCXBDSA-N 1 0 332.375 4.463 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(SC)cc1 ZINC000595016233 1035508427 /nfs/dbraw/zinc/50/84/27/1035508427.db2.gz IWXQEVMIVSJXKO-GFCCVEGCSA-N 1 0 332.425 4.176 20 5 EIBDRO C[C@]1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1(F)F ZINC000594987156 1035518743 /nfs/dbraw/zinc/51/87/43/1035518743.db2.gz WWYVQDFICPWLKB-OAHLLOKOSA-N 1 0 338.379 4.458 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]CCC2(CSC)CC2)cc1[N+](=O)[O-] ZINC000595070307 1035551457 /nfs/dbraw/zinc/55/14/57/1035551457.db2.gz NEILMXOKCUGXFQ-CYBMUJFWSA-N 1 0 338.473 4.177 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595071738 1035555332 /nfs/dbraw/zinc/55/53/32/1035555332.db2.gz DECCVYQXJHZVBA-IAQYHMDHSA-N 1 0 346.349 4.136 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cc3cnccc3o2)cc1[N+](=O)[O-] ZINC000595030246 1035557349 /nfs/dbraw/zinc/55/73/49/1035557349.db2.gz ZQAXFPGMQFNVAD-STQMWFEESA-N 1 0 325.368 4.456 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1(c2ccccc2C)CC1 ZINC000595044538 1035565368 /nfs/dbraw/zinc/56/53/68/1035565368.db2.gz JMHLTFZQIYZKRN-AWEZNQCLSA-N 1 0 326.396 4.252 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCCC1(F)F ZINC000595039720 1035566037 /nfs/dbraw/zinc/56/60/37/1035566037.db2.gz BGCKXPLVUQIIJH-NWDGAFQWSA-N 1 0 328.359 4.080 20 5 EIBDRO CSCC1(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000595075038 1035594706 /nfs/dbraw/zinc/59/47/06/1035594706.db2.gz XEHCGJSTLSMLRM-MRXNPFEDSA-N 1 0 334.485 4.039 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1nsc2ccccc12 ZINC000595096445 1035603033 /nfs/dbraw/zinc/60/30/33/1035603033.db2.gz ZBVBJQWXZQXMHI-HNNXBMFYSA-N 1 0 339.420 4.024 20 5 EIBDRO CC(C)[C@@H](O)[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000595095101 1035604913 /nfs/dbraw/zinc/60/49/13/1035604913.db2.gz FMCXFSDHCRMMGZ-GDIGMMSISA-N 1 0 328.412 4.004 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000595097038 1035606447 /nfs/dbraw/zinc/60/64/47/1035606447.db2.gz GNPREYSOUFSYKS-OPGSHWCFSA-N 1 0 340.370 4.222 20 5 EIBDRO Cc1noc(C[N@@H+](C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000595334488 1035628602 /nfs/dbraw/zinc/62/86/02/1035628602.db2.gz QYBHFRFVRBCKES-ZYHUDNBSSA-N 1 0 337.807 4.169 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000575078234 1035710546 /nfs/dbraw/zinc/71/05/46/1035710546.db2.gz NWODDHOMAATMQX-UHFFFAOYSA-N 1 0 336.313 4.393 20 5 EIBDRO CC[NH+](CC)C[C@H](C)N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491039048 1035779924 /nfs/dbraw/zinc/77/99/24/1035779924.db2.gz QSNLSDGVOJVIMJ-JXFKEZNVSA-N 1 0 341.455 4.004 20 5 EIBDRO O=[N+]([O-])c1cc(NC2CC[NH+](C3CCC3)CC2)ccc1C(F)(F)F ZINC000596257601 1035843898 /nfs/dbraw/zinc/84/38/98/1035843898.db2.gz BYLIAIQYRPZGEA-UHFFFAOYSA-N 1 0 343.349 4.042 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000485706945 1036182907 /nfs/dbraw/zinc/18/29/07/1036182907.db2.gz CJLVQWHWBAYLET-LBPRGKRZSA-N 1 0 327.409 4.364 20 5 EIBDRO COc1ccc(CN(C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)c(OC)c1 ZINC000485712784 1036198352 /nfs/dbraw/zinc/19/83/52/1036198352.db2.gz AJTBGFRFVLSOQF-CQSZACIVSA-N 1 0 344.411 4.113 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000485720115 1036206314 /nfs/dbraw/zinc/20/63/14/1036206314.db2.gz QNTZOWZLCFLKLH-MRXNPFEDSA-N 1 0 338.329 4.339 20 5 EIBDRO COc1cc(CN(C)[C@@H](C)c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000485742267 1036239814 /nfs/dbraw/zinc/23/98/14/1036239814.db2.gz GIIXCABZWZUFCM-NSHDSACASA-N 1 0 336.338 4.075 20 5 EIBDRO COC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000571775772 1036251665 /nfs/dbraw/zinc/25/16/65/1036251665.db2.gz HKFHZEKSOHCXQS-SJORKVTESA-N 1 0 346.814 4.213 20 5 EIBDRO CC[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000588232543 1036307146 /nfs/dbraw/zinc/30/71/46/1036307146.db2.gz MOYCKKCSJCFPFJ-QAPCUYQASA-N 1 0 348.830 4.065 20 5 EIBDRO CCSCCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000502563735 1036358178 /nfs/dbraw/zinc/35/81/78/1036358178.db2.gz AAPQGLNNSPOKCN-GOSISDBHSA-N 1 0 330.453 4.417 20 5 EIBDRO Cc1ccccc1[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602647792 1036542460 /nfs/dbraw/zinc/54/24/60/1036542460.db2.gz NPJKCNMCYSOPLG-HDJSIYSDSA-N 1 0 337.379 4.080 20 5 EIBDRO O=[N+]([O-])c1cc(F)ccc1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000060864898 1036583408 /nfs/dbraw/zinc/58/34/08/1036583408.db2.gz WMEJATFYEADZJO-UHFFFAOYSA-N 1 0 349.431 4.120 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@@H]3C[C@@H]3c3ccccc3)c2c1 ZINC000588933814 1036606286 /nfs/dbraw/zinc/60/62/86/1036606286.db2.gz AAAGYRYAJWGOIH-FUHWJXTLSA-N 1 0 335.407 4.012 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@H]3C[C@H]3c3ccccc3)c2c1 ZINC000588933813 1036606920 /nfs/dbraw/zinc/60/69/20/1036606920.db2.gz AAAGYRYAJWGOIH-AEFFLSMTSA-N 1 0 335.407 4.012 20 5 EIBDRO C[NH+](C)[C@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])c1cccs1 ZINC000589103485 1036656796 /nfs/dbraw/zinc/65/67/96/1036656796.db2.gz MMLFXPHRMCVRNQ-CYBMUJFWSA-N 1 0 341.383 4.309 20 5 EIBDRO CC1CC[NH+](CCCNc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000589107093 1036668187 /nfs/dbraw/zinc/66/81/87/1036668187.db2.gz ZKMSGJXGCKOYJM-UHFFFAOYSA-N 1 0 327.375 4.066 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Cc2nccs2)CC1 ZINC000602954950 1036685080 /nfs/dbraw/zinc/68/50/80/1036685080.db2.gz JPHHBAYLXKIXHN-ZDUSSCGKSA-N 1 0 331.441 4.067 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000589200204 1036709013 /nfs/dbraw/zinc/70/90/13/1036709013.db2.gz WJKXSVIJKNQLJS-LWUPMFFHSA-N 1 0 344.455 4.137 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC[C@@H]2CC2(F)F)c2ccccc2)c1 ZINC000598679502 1036744094 /nfs/dbraw/zinc/74/40/94/1036744094.db2.gz HZYCSQHZUOLDGM-WBVHZDCISA-N 1 0 332.350 4.319 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CC1(F)F ZINC000598679861 1036746532 /nfs/dbraw/zinc/74/65/32/1036746532.db2.gz OKYJGZOTHHPNGB-NWDGAFQWSA-N 1 0 330.400 4.100 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000421855633 1036810616 /nfs/dbraw/zinc/81/06/16/1036810616.db2.gz MLXIIWLFDDGMHM-KFWWJZLASA-N 1 0 338.473 4.013 20 5 EIBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599015709 1036853177 /nfs/dbraw/zinc/85/31/77/1036853177.db2.gz KEHLRMNOAOIMFC-AWEZNQCLSA-N 1 0 330.432 4.065 20 5 EIBDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486802287 1036864534 /nfs/dbraw/zinc/86/45/34/1036864534.db2.gz WUWIAQGUIYBLLD-CZUORRHYSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1ccc(C(C)(C)C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])nc1 ZINC000599068697 1036868360 /nfs/dbraw/zinc/86/83/60/1036868360.db2.gz CPNHFLDCJHMMFZ-MRXNPFEDSA-N 1 0 341.455 4.187 20 5 EIBDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000599093283 1036876801 /nfs/dbraw/zinc/87/68/01/1036876801.db2.gz WTHRRCUVEXBQSW-MELADBBJSA-N 1 0 346.452 4.399 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3(C4CCC4)CC3)cs2)c1 ZINC000593676923 1036878372 /nfs/dbraw/zinc/87/83/72/1036878372.db2.gz PVVODSCHJCCMHA-UHFFFAOYSA-N 1 0 329.425 4.141 20 5 EIBDRO C[C@H](c1cc2ccccc2o1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000603662473 1036931967 /nfs/dbraw/zinc/93/19/67/1036931967.db2.gz CVECSEZXDGLEQF-CQSZACIVSA-N 1 0 340.379 4.413 20 5 EIBDRO CC[NH+](CC)[C@@H](CNc1cccnc1[N+](=O)[O-])c1ccccc1Cl ZINC000603839060 1037020153 /nfs/dbraw/zinc/02/01/53/1037020153.db2.gz LLYIUEYFKGUKGA-INIZCTEOSA-N 1 0 348.834 4.138 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCC(OC(F)F)CC1 ZINC000590780202 1037163460 /nfs/dbraw/zinc/16/34/60/1037163460.db2.gz ZMNIYYUGLKLUBA-LKSINWNRSA-N 1 0 328.359 4.104 20 5 EIBDRO C[C@@H]([NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000488043042 1037337864 /nfs/dbraw/zinc/33/78/64/1037337864.db2.gz NZJNHUMWWBFDRO-CYBMUJFWSA-N 1 0 331.391 4.275 20 5 EIBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CS1 ZINC000488527412 1037651703 /nfs/dbraw/zinc/65/17/03/1037651703.db2.gz BRVBBBQNLVUNJF-FZMZJTMJSA-N 1 0 328.865 4.258 20 5 EIBDRO COc1cc(C[NH2+]C2(c3cccc(Cl)c3)CCC2)ccc1[N+](=O)[O-] ZINC000592183504 1037779514 /nfs/dbraw/zinc/77/95/14/1037779514.db2.gz JPPHSEZKKGIMDF-UHFFFAOYSA-N 1 0 346.814 4.426 20 5 EIBDRO CCC[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000503858869 1037944473 /nfs/dbraw/zinc/94/44/73/1037944473.db2.gz SIEOYSJFTTXVIN-QZTJIDSGSA-N 1 0 332.444 4.375 20 5 EIBDRO CCC[C@H]([NH2+][C@H](CCO)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000592401848 1038000403 /nfs/dbraw/zinc/00/04/03/1038000403.db2.gz DARBJLVWOXUETE-RBUKOAKNSA-N 1 0 346.402 4.288 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCCOC1 ZINC000503912348 1038011972 /nfs/dbraw/zinc/01/19/72/1038011972.db2.gz NLXGVGYTZCZOHV-DZGCQCFKSA-N 1 0 346.452 4.228 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@H]2CCCCO2)s1 ZINC000503929954 1038021257 /nfs/dbraw/zinc/02/12/57/1038021257.db2.gz OIKSDFHOOSUWLU-CQSZACIVSA-N 1 0 346.452 4.372 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1cccc2[nH]ccc21)C1CC1 ZINC000503952514 1038041729 /nfs/dbraw/zinc/04/17/29/1038041729.db2.gz JYBUZVKEQGHKSN-HXUWFJFHSA-N 1 0 349.434 4.230 20 5 EIBDRO O=[N+]([O-])c1c(F)cccc1NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063255634 1038142974 /nfs/dbraw/zinc/14/29/74/1038142974.db2.gz DXQKJBPMAQCXJU-UHFFFAOYSA-N 1 0 343.402 4.058 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000423427461 1038229741 /nfs/dbraw/zinc/22/97/41/1038229741.db2.gz QMGJWMQDUIWGPO-PXAZEXFGSA-N 1 0 341.411 4.130 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1cccc([N+](=O)[O-])c1 ZINC000423429318 1038232950 /nfs/dbraw/zinc/23/29/50/1038232950.db2.gz SJYJTVXBPDDXLF-PXAZEXFGSA-N 1 0 341.411 4.130 20 5 EIBDRO C[C@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000173403330 1038311364 /nfs/dbraw/zinc/31/13/64/1038311364.db2.gz QPIFCDCPRAHOFW-XOBRGWDASA-N 1 0 336.391 4.132 20 5 EIBDRO COc1cc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000490015850 1038316174 /nfs/dbraw/zinc/31/61/74/1038316174.db2.gz WOTKDWNQXYOJMW-SFHVURJKSA-N 1 0 338.407 4.255 20 5 EIBDRO CCCCOCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000490117799 1038349142 /nfs/dbraw/zinc/34/91/42/1038349142.db2.gz ICANZEHGQGDLMD-LJQANCHMSA-N 1 0 328.412 4.091 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCc2ccc(O)cc2)c2ccccc2)c1 ZINC000490145541 1038360249 /nfs/dbraw/zinc/36/02/49/1038360249.db2.gz UYZVBGKALOANLW-OAQYLSRUSA-N 1 0 348.402 4.222 20 5 EIBDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000490405158 1038628927 /nfs/dbraw/zinc/62/89/27/1038628927.db2.gz WANIAHCBYWDZJX-IBGZPJMESA-N 1 0 343.402 4.137 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000480768146 1038792311 /nfs/dbraw/zinc/79/23/11/1038792311.db2.gz VEQYDKXVAKGALT-XNRPHZJLSA-N 1 0 346.452 4.277 20 5 EIBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000539038050 1038794114 /nfs/dbraw/zinc/79/41/14/1038794114.db2.gz RLQGHNWMTUKDLM-LBKNJMOBSA-N 1 0 346.471 4.099 20 5 EIBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000539083394 1038814979 /nfs/dbraw/zinc/81/49/79/1038814979.db2.gz IDQAEMJPHGTIIO-SJCJKPOMSA-N 1 0 334.803 4.287 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000504899460 1038833763 /nfs/dbraw/zinc/83/37/63/1038833763.db2.gz HCKFPMHTYIIELC-HNNXBMFYSA-N 1 0 328.412 4.461 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000504920346 1038842510 /nfs/dbraw/zinc/84/25/10/1038842510.db2.gz NTNNSFCENOVJMI-DYVFJYSZSA-N 1 0 326.396 4.250 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]C/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000504921186 1038844767 /nfs/dbraw/zinc/84/47/67/1038844767.db2.gz RYTPTLLIENXSLY-XMELGKRDSA-N 1 0 326.396 4.358 20 5 EIBDRO Cn1cc(C[NH2+]CCCC2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237911200 1038855105 /nfs/dbraw/zinc/85/51/05/1038855105.db2.gz JRPWUCUKMBAZGU-UHFFFAOYSA-N 1 0 342.443 4.055 20 5 EIBDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 ZINC000504926011 1038857209 /nfs/dbraw/zinc/85/72/09/1038857209.db2.gz GHQDOTBVSQNDSQ-CQSZACIVSA-N 1 0 344.411 4.243 20 5 EIBDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000539227467 1038892638 /nfs/dbraw/zinc/89/26/38/1038892638.db2.gz SMKYRCZVUPVRTI-YOEHRIQHSA-N 1 0 346.452 4.228 20 5 EIBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000539227463 1038892731 /nfs/dbraw/zinc/89/27/31/1038892731.db2.gz SMKYRCZVUPVRTI-RHSMWYFYSA-N 1 0 346.452 4.228 20 5 EIBDRO C[C@H](C[C@@H]1CCCO1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000608837842 1038921782 /nfs/dbraw/zinc/92/17/82/1038921782.db2.gz PDKZIFIRHLROSO-KGLIPLIRSA-N 1 0 346.452 4.371 20 5 EIBDRO C[C@@H]1C[C@@H](CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@H](C)O1 ZINC000555225639 1038994807 /nfs/dbraw/zinc/99/48/07/1038994807.db2.gz MYXBUHSRGMKCAC-YYAJDYIMSA-N 1 0 346.471 4.099 20 5 EIBDRO CC[NH+](CC)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000505271170 1039178948 /nfs/dbraw/zinc/17/89/48/1039178948.db2.gz FXBWRCPWJIZKHS-UHFFFAOYSA-N 1 0 344.411 4.024 20 5 EIBDRO C[C@H]1C[C@H](C)C[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000505338708 1039222237 /nfs/dbraw/zinc/22/22/37/1039222237.db2.gz QMAJWWZIBRRKSH-STQMWFEESA-N 1 0 331.441 4.196 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000513824802 1039302814 /nfs/dbraw/zinc/30/28/14/1039302814.db2.gz QYKUGTZMGDRPGD-NZSAHSFTSA-N 1 0 346.471 4.101 20 5 EIBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000481375617 1039362855 /nfs/dbraw/zinc/36/28/55/1039362855.db2.gz IOXLGOLXDYOZPO-PXAZEXFGSA-N 1 0 334.803 4.114 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000552333332 1039387383 /nfs/dbraw/zinc/38/73/83/1039387383.db2.gz BKZKMWJVULTINV-UONOGXRCSA-N 1 0 338.411 4.143 20 5 EIBDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCc2cccnc21 ZINC000481438986 1039415048 /nfs/dbraw/zinc/41/50/48/1039415048.db2.gz SOJWIMXEOYQYFC-SFHVURJKSA-N 1 0 325.412 4.279 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3F)o2)c(Cl)c1 ZINC000555643186 1039484769 /nfs/dbraw/zinc/48/47/69/1039484769.db2.gz YSCZMMXXLYCKNW-LSDHHAIUSA-N 1 0 338.766 4.488 20 5 EIBDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000481476468 1039486754 /nfs/dbraw/zinc/48/67/54/1039486754.db2.gz ACQYNTBESXTGAL-YVEFUNNKSA-N 1 0 334.803 4.114 20 5 EIBDRO COc1ccc(C[NH+]2CCC(F)(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000434501249 1039570251 /nfs/dbraw/zinc/57/02/51/1039570251.db2.gz WCKHBPINGIHJCE-UHFFFAOYSA-N 1 0 344.386 4.064 20 5 EIBDRO CCCC[C@H](CC)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000514094502 1039601330 /nfs/dbraw/zinc/60/13/30/1039601330.db2.gz NMSVTCFISCNSHA-MAUKXSAKSA-N 1 0 344.459 4.224 20 5 EIBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])nc1)c1ccccc1Cl ZINC000555877540 1039776107 /nfs/dbraw/zinc/77/61/07/1039776107.db2.gz WKADJDGRYNFCPV-INIZCTEOSA-N 1 0 348.834 4.138 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCS3)s2)cc1 ZINC000237989466 1039779594 /nfs/dbraw/zinc/77/95/94/1039779594.db2.gz KACKTTDHIPZVAB-AWEZNQCLSA-N 1 0 334.466 4.309 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2nc(C3CCCCC3)cs2)cc1 ZINC000237981231 1039786653 /nfs/dbraw/zinc/78/66/53/1039786653.db2.gz RSCLFGQUCMKJEV-UHFFFAOYSA-N 1 0 345.468 4.431 20 5 EIBDRO CCc1nc2c(s1)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000478497936 1039789178 /nfs/dbraw/zinc/78/91/78/1039789178.db2.gz LLJVHBYUARCVGQ-CYBMUJFWSA-N 1 0 331.441 4.089 20 5 EIBDRO CCOC1(C)CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000430102933 1039846139 /nfs/dbraw/zinc/84/61/39/1039846139.db2.gz KLIOAQBCBMUALP-UHFFFAOYSA-N 1 0 344.411 4.246 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OC(F)F)CCC2 ZINC000192627268 1039848743 /nfs/dbraw/zinc/84/87/43/1039848743.db2.gz NNNWBHBMSCMBAS-INIZCTEOSA-N 1 0 348.349 4.363 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CCc3sc(Cl)cc32)cc1[N+](=O)[O-] ZINC000552899484 1039859999 /nfs/dbraw/zinc/85/99/99/1039859999.db2.gz QFDMNJGMRCKGHM-NSHDSACASA-N 1 0 338.816 4.095 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C(=O)OC)cc1 ZINC000551006793 1039869297 /nfs/dbraw/zinc/86/92/97/1039869297.db2.gz WSWBBHQXRZEPEE-UGSOOPFHSA-N 1 0 342.395 4.183 20 5 EIBDRO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000122135576 1039883781 /nfs/dbraw/zinc/88/37/81/1039883781.db2.gz NQLQAIMPYGSDJS-ZDUSSCGKSA-N 1 0 333.457 4.424 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(C)nc1 ZINC000535066302 1039905198 /nfs/dbraw/zinc/90/51/98/1039905198.db2.gz JAHPHFMPBYZDDO-INIZCTEOSA-N 1 0 345.468 4.001 20 5 EIBDRO CCN(CC)[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000481956232 1039912901 /nfs/dbraw/zinc/91/29/01/1039912901.db2.gz CCQJMWHOJHZFOJ-QAPCUYQASA-N 1 0 345.443 4.230 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000479257252 1040229816 /nfs/dbraw/zinc/22/98/16/1040229816.db2.gz PQZKYLZYNUOLLO-HNNXBMFYSA-N 1 0 332.787 4.034 20 5 EIBDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000535562442 1040360862 /nfs/dbraw/zinc/36/08/62/1040360862.db2.gz XPEVXYQZNGANLT-DYVFJYSZSA-N 1 0 329.400 4.260 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(C(F)F)CC1 ZINC000479456957 1040364932 /nfs/dbraw/zinc/36/49/32/1040364932.db2.gz WVTDGDIBYKUDBE-LLVKDONJSA-N 1 0 330.400 4.100 20 5 EIBDRO COc1ccc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000491250850 1040411299 /nfs/dbraw/zinc/41/12/99/1040411299.db2.gz UYQPHAHLOLQCJV-UHFFFAOYSA-N 1 0 344.386 4.122 20 5 EIBDRO CCOc1ccc(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)cc1F ZINC000152799846 1040445893 /nfs/dbraw/zinc/44/58/93/1040445893.db2.gz PKUPKAZWFDTRIV-QGZVFWFLSA-N 1 0 332.375 4.374 20 5 EIBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000325480219 1040465974 /nfs/dbraw/zinc/46/59/74/1040465974.db2.gz VUTOSEOSDXTXON-AWEZNQCLSA-N 1 0 330.432 4.065 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000515073760 1040476778 /nfs/dbraw/zinc/47/67/78/1040476778.db2.gz STHQZJRDWQLFQW-XFQXTVEOSA-N 1 0 338.407 4.092 20 5 EIBDRO COc1cccc2cc([C@H](C)[NH2+]CCc3cccc([N+](=O)[O-])c3)oc21 ZINC000539507122 1040487491 /nfs/dbraw/zinc/48/74/91/1040487491.db2.gz DHPNSEOHFJADFU-ZDUSSCGKSA-N 1 0 340.379 4.243 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H](c4ccccc4)C3)co2)cc1 ZINC000089891090 1040527337 /nfs/dbraw/zinc/52/73/37/1040527337.db2.gz GVHDBCYFYJHNIS-KRWDZBQOSA-N 1 0 349.390 4.239 20 5 EIBDRO C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482894909 1040555899 /nfs/dbraw/zinc/55/58/99/1040555899.db2.gz XRFQXAXZDRIJRE-KZULUSFZSA-N 1 0 346.452 4.135 20 5 EIBDRO CCSCC[C@H](C)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089913168 1040605346 /nfs/dbraw/zinc/60/53/46/1040605346.db2.gz YWSDMVAQEKDXPW-ZDUSSCGKSA-N 1 0 349.456 4.213 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000435777113 1040625981 /nfs/dbraw/zinc/62/59/81/1040625981.db2.gz CALGFBPDDSSJKN-KOMQPUFPSA-N 1 0 346.814 4.293 20 5 EIBDRO CCOCCC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000479785468 1040655885 /nfs/dbraw/zinc/65/58/85/1040655885.db2.gz ZMNROQYJHZLWGZ-CYBMUJFWSA-N 1 0 334.441 4.401 20 5 EIBDRO Cc1c(CNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000477739527 1040747183 /nfs/dbraw/zinc/74/71/83/1040747183.db2.gz CKKIGJAHVNZRBD-BEFAXECRSA-N 1 0 345.487 4.036 20 5 EIBDRO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000537724808 1040774777 /nfs/dbraw/zinc/77/47/77/1040774777.db2.gz FVXAPZVTJBUTAI-QGZVFWFLSA-N 1 0 344.411 4.102 20 5 EIBDRO CC[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000193023867 1040791556 /nfs/dbraw/zinc/79/15/56/1040791556.db2.gz HWOGXLYTQZPBDK-MSOLQXFVSA-N 1 0 343.427 4.066 20 5 EIBDRO Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000443218876 1040800820 /nfs/dbraw/zinc/80/08/20/1040800820.db2.gz UOECOSKSRIFQRM-YRNRMSPPSA-N 1 0 341.455 4.245 20 5 EIBDRO C[C@H]([NH2+]CCN1CCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000480022711 1040859815 /nfs/dbraw/zinc/85/98/15/1040859815.db2.gz XUMFVPJZNQVPCK-AWEZNQCLSA-N 1 0 345.468 4.070 20 5 EIBDRO CC1(C)CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000462727860 1040860574 /nfs/dbraw/zinc/86/05/74/1040860574.db2.gz XPLDORQETBNMPD-UHFFFAOYSA-N 1 0 328.359 4.255 20 5 EIBDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000537869264 1040863337 /nfs/dbraw/zinc/86/33/37/1040863337.db2.gz MMMWIXMUWGPLBY-LIRRHRJNSA-N 1 0 344.411 4.148 20 5 EIBDRO COc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000483616228 1040913790 /nfs/dbraw/zinc/91/37/90/1040913790.db2.gz AXHVPOHRYDVGKH-CABCVRRESA-N 1 0 344.411 4.030 20 5 EIBDRO CC[C@H]([NH2+]C[C@H](C)Oc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000483631875 1040922217 /nfs/dbraw/zinc/92/22/17/1040922217.db2.gz CJAWPTLDBLAOBX-LIRRHRJNSA-N 1 0 344.411 4.112 20 5 EIBDRO COc1cccc(OCCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000537985277 1040959924 /nfs/dbraw/zinc/95/99/24/1040959924.db2.gz YJLVRUOOSJMWCH-HNNXBMFYSA-N 1 0 344.411 4.032 20 5 EIBDRO CC(C)[C@H](O)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483727521 1040996663 /nfs/dbraw/zinc/99/66/63/1040996663.db2.gz OJQSKQRTYBSZGB-XJKSGUPXSA-N 1 0 348.468 4.381 20 5 EIBDRO C[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC12CCC2 ZINC000540042746 1041066633 /nfs/dbraw/zinc/06/66/33/1041066633.db2.gz KMAPDTMPBCUEAV-CQSZACIVSA-N 1 0 341.411 4.262 20 5 EIBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000540055677 1041075929 /nfs/dbraw/zinc/07/59/29/1041075929.db2.gz KARZZHQZLLMPKP-DZGCQCFKSA-N 1 0 329.400 4.055 20 5 EIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000505802382 1041144911 /nfs/dbraw/zinc/14/49/11/1041144911.db2.gz NFQUVAYAELDWPB-HNNXBMFYSA-N 1 0 332.350 4.080 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000540159613 1041189858 /nfs/dbraw/zinc/18/98/58/1041189858.db2.gz AXQQMJLIGDZHHP-YPMHNXCESA-N 1 0 328.359 4.222 20 5 EIBDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000540149615 1041198938 /nfs/dbraw/zinc/19/89/38/1041198938.db2.gz UHTIGFUZWDPAGC-LBPRGKRZSA-N 1 0 332.350 4.255 20 5 EIBDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000538276958 1041235052 /nfs/dbraw/zinc/23/50/52/1041235052.db2.gz VGAMLWDMYMCXSS-QGZVFWFLSA-N 1 0 328.412 4.480 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc3c2NCCC3)cc1[N+](=O)[O-] ZINC000894315375 1041255996 /nfs/dbraw/zinc/25/59/96/1041255996.db2.gz FCLSNJAKDVKHOU-AWEZNQCLSA-N 1 0 325.412 4.112 20 5 EIBDRO Cc1c(C[NH2+]Cc2cccc(-c3ccncc3)c2)cccc1[N+](=O)[O-] ZINC000480483359 1041323288 /nfs/dbraw/zinc/32/32/88/1041323288.db2.gz PNNBQHHVSOEOMT-UHFFFAOYSA-N 1 0 333.391 4.255 20 5 EIBDRO CO[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000538429652 1041334602 /nfs/dbraw/zinc/33/46/02/1041334602.db2.gz YLNQXQQXSOZRAM-WLPBJKJWSA-N 1 0 346.814 4.239 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1cccc(Cl)c1 ZINC000540323822 1041382786 /nfs/dbraw/zinc/38/27/86/1041382786.db2.gz DGYULUCKLITKNA-MRXNPFEDSA-N 1 0 334.803 4.498 20 5 EIBDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540324579 1041383349 /nfs/dbraw/zinc/38/33/49/1041383349.db2.gz BTELTJLNFBWJMB-DYVFJYSZSA-N 1 0 346.452 4.228 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ccc(Cl)cn3)C2)cc1 ZINC000516148350 1041429631 /nfs/dbraw/zinc/42/96/31/1041429631.db2.gz KESXPSLSIMKNSD-AWEZNQCLSA-N 1 0 331.803 4.023 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCCc2c(Cl)ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000924797781 1041446303 /nfs/dbraw/zinc/44/63/03/1041446303.db2.gz IBQAIPPCXILXET-BZNIZROVSA-N 1 0 331.803 4.371 20 5 EIBDRO CC(C)[N@H+](CCC(=O)c1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000538623777 1041446830 /nfs/dbraw/zinc/44/68/30/1041446830.db2.gz WBMUOQNISFNKPS-UHFFFAOYSA-N 1 0 344.386 4.217 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)C(F)(F)F ZINC000480665263 1041470300 /nfs/dbraw/zinc/47/03/00/1041470300.db2.gz OBTJOYMNZTUEMY-QWRGUYRKSA-N 1 0 336.379 4.254 20 5 EIBDRO Cc1[nH]c2ccccc2c1CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000540595489 1041551142 /nfs/dbraw/zinc/55/11/42/1041551142.db2.gz WPPAUHUDABEMIL-VURMDHGXSA-N 1 0 335.407 4.230 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000540607875 1041561406 /nfs/dbraw/zinc/56/14/06/1041561406.db2.gz GCRYXZFSTSADSS-VBHSOAQHSA-N 1 0 332.375 4.161 20 5 EIBDRO CCC1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000540612001 1041564151 /nfs/dbraw/zinc/56/41/51/1041564151.db2.gz AQSXWTUVTTUBMW-UHFFFAOYSA-N 1 0 342.443 4.055 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000540662082 1041591235 /nfs/dbraw/zinc/59/12/35/1041591235.db2.gz IQVAJCVGTPGBGO-CJNGLKHVSA-N 1 0 345.830 4.178 20 5 EIBDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000437073354 1041634927 /nfs/dbraw/zinc/63/49/27/1041634927.db2.gz GICKCZLZEPZQMU-JSGCOSHPSA-N 1 0 332.366 4.483 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(-c3cccnc3)c2)c(F)c1 ZINC000463747238 1041736884 /nfs/dbraw/zinc/73/68/84/1041736884.db2.gz ICSJAURCJVMGNF-UHFFFAOYSA-N 1 0 337.354 4.086 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000460351305 1041817863 /nfs/dbraw/zinc/81/78/63/1041817863.db2.gz AHVJUVHTSUKDKZ-RBUKOAKNSA-N 1 0 328.387 4.202 20 5 EIBDRO CCSCC[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000464049901 1041836601 /nfs/dbraw/zinc/83/66/01/1041836601.db2.gz KSZTWXSEBVAUPU-CYBMUJFWSA-N 1 0 334.441 4.476 20 5 EIBDRO CCSCC[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000464043482 1041840613 /nfs/dbraw/zinc/84/06/13/1041840613.db2.gz PNJBNZWJCNIJGL-CYBMUJFWSA-N 1 0 334.441 4.476 20 5 EIBDRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000517134403 1041879193 /nfs/dbraw/zinc/87/91/93/1041879193.db2.gz AFOSLQCBALXFQG-CHWSQXEVSA-N 1 0 344.415 4.044 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2SCCc3ccccc32)c(Cl)c1 ZINC000541551804 1042010040 /nfs/dbraw/zinc/01/00/40/1042010040.db2.gz IOTAWCYQLQJBLF-KRWDZBQOSA-N 1 0 348.855 4.368 20 5 EIBDRO CCCC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCC1 ZINC000541592558 1042024865 /nfs/dbraw/zinc/02/48/65/1042024865.db2.gz OQVSZOHQOBVHPY-GOSISDBHSA-N 1 0 347.459 4.180 20 5 EIBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000090176533 1042056916 /nfs/dbraw/zinc/05/69/16/1042056916.db2.gz LIYZFUSEZBBZLJ-ACJLOTCBSA-N 1 0 332.375 4.081 20 5 EIBDRO C[C@@H](Cc1ccccc1F)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000437793631 1042116654 /nfs/dbraw/zinc/11/66/54/1042116654.db2.gz NTTGIHKJMUWJLE-LBPRGKRZSA-N 1 0 336.794 4.151 20 5 EIBDRO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000464729086 1042142647 /nfs/dbraw/zinc/14/26/47/1042142647.db2.gz ZGUSGFVDSNJEPY-LIRRHRJNSA-N 1 0 328.387 4.360 20 5 EIBDRO CCCC1CCC(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000425991419 1042161181 /nfs/dbraw/zinc/16/11/81/1042161181.db2.gz VJFCZBBAPRNMRL-UHFFFAOYSA-N 1 0 334.464 4.035 20 5 EIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000464782967 1042162024 /nfs/dbraw/zinc/16/20/24/1042162024.db2.gz DCGASFLBHDJBNC-UHFFFAOYSA-N 1 0 346.814 4.292 20 5 EIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCSC1 ZINC000506235576 1042182410 /nfs/dbraw/zinc/18/24/10/1042182410.db2.gz WLRLTQVQGXMZTD-CQSZACIVSA-N 1 0 334.466 4.261 20 5 EIBDRO CCC[C@@]1(C)CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000464841020 1042192090 /nfs/dbraw/zinc/19/20/90/1042192090.db2.gz VYOWIJYCRVPFQE-SFHVURJKSA-N 1 0 344.415 4.047 20 5 EIBDRO C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000464858277 1042202994 /nfs/dbraw/zinc/20/29/94/1042202994.db2.gz OMBFQHGFHCWWLV-GDBMZVCRSA-N 1 0 330.384 4.040 20 5 EIBDRO COc1cccc2c1CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000426058137 1042233128 /nfs/dbraw/zinc/23/31/28/1042233128.db2.gz ABEQDYUAYPSIMZ-WMLDXEAASA-N 1 0 340.423 4.120 20 5 EIBDRO COc1cccc2c1CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000426058138 1042233351 /nfs/dbraw/zinc/23/33/51/1042233351.db2.gz ABEQDYUAYPSIMZ-YOEHRIQHSA-N 1 0 340.423 4.120 20 5 EIBDRO C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000543229308 1042393207 /nfs/dbraw/zinc/39/32/07/1042393207.db2.gz ZCUBNVPKJGGCSN-HUUCEWRRSA-N 1 0 344.411 4.150 20 5 EIBDRO COCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000271814047 1042411416 /nfs/dbraw/zinc/41/14/16/1042411416.db2.gz REJWVMFXWKNXJL-CABCVRRESA-N 1 0 344.411 4.032 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271838532 1042438039 /nfs/dbraw/zinc/43/80/39/1042438039.db2.gz VPMXQSHEYCUFLV-OLZOCXBDSA-N 1 0 329.356 4.223 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCOC3CCCC3)s2)cc1 ZINC000518276559 1042455143 /nfs/dbraw/zinc/45/51/43/1042455143.db2.gz BLLKFWWECHQVTN-UHFFFAOYSA-N 1 0 346.452 4.372 20 5 EIBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000518474148 1042539943 /nfs/dbraw/zinc/53/99/43/1042539943.db2.gz NRPDXSZCKNWDTH-OAHLLOKOSA-N 1 0 344.411 4.065 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2OCCc3sccc32)cc1[N+](=O)[O-] ZINC000426311577 1042545938 /nfs/dbraw/zinc/54/59/38/1042545938.db2.gz QKJJJSACAFCURA-ZJNRKIDTSA-N 1 0 346.452 4.318 20 5 EIBDRO CC(C)([NH2+]C/C=C/c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000492150752 1042565873 /nfs/dbraw/zinc/56/58/73/1042565873.db2.gz KBLMVKYHQRZZOZ-AATRIKPKSA-N 1 0 332.350 4.411 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](CCc2ccccc2)Cc2ccncc2)cc1 ZINC000518549324 1042566391 /nfs/dbraw/zinc/56/63/91/1042566391.db2.gz XSWPXNREZUSDSX-UHFFFAOYSA-N 1 0 347.418 4.235 20 5 EIBDRO CCOc1cc(C[NH2+][C@@H](CC)c2ccc(OC)cc2)ccc1[N+](=O)[O-] ZINC000492580209 1042701940 /nfs/dbraw/zinc/70/19/40/1042701940.db2.gz CJIKJWSULSVIOC-KRWDZBQOSA-N 1 0 344.411 4.243 20 5 EIBDRO COc1cc(C[NH2+][C@H](c2ccccc2C)C2CC2)ccc1[N+](=O)[O-] ZINC000492878104 1042763451 /nfs/dbraw/zinc/76/34/51/1042763451.db2.gz QMUWCYRIPGUJPC-IBGZPJMESA-N 1 0 326.396 4.153 20 5 EIBDRO COc1cc(C[NH2+][C@H](C)C(C)(C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492935936 1042769864 /nfs/dbraw/zinc/76/98/64/1042769864.db2.gz IHWXEQWQTNZWFA-CQSZACIVSA-N 1 0 328.412 4.059 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCCc3nccs3)o2)c1 ZINC000347840501 1043178651 /nfs/dbraw/zinc/17/86/51/1043178651.db2.gz ZQGFQGSIWOTZDK-UHFFFAOYSA-N 1 0 343.408 4.034 20 5 EIBDRO O=C1CCCCN1CCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000730107745 1043445037 /nfs/dbraw/zinc/44/50/37/1043445037.db2.gz SDZUIQXVCCPQMH-UHFFFAOYSA-N 1 0 346.474 4.485 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@H]2C2CC2)cc(C(F)(F)F)c1 ZINC000494511103 1043527554 /nfs/dbraw/zinc/52/75/54/1043527554.db2.gz NPBMBDWCIFTZIL-GJZGRUSLSA-N 1 0 328.334 4.282 20 5 EIBDRO Cc1c(C[NH2+]Cc2cscc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000554975091 1043570025 /nfs/dbraw/zinc/57/00/25/1043570025.db2.gz ATKQQNJZLJBTTK-UHFFFAOYSA-N 1 0 330.331 4.273 20 5 EIBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000730933001 1043653408 /nfs/dbraw/zinc/65/34/08/1043653408.db2.gz RJIBNWLRNLQRTP-UHFFFAOYSA-N 1 0 332.350 4.432 20 5 EIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000078830981 1043795359 /nfs/dbraw/zinc/79/53/59/1043795359.db2.gz KKIRCFAUHVCRDY-HNNXBMFYSA-N 1 0 330.384 4.184 20 5 EIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000078830968 1043795555 /nfs/dbraw/zinc/79/55/55/1043795555.db2.gz KKIRCFAUHVCRDY-OAHLLOKOSA-N 1 0 330.384 4.184 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCNc1ccccc1F ZINC000542488446 1043800582 /nfs/dbraw/zinc/80/05/82/1043800582.db2.gz ROFWVUAPWJXUMQ-CQSZACIVSA-N 1 0 331.391 4.195 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1cccc([N+](=O)[O-])c1 ZINC000423429321 1043848706 /nfs/dbraw/zinc/84/87/06/1043848706.db2.gz SJYJTVXBPDDXLF-YVEFUNNKSA-N 1 0 341.411 4.130 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000443063999 1043986033 /nfs/dbraw/zinc/98/60/33/1043986033.db2.gz OEECRIZTKOKICL-OVCLIPMQSA-N 1 0 340.427 4.044 20 5 EIBDRO Cc1cccc2oc(CC[NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3C)nc21 ZINC000521848558 1044022357 /nfs/dbraw/zinc/02/23/57/1044022357.db2.gz KLNLVVIHTXCTKY-CQSZACIVSA-N 1 0 339.395 4.246 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000732988573 1044065272 /nfs/dbraw/zinc/06/52/72/1044065272.db2.gz IUXHUGRIUFBCBI-SFHVURJKSA-N 1 0 332.350 4.253 20 5 EIBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000067949795 1044082125 /nfs/dbraw/zinc/08/21/25/1044082125.db2.gz PQIZOZKUPPPMJB-CQSZACIVSA-N 1 0 330.432 4.065 20 5 EIBDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000543227674 1044191343 /nfs/dbraw/zinc/19/13/43/1044191343.db2.gz KJRRINDYFPVEIQ-CABCVRRESA-N 1 0 344.411 4.150 20 5 EIBDRO CC(C)(CO)CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000174426304 1044271703 /nfs/dbraw/zinc/27/17/03/1044271703.db2.gz VGMKUZGDCIIZMO-UHFFFAOYSA-N 1 0 348.468 4.212 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H](C)[C@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000246373210 1044298992 /nfs/dbraw/zinc/29/89/92/1044298992.db2.gz JLDFJXQDWVNYGZ-JJRVBVJISA-N 1 0 326.396 4.119 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000466349066 1044304890 /nfs/dbraw/zinc/30/48/90/1044304890.db2.gz YVRUFQINQJEFMS-XOYOTBSWSA-N 1 0 332.444 4.149 20 5 EIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000246483850 1044317814 /nfs/dbraw/zinc/31/78/14/1044317814.db2.gz AHOHHBNAHXWVSK-MGPQQGTHSA-N 1 0 344.415 4.074 20 5 EIBDRO CC[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000470443673 1044556314 /nfs/dbraw/zinc/55/63/14/1044556314.db2.gz KVFZXNKMHGMXHR-RYQLBKOJSA-N 1 0 334.460 4.477 20 5 EIBDRO C[C@@H]([C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 ZINC000543460911 1044651678 /nfs/dbraw/zinc/65/16/78/1044651678.db2.gz UGUVDYGIUHUHRR-KBPBESRZSA-N 1 0 348.443 4.156 20 5 EIBDRO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000123686112 1044753234 /nfs/dbraw/zinc/75/32/34/1044753234.db2.gz JVIVJBOLFCVJEE-INIZCTEOSA-N 1 0 344.415 4.045 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000487861998 1044793163 /nfs/dbraw/zinc/79/31/63/1044793163.db2.gz SCWSYQXPIXIZPU-LBPRGKRZSA-N 1 0 336.338 4.389 20 5 EIBDRO CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000154461711 1044799375 /nfs/dbraw/zinc/79/93/75/1044799375.db2.gz SDZPJFYPURHESN-PXAZEXFGSA-N 1 0 334.441 4.135 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2(c3ccccc3)CCOCC2)c1 ZINC000735493408 1044831895 /nfs/dbraw/zinc/83/18/95/1044831895.db2.gz PKHMJPXQHJGKDX-UHFFFAOYSA-N 1 0 346.814 4.044 20 5 EIBDRO C[C@@H](CCOCc1ccccc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000389933662 1044846234 /nfs/dbraw/zinc/84/62/34/1044846234.db2.gz GQTGDRJWBBQOFE-HOTGVXAUSA-N 1 0 328.412 4.241 20 5 EIBDRO C[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)COCc1ccccc1 ZINC000389938919 1044846700 /nfs/dbraw/zinc/84/67/00/1044846700.db2.gz OYBASLFJLSOMEB-HZPDHXFCSA-N 1 0 328.412 4.098 20 5 EIBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)COCc1ccccc1 ZINC000389953057 1044846896 /nfs/dbraw/zinc/84/68/96/1044846896.db2.gz XZUVHUCCSMHLAQ-CVEARBPZSA-N 1 0 328.412 4.098 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]CCCc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000156167490 1045013737 /nfs/dbraw/zinc/01/37/37/1045013737.db2.gz IHMWJGMFIOXXSF-AWEZNQCLSA-N 1 0 338.411 4.063 20 5 EIBDRO CC[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000156207511 1045022105 /nfs/dbraw/zinc/02/21/05/1045022105.db2.gz OOFZMCZPRDUEBK-INIZCTEOSA-N 1 0 338.411 4.145 20 5 EIBDRO Cc1cc(NCc2cn3c(cccc3C)n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302209294 1045167274 /nfs/dbraw/zinc/16/72/74/1045167274.db2.gz XYSFZDKXNFOHML-UHFFFAOYSA-N 1 0 347.378 4.020 20 5 EIBDRO Cc1cc(N2CC[C@H](Nc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302209798 1045167767 /nfs/dbraw/zinc/16/77/67/1045167767.db2.gz YEZBYAKWDCUNII-INIZCTEOSA-N 1 0 348.406 4.142 20 5 EIBDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000740007089 1045174371 /nfs/dbraw/zinc/17/43/71/1045174371.db2.gz RKYATKASPABCCU-VLIAUNLRSA-N 1 0 325.477 4.195 20 5 EIBDRO COC[C@@H](CCO)[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC000740010576 1045177620 /nfs/dbraw/zinc/17/76/20/1045177620.db2.gz FKGOSFMZXVNYPV-CQSZACIVSA-N 1 0 343.854 4.133 20 5 EIBDRO O=C(C[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21)NC1CC1 ZINC000915226841 1045196870 /nfs/dbraw/zinc/19/68/70/1045196870.db2.gz SDPHJYSVLKEBKF-UHFFFAOYSA-N 1 0 338.838 4.015 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1OC ZINC000915228704 1045198233 /nfs/dbraw/zinc/19/82/33/1045198233.db2.gz UVAFKURRKNSYNA-HNNXBMFYSA-N 1 0 334.803 4.498 20 5 EIBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000302834325 1045203445 /nfs/dbraw/zinc/20/34/45/1045203445.db2.gz TVRAGHBEIXIOIK-CQSZACIVSA-N 1 0 337.851 4.011 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000162284519 1045243647 /nfs/dbraw/zinc/24/36/47/1045243647.db2.gz UAKIGRFNFPFYMJ-QWHCGFSZSA-N 1 0 332.375 4.463 20 5 EIBDRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000611293168 1045275923 /nfs/dbraw/zinc/27/59/23/1045275923.db2.gz VEZNWKXRPOWOLI-AWEZNQCLSA-N 1 0 337.379 4.409 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000611335980 1045281290 /nfs/dbraw/zinc/28/12/90/1045281290.db2.gz XTUGWLMCGQYQCL-HNNXBMFYSA-N 1 0 327.428 4.280 20 5 EIBDRO COc1ccc(C)cc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000611335517 1045281987 /nfs/dbraw/zinc/28/19/87/1045281987.db2.gz GZIUJCSUPNUFIR-GOSISDBHSA-N 1 0 340.423 4.023 20 5 EIBDRO CC[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000611433621 1045308163 /nfs/dbraw/zinc/30/81/63/1045308163.db2.gz DRUSLVAVTJNCMW-MRXNPFEDSA-N 1 0 344.415 4.093 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000611517048 1045320850 /nfs/dbraw/zinc/32/08/50/1045320850.db2.gz KYRSCGUKCBMUPN-GVDBMIGSSA-N 1 0 332.444 4.103 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2Cc3ccccc32)o1 ZINC000609222600 1045416382 /nfs/dbraw/zinc/41/63/82/1045416382.db2.gz SVUZIOGDUHEHKQ-OAHLLOKOSA-N 1 0 334.375 4.284 20 5 EIBDRO Cc1c(CNC2CC[NH+](CC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000790694009 1045559241 /nfs/dbraw/zinc/55/92/41/1045559241.db2.gz GFLKQJWMYFQDNM-UHFFFAOYSA-N 1 0 345.487 4.038 20 5 EIBDRO Cc1c(C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)cccc1[N+](=O)[O-] ZINC000790696495 1045559392 /nfs/dbraw/zinc/55/93/92/1045559392.db2.gz SVCDHOYWPCPGPX-MRXNPFEDSA-N 1 0 344.386 4.434 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000609234833 1045725773 /nfs/dbraw/zinc/72/57/73/1045725773.db2.gz RDAUOARGMIVXME-RISCZKNCSA-N 1 0 332.404 4.120 20 5 EIBDRO C[NH+](C)[C@H](CNc1cc(Cl)ccc1[N+](=O)[O-])c1cccs1 ZINC000791409501 1045737899 /nfs/dbraw/zinc/73/78/99/1045737899.db2.gz NFHLWIUPAKXOCP-CYBMUJFWSA-N 1 0 325.821 4.025 20 5 EIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC2(CCCCCC2)O1 ZINC001170194375 1045933927 /nfs/dbraw/zinc/93/39/27/1045933927.db2.gz MKWPFHMWNPTNON-GOSISDBHSA-N 1 0 346.471 4.341 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2cccc(C)c2)c([N+](=O)[O-])c1 ZINC001170296667 1045981642 /nfs/dbraw/zinc/98/16/42/1045981642.db2.gz HLJLNEPQSQPQFH-HUUCEWRRSA-N 1 0 328.412 4.194 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](c2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC001170298954 1045983126 /nfs/dbraw/zinc/98/31/26/1045983126.db2.gz OPLLNJNYLOQQOY-JLTOFOAXSA-N 1 0 340.423 4.275 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]Cc2csc(Cl)c2)c([N+](=O)[O-])c1 ZINC001170312985 1045993991 /nfs/dbraw/zinc/99/39/91/1045993991.db2.gz HOOQMCYBMRFSLC-JTQLQIEISA-N 1 0 340.832 4.039 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]C(C)(C)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170317250 1045995287 /nfs/dbraw/zinc/99/52/87/1045995287.db2.gz DFNROUSYMUOTGE-CYBMUJFWSA-N 1 0 346.402 4.198 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]Cc2sccc2Cl)c([N+](=O)[O-])c1 ZINC001170318314 1045995815 /nfs/dbraw/zinc/99/58/15/1045995815.db2.gz OTIBEHDXSJEYAQ-JTQLQIEISA-N 1 0 340.832 4.039 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(F)c(C)c2)c([N+](=O)[O-])c1 ZINC001170314358 1045997248 /nfs/dbraw/zinc/99/72/48/1045997248.db2.gz UYOBIRMPLIPEPW-UONOGXRCSA-N 1 0 346.402 4.333 20 5 EIBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170327159 1045999854 /nfs/dbraw/zinc/99/98/54/1045999854.db2.gz FFELGILYTVCCJR-QAPCUYQASA-N 1 0 340.423 4.024 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(F)c2)c([N+](=O)[O-])c1 ZINC001170326801 1046000366 /nfs/dbraw/zinc/00/03/66/1046000366.db2.gz NNIGQPZFKDDSKB-KGLIPLIRSA-N 1 0 346.402 4.333 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]C2(C)CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC001170325998 1046000403 /nfs/dbraw/zinc/00/04/03/1046000403.db2.gz ZWPNBGNWDHCAMQ-GFCCVEGCSA-N 1 0 342.386 4.092 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2cccnc2F)s1 ZINC000793285368 1046195125 /nfs/dbraw/zinc/19/51/25/1046195125.db2.gz VQFDXJGWKCKUKI-UHFFFAOYSA-N 1 0 343.383 4.147 20 5 EIBDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000130313683 1046277635 /nfs/dbraw/zinc/27/76/35/1046277635.db2.gz ITOREVAAXJIANJ-NEWSRXKRSA-N 1 0 339.439 4.442 20 5 EIBDRO Cc1c(C[N@@H+]2CCCCC[C@H]2c2ccncc2)cccc1[N+](=O)[O-] ZINC000917054507 1046581628 /nfs/dbraw/zinc/58/16/28/1046581628.db2.gz OKTMOSWJOGUFKR-IBGZPJMESA-N 1 0 325.412 4.416 20 5 EIBDRO CC(=O)c1cc(NC2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000804538292 1046591659 /nfs/dbraw/zinc/59/16/59/1046591659.db2.gz NQOCFBFTVQGDIS-UHFFFAOYSA-N 1 0 345.443 4.006 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)CC3CC3)o2)c([N+](=O)[O-])c1 ZINC000497323829 1046598301 /nfs/dbraw/zinc/59/83/01/1046598301.db2.gz XSAGRNJPSIUGIL-LBPRGKRZSA-N 1 0 330.384 4.142 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3C[C@@H]4CCCC[C@H]4C3)cs2)c1 ZINC000536667822 1046616726 /nfs/dbraw/zinc/61/67/26/1046616726.db2.gz DZNQKYCRWCSVLP-GJZGRUSLSA-N 1 0 343.452 4.340 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000536708558 1046718747 /nfs/dbraw/zinc/71/87/47/1046718747.db2.gz YWZJUZNBIIMAEV-HNNXBMFYSA-N 1 0 325.412 4.006 20 5 EIBDRO CCN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000917106164 1046720848 /nfs/dbraw/zinc/72/08/48/1046720848.db2.gz SBQJICYHBRSPTN-CYBMUJFWSA-N 1 0 332.375 4.326 20 5 EIBDRO Cc1ccc(N2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000917212448 1046816082 /nfs/dbraw/zinc/81/60/82/1046816082.db2.gz SREUAKDWNRTQPJ-QGZVFWFLSA-N 1 0 339.439 4.177 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000536843161 1046816528 /nfs/dbraw/zinc/81/65/28/1046816528.db2.gz CVETXHZGYVNJBG-ZBFHGGJFSA-N 1 0 343.402 4.054 20 5 EIBDRO CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000536861267 1046828587 /nfs/dbraw/zinc/82/85/87/1046828587.db2.gz CMTNGAVVUWMIFV-UGSOOPFHSA-N 1 0 326.396 4.332 20 5 EIBDRO CCc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000536861241 1046828743 /nfs/dbraw/zinc/82/87/43/1046828743.db2.gz CMTNGAVVUWMIFV-ACJLOTCBSA-N 1 0 326.396 4.332 20 5 EIBDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000459641615 1046829937 /nfs/dbraw/zinc/82/99/37/1046829937.db2.gz RLVLIKBZTXNHAU-ZDUSSCGKSA-N 1 0 333.819 4.144 20 5 EIBDRO COc1cccc(OCCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000536870565 1046834192 /nfs/dbraw/zinc/83/41/92/1046834192.db2.gz NUSSNXMGOHNTJH-OAHLLOKOSA-N 1 0 344.411 4.032 20 5 EIBDRO CCCCn1cc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c(C)n1 ZINC000536894815 1046852881 /nfs/dbraw/zinc/85/28/81/1046852881.db2.gz XMHFWCSEGIXFNU-UHFFFAOYSA-N 1 0 344.459 4.313 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000536912139 1046863498 /nfs/dbraw/zinc/86/34/98/1046863498.db2.gz YBWJZYIYTOJCIA-WZFJYNIESA-N 1 0 326.396 4.199 20 5 EIBDRO C[C@H]([NH2+]C1(C2CCC2)CCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459782030 1046882411 /nfs/dbraw/zinc/88/24/11/1046882411.db2.gz XBQOZCQLEVHFQV-LBPRGKRZSA-N 1 0 342.399 4.018 20 5 EIBDRO CC[C@@H](C)[N@@H+](Cc1ccccc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000917455134 1046895016 /nfs/dbraw/zinc/89/50/16/1046895016.db2.gz RFJXJOIJSAMFRL-OAHLLOKOSA-N 1 0 338.411 4.203 20 5 EIBDRO CC[C@@H](C)[N@@H+](Cc1ccccc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000917454460 1046895395 /nfs/dbraw/zinc/89/53/95/1046895395.db2.gz IBRSGZQYSDCDMZ-OAHLLOKOSA-N 1 0 338.411 4.203 20 5 EIBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746672706 1046986254 /nfs/dbraw/zinc/98/62/54/1046986254.db2.gz HFDJHDXENSISPR-ZIAGYGMSSA-N 1 0 328.865 4.354 20 5 EIBDRO CCOc1ccccc1OCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537179374 1047009845 /nfs/dbraw/zinc/00/98/45/1047009845.db2.gz HGAUSXSRIKJKOG-HNNXBMFYSA-N 1 0 344.411 4.032 20 5 EIBDRO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000537288179 1047095869 /nfs/dbraw/zinc/09/58/69/1047095869.db2.gz MAUILSQKOZPLKL-DJJJIMSYSA-N 1 0 326.396 4.405 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788649271 1047247068 /nfs/dbraw/zinc/24/70/68/1047247068.db2.gz RIOVPKYIICESMW-QFYYESIMSA-N 1 0 331.803 4.169 20 5 EIBDRO C[C@H]([NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788800289 1047306542 /nfs/dbraw/zinc/30/65/42/1047306542.db2.gz HJQLFHIWOJQUMG-NUTKFTJISA-N 1 0 343.402 4.303 20 5 EIBDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC001170096237 1047357812 /nfs/dbraw/zinc/35/78/12/1047357812.db2.gz VEQYOMLZYVTTKN-QWRGUYRKSA-N 1 0 341.249 4.272 20 5 EIBDRO CC(C)c1ccc(C[NH2+]C[C@H](O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000918197677 1047368148 /nfs/dbraw/zinc/36/81/48/1047368148.db2.gz LGINXVXJDWKDJT-SFHVURJKSA-N 1 0 348.830 4.195 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](c2ccncc2)C2CC2)o1 ZINC000898324259 1047617640 /nfs/dbraw/zinc/61/76/40/1047617640.db2.gz FUYHEKSDOZGFJI-FQEVSTJZSA-N 1 0 349.390 4.491 20 5 EIBDRO COc1ccc(C[NH2+]C2CCC(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000609287681 1047693305 /nfs/dbraw/zinc/69/33/05/1047693305.db2.gz NIHUFTLQGUYEIN-UHFFFAOYSA-N 1 0 340.423 4.419 20 5 EIBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c2ccccc2O1 ZINC000824649627 1047894313 /nfs/dbraw/zinc/89/43/13/1047894313.db2.gz DMJBVZXGYHWFMP-IAQYHMDHSA-N 1 0 332.787 4.250 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCCC1(F)F ZINC000824799743 1047948607 /nfs/dbraw/zinc/94/86/07/1047948607.db2.gz QPHIZKQMMXEHGT-VIFPVBQESA-N 1 0 339.169 4.427 20 5 EIBDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000556878468 1048085933 /nfs/dbraw/zinc/08/59/33/1048085933.db2.gz YZCMZRVYELNCOR-QGZVFWFLSA-N 1 0 334.460 4.499 20 5 EIBDRO C[C@H](CCc1ccc(F)cc1F)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000556883543 1048098136 /nfs/dbraw/zinc/09/81/36/1048098136.db2.gz CRQGGPZQFXCHCQ-CYBMUJFWSA-N 1 0 334.366 4.026 20 5 EIBDRO Cc1c(C[N@@H+](Cc2cccc(O)c2)CC2CC2)cccc1[N+](=O)[O-] ZINC000499063840 1048140003 /nfs/dbraw/zinc/14/00/03/1048140003.db2.gz NONQXCVJSZPYBP-UHFFFAOYSA-N 1 0 326.396 4.021 20 5 EIBDRO CC[NH+](CC)Cc1ccccc1CNc1cccc(F)c1[N+](=O)[O-] ZINC000919962066 1048346083 /nfs/dbraw/zinc/34/60/83/1048346083.db2.gz GHFMLSHSXWSMEG-UHFFFAOYSA-N 1 0 331.391 4.188 20 5 EIBDRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815561445 1048510201 /nfs/dbraw/zinc/51/02/01/1048510201.db2.gz HOANAUDXXDSEDY-WBMJQRKESA-N 1 0 343.427 4.443 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2)o1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815561816 1048510612 /nfs/dbraw/zinc/51/06/12/1048510612.db2.gz QNRBDOLALOVZKU-ZDUSSCGKSA-N 1 0 337.379 4.288 20 5 EIBDRO Cc1ccccc1[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000815579425 1048519082 /nfs/dbraw/zinc/51/90/82/1048519082.db2.gz MSANFKYFUKOAIM-YJYMSZOUSA-N 1 0 325.412 4.287 20 5 EIBDRO C[C@H]([NH2+]C[C@@H](c1ccccc1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815630656 1048553806 /nfs/dbraw/zinc/55/38/06/1048553806.db2.gz RBLQATMVYOYWME-GUYCJALGSA-N 1 0 325.412 4.021 20 5 EIBDRO CCOC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)C ZINC000810015783 1048601572 /nfs/dbraw/zinc/60/15/72/1048601572.db2.gz QGDOSABWMNGCTB-CYBMUJFWSA-N 1 0 335.231 4.052 20 5 EIBDRO CC(C)(C(=O)OCc1nc2ccccc2c2ccccc12)[NH+]1CCCC1 ZINC000805613074 1048748132 /nfs/dbraw/zinc/74/81/32/1048748132.db2.gz IVXIPHWXQHTLER-UHFFFAOYSA-N 1 0 348.446 4.306 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@]4(CC4(F)F)C3)o2)cc1 ZINC000846106474 1048822020 /nfs/dbraw/zinc/82/20/20/1048822020.db2.gz BQPCWQFQDBVLSS-KRWDZBQOSA-N 1 0 348.349 4.476 20 5 EIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1ncc([N+](=O)[O-])s1 ZINC000195509033 1048886647 /nfs/dbraw/zinc/88/66/47/1048886647.db2.gz BDDWWICCEJHQEW-ZDUSSCGKSA-N 1 0 346.456 4.038 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]CCSC(C)(C)C)cc1[N+](=O)[O-] ZINC000772950237 1048887903 /nfs/dbraw/zinc/88/79/03/1048887903.db2.gz HDAOFLDMQWZNER-GFCCVEGCSA-N 1 0 326.462 4.176 20 5 EIBDRO CC(C)[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccsc1 ZINC000817287210 1048927875 /nfs/dbraw/zinc/92/78/75/1048927875.db2.gz LFQJWKXIADKCJD-SUMWQHHRSA-N 1 0 334.441 4.161 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)cc1Cl ZINC000811513236 1049125864 /nfs/dbraw/zinc/12/58/64/1049125864.db2.gz FDDSXNSHLFZPNY-QAPCUYQASA-N 1 0 346.814 4.258 20 5 EIBDRO COc1ccc(C[N@@H+]2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC001170638492 1049177833 /nfs/dbraw/zinc/17/78/33/1049177833.db2.gz JGHMKQBZRJTALB-IIDMSEBBSA-N 1 0 340.423 4.370 20 5 EIBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000610002010 1049469171 /nfs/dbraw/zinc/46/91/71/1049469171.db2.gz TUTPRUXSCGAYIM-XJKSGUPXSA-N 1 0 344.415 4.045 20 5 EIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3C[C@@H]3C3CCCCC3)CC2)cc1 ZINC000773025852 1049537114 /nfs/dbraw/zinc/53/71/14/1049537114.db2.gz LXENGVOQGMQVBG-UXHICEINSA-N 1 0 343.471 4.122 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)CCO2 ZINC000773037897 1049544431 /nfs/dbraw/zinc/54/44/31/1049544431.db2.gz VYMKTPLXAFLGMN-QGZVFWFLSA-N 1 0 346.814 4.424 20 5 EIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812849776 1049611782 /nfs/dbraw/zinc/61/17/82/1049611782.db2.gz JEEYNBKZLMOOTF-UGSOOPFHSA-N 1 0 348.830 4.192 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001171538548 1049733413 /nfs/dbraw/zinc/73/34/13/1049733413.db2.gz MOWJOZBKUMIJGY-QAPCUYQASA-N 1 0 326.396 4.118 20 5 EIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000237822311 1049773639 /nfs/dbraw/zinc/77/36/39/1049773639.db2.gz OSJYWYVLIATDPR-BBRMVZONSA-N 1 0 348.349 4.090 20 5 EIBDRO Cc1ccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1F ZINC001172897596 1050201031 /nfs/dbraw/zinc/20/10/31/1050201031.db2.gz AUGLOHYHXCOPSK-QGZVFWFLSA-N 1 0 328.387 4.080 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCc1cccc(Cl)c1)CC2 ZINC001172897839 1050203811 /nfs/dbraw/zinc/20/38/11/1050203811.db2.gz CEKZAQUUTCCLDJ-SFHVURJKSA-N 1 0 344.842 4.328 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CC3(C1)CC(F)(F)C3)CC2 ZINC001172902977 1050204891 /nfs/dbraw/zinc/20/48/91/1050204891.db2.gz NXYKXFGAGSCDPE-AWEZNQCLSA-N 1 0 336.382 4.010 20 5 EIBDRO CCC[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccncc1 ZINC001172904316 1050205624 /nfs/dbraw/zinc/20/56/24/1050205624.db2.gz WYBGUAWQLWGPSJ-UYAOXDASSA-N 1 0 339.439 4.368 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1(c3ccc(F)cc3)CC1)CC2 ZINC001172903934 1050205692 /nfs/dbraw/zinc/20/56/92/1050205692.db2.gz UDLOBHJXOBTYJI-GOSISDBHSA-N 1 0 340.398 4.260 20 5 EIBDRO [NH3+]Cc1cccc2ccn([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)c21 ZINC001172903625 1050205781 /nfs/dbraw/zinc/20/57/81/1050205781.db2.gz RWVWRIWQHOFCQJ-GOSISDBHSA-N 1 0 335.407 4.128 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC3(CC(F)C3)CC1)CC2 ZINC001172904539 1050206701 /nfs/dbraw/zinc/20/67/01/1050206701.db2.gz OEPRLIORWVNJFQ-KRWDZBQOSA-N 1 0 332.419 4.056 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC(C(F)(F)F)CC1)CC2 ZINC001172904927 1050207352 /nfs/dbraw/zinc/20/73/52/1050207352.db2.gz PRGWMQGJFIHRSL-OAHLLOKOSA-N 1 0 342.361 4.117 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCc3sccc31)CC2 ZINC001172908657 1050207872 /nfs/dbraw/zinc/20/78/72/1050207872.db2.gz YGYQTLWTJKBJNH-RHSMWYFYSA-N 1 0 328.437 4.181 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCc3c(F)cccc3C1)CC2 ZINC001172920566 1050234626 /nfs/dbraw/zinc/23/46/26/1050234626.db2.gz KRNYUVKONAQCEJ-KRWDZBQOSA-N 1 0 340.398 4.040 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccc3ccncc31)CC2 ZINC001172913043 1050247933 /nfs/dbraw/zinc/24/79/33/1050247933.db2.gz SSPDSXIQKIWWMZ-IBGZPJMESA-N 1 0 347.418 4.180 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)cc1[N+](=O)[O-] ZINC000618197841 1050305898 /nfs/dbraw/zinc/30/58/98/1050305898.db2.gz HNLGNAWTPVZZKD-KRWDZBQOSA-N 1 0 340.423 4.071 20 5 EIBDRO CCC1(C[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])CCC1 ZINC001177963159 1050331222 /nfs/dbraw/zinc/33/12/22/1050331222.db2.gz XZUTTXFDTJRHDW-UHFFFAOYSA-N 1 0 327.222 4.027 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)c2cccs2)c1F ZINC001173177122 1050335159 /nfs/dbraw/zinc/33/51/59/1050335159.db2.gz OWQPTBODGKOICT-QWRGUYRKSA-N 1 0 338.404 4.086 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])c1ccccc1 ZINC001173177354 1050335732 /nfs/dbraw/zinc/33/57/32/1050335732.db2.gz SZMHCJKZMZRQGN-XJKSGUPXSA-N 1 0 346.402 4.414 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2CCCCCC2)c1F ZINC001173191273 1050336801 /nfs/dbraw/zinc/33/68/01/1050336801.db2.gz LAFWOUFXRFKVBP-CYBMUJFWSA-N 1 0 338.423 4.234 20 5 EIBDRO CC[N@H+]([C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C1CCCCC1 ZINC001173184870 1050337427 /nfs/dbraw/zinc/33/74/27/1050337427.db2.gz PDNZPQVADIISGR-ZDUSSCGKSA-N 1 0 338.423 4.328 20 5 EIBDRO CCC1CCC([NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173179167 1050337549 /nfs/dbraw/zinc/33/75/49/1050337549.db2.gz NTKLCYPESFQTFF-HSBZDZAISA-N 1 0 338.423 4.232 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2C3CCCC2CCC3)c1F ZINC001173191388 1050337975 /nfs/dbraw/zinc/33/79/75/1050337975.db2.gz DHSOHUFUWWRRIG-HSBZDZAISA-N 1 0 336.407 4.081 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C)C2CCCCC2)c1F ZINC001173189364 1050338336 /nfs/dbraw/zinc/33/83/36/1050338336.db2.gz OQGAQDDWZYYJGT-CHWSQXEVSA-N 1 0 338.423 4.232 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC001173218241 1050349659 /nfs/dbraw/zinc/34/96/59/1050349659.db2.gz JNSAOXNUQOZFHE-GRTSSRMGSA-N 1 0 344.377 4.484 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCOc1cccc(Cl)c1 ZINC001173215621 1050349752 /nfs/dbraw/zinc/34/97/52/1050349752.db2.gz XKWZMEGUMSYCLC-CQSZACIVSA-N 1 0 348.830 4.238 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2ccc(Cl)cc2C1 ZINC001173218026 1050350055 /nfs/dbraw/zinc/35/00/55/1050350055.db2.gz IQDOJVOAYTZRIN-UGSOOPFHSA-N 1 0 344.842 4.326 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=[NH2+])C12CC3CC(CC(C3)C1)C2 ZINC001173215400 1050350801 /nfs/dbraw/zinc/35/08/01/1050350801.db2.gz WDDIUASRNZITMM-UGFPPAMCSA-N 1 0 341.455 4.309 20 5 EIBDRO COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219570 1050353332 /nfs/dbraw/zinc/35/33/32/1050353332.db2.gz OAVLVJVKDYMSSX-STQMWFEESA-N 1 0 332.375 4.024 20 5 EIBDRO COc1cccc(C(C)(C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173221418 1050354581 /nfs/dbraw/zinc/35/45/81/1050354581.db2.gz NBIWHIPMRSSMKQ-CQSZACIVSA-N 1 0 328.412 4.059 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001173224260 1050354738 /nfs/dbraw/zinc/35/47/38/1050354738.db2.gz DEYSGIJFEMRGAI-OCBCSQNSSA-N 1 0 330.815 4.325 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1cccc(F)c1)C1CC1 ZINC001173223635 1050355024 /nfs/dbraw/zinc/35/50/24/1050355024.db2.gz JMHUGYXFYUMJMC-YJYMSZOUSA-N 1 0 328.387 4.406 20 5 EIBDRO COc1ccccc1C1([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001173221480 1050355813 /nfs/dbraw/zinc/35/58/13/1050355813.db2.gz NLPUMTHSIZXYQN-OAHLLOKOSA-N 1 0 340.423 4.203 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC001173232651 1050358885 /nfs/dbraw/zinc/35/88/85/1050358885.db2.gz FIGRRWIZDZRQAB-ZDUSSCGKSA-N 1 0 330.815 4.458 20 5 EIBDRO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231081 1050359090 /nfs/dbraw/zinc/35/90/90/1050359090.db2.gz XEBKCNQFAGZDBL-GJZGRUSLSA-N 1 0 328.412 4.275 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H]1c1cccc(Cl)c1 ZINC001173231627 1050359923 /nfs/dbraw/zinc/35/99/23/1050359923.db2.gz BKFYAQBUKUVQCR-UUWFMWQGSA-N 1 0 330.815 4.325 20 5 EIBDRO COc1ccc([C@@H]2CC[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001173230754 1050360552 /nfs/dbraw/zinc/36/05/52/1050360552.db2.gz FLLMWHYCTNXUBO-CRAIPNDOSA-N 1 0 340.423 4.024 20 5 EIBDRO COc1ccc(C(C)(C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173234132 1050363484 /nfs/dbraw/zinc/36/34/84/1050363484.db2.gz NLZSNUZLCNCXNX-CQSZACIVSA-N 1 0 328.412 4.059 20 5 EIBDRO COc1ccc(C)cc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618571393 1050418588 /nfs/dbraw/zinc/41/85/88/1050418588.db2.gz ISEHPINKFOFNOW-GOSISDBHSA-N 1 0 326.396 4.079 20 5 EIBDRO CCc1ccc2c(c1)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)CCO2 ZINC001178444462 1050459813 /nfs/dbraw/zinc/45/98/13/1050459813.db2.gz KQYORSDYXMXEJM-QGZVFWFLSA-N 1 0 326.396 4.079 20 5 EIBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001187034336 1050474373 /nfs/dbraw/zinc/47/43/73/1050474373.db2.gz IXXFXJIDOWOAPP-NSHDSACASA-N 1 0 346.258 4.434 20 5 EIBDRO O=[N+]([O-])c1ccc(NCCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001187191056 1050498916 /nfs/dbraw/zinc/49/89/16/1050498916.db2.gz YDYLLNQYVWOJES-UHFFFAOYSA-N 1 0 339.439 4.309 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]C2(c3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000182213748 1050547192 /nfs/dbraw/zinc/54/71/92/1050547192.db2.gz CANOHAKHLUNCAZ-ZDUSSCGKSA-N 1 0 344.386 4.473 20 5 EIBDRO CC(C)c1ccc(C[NH2+]CC(C)(C)C2(O)CCCC2)cc1[N+](=O)[O-] ZINC001178958861 1050597629 /nfs/dbraw/zinc/59/76/29/1050597629.db2.gz RSBIMAJSHJQBFK-UHFFFAOYSA-N 1 0 334.460 4.139 20 5 EIBDRO CC1(C)C[C@@H](Nc2cnn(-c3cc[nH+]cc3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000618988717 1050621706 /nfs/dbraw/zinc/62/17/06/1050621706.db2.gz WJCSRINHTVTNGP-GOSISDBHSA-N 1 0 349.394 4.010 20 5 EIBDRO COC1(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCCCC1 ZINC001179913687 1050831684 /nfs/dbraw/zinc/83/16/84/1050831684.db2.gz DLGIKKYCTBRFRJ-UHFFFAOYSA-N 1 0 332.444 4.299 20 5 EIBDRO CCC(CC)[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000775212303 1050880689 /nfs/dbraw/zinc/88/06/89/1050880689.db2.gz NWIQTFOMFDIQGW-WMZOPIPTSA-N 1 0 348.468 4.457 20 5 EIBDRO COc1cc(F)cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC001180177743 1050894989 /nfs/dbraw/zinc/89/49/89/1050894989.db2.gz FOSVXPSJRISBPE-UHFFFAOYSA-N 1 0 332.375 4.153 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC001180317926 1050949500 /nfs/dbraw/zinc/94/95/00/1050949500.db2.gz RPUUXWLVLDLHBH-HNNXBMFYSA-N 1 0 342.439 4.449 20 5 EIBDRO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1Nc1cncnc1 ZINC001174387677 1050950627 /nfs/dbraw/zinc/95/06/27/1050950627.db2.gz MLEDYFWATSWEME-UHFFFAOYSA-N 1 0 329.407 4.296 20 5 EIBDRO CSCc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001180663899 1051058474 /nfs/dbraw/zinc/05/84/74/1051058474.db2.gz ALXLZHVRQFFGFC-UHFFFAOYSA-N 1 0 330.453 4.483 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCc2cc(Cl)ccc2C1 ZINC001180838089 1051083974 /nfs/dbraw/zinc/08/39/74/1051083974.db2.gz SYKWUQSANKXRMR-UHFFFAOYSA-N 1 0 330.815 4.423 20 5 EIBDRO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC001181524511 1051244380 /nfs/dbraw/zinc/24/43/80/1051244380.db2.gz BOJVDGYSRZHDJC-GOSISDBHSA-N 1 0 342.443 4.360 20 5 EIBDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000775407945 1051262722 /nfs/dbraw/zinc/26/27/22/1051262722.db2.gz RHCACWKFCFDBHI-UXHICEINSA-N 1 0 342.439 4.314 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC001191047483 1051347379 /nfs/dbraw/zinc/34/73/79/1051347379.db2.gz FWTFWSLSCFBJCQ-OAHLLOKOSA-N 1 0 346.814 4.117 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC001191156999 1051366985 /nfs/dbraw/zinc/36/69/85/1051366985.db2.gz PQSFKFDYWGRJAV-JKSUJKDBSA-N 1 0 340.423 4.290 20 5 EIBDRO CC(C)[C@H]1[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(C)C ZINC001182101118 1051397643 /nfs/dbraw/zinc/39/76/43/1051397643.db2.gz YUPZMGSUAFBGKJ-CQSZACIVSA-N 1 0 330.350 4.480 20 5 EIBDRO CCCN(CC[NH+]1CCCCCC1)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001182136739 1051402184 /nfs/dbraw/zinc/40/21/84/1051402184.db2.gz BNOUHSHDTLSTJX-UHFFFAOYSA-N 1 0 347.503 4.300 20 5 EIBDRO COc1ccc(C[N@@H+]2CCc3ccccc3[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC001191542209 1051479123 /nfs/dbraw/zinc/47/91/23/1051479123.db2.gz YWFUKOMDXHUAOT-HXUWFJFHSA-N 1 0 340.423 4.359 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccccc1)C(C)(C)C ZINC001192052739 1051624971 /nfs/dbraw/zinc/62/49/71/1051624971.db2.gz IVWAJVZEXBOJGL-UHFFFAOYSA-N 1 0 328.412 4.404 20 5 EIBDRO Cc1cccc(C2=CC[N@H+](CCOc3ccccc3[N+](=O)[O-])CC2)c1 ZINC001192557533 1051759128 /nfs/dbraw/zinc/75/91/28/1051759128.db2.gz SXYBGIZBSHOBHI-UHFFFAOYSA-N 1 0 338.407 4.071 20 5 EIBDRO CC[C@@H]([NH2+]C[C@@](O)(c1ccccc1)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC001192814512 1051814774 /nfs/dbraw/zinc/81/47/74/1051814774.db2.gz ODEFWTAQVPSFDJ-UXHICEINSA-N 1 0 342.439 4.179 20 5 EIBDRO C[C@@H]([NH2+]CCC1(C(=O)OC(C)(C)C)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001176028134 1051879275 /nfs/dbraw/zinc/87/92/75/1051879275.db2.gz ISFBAUXCDGOZBJ-CQSZACIVSA-N 1 0 348.443 4.148 20 5 EIBDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001193403464 1051917330 /nfs/dbraw/zinc/91/73/30/1051917330.db2.gz XFNVLRNNWVOWMX-MFKMUULPSA-N 1 0 327.222 4.026 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC001193499152 1051935386 /nfs/dbraw/zinc/93/53/86/1051935386.db2.gz YNDMDGZDHXLUPD-QAPCUYQASA-N 1 0 347.459 4.036 20 5 EIBDRO COc1ccc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cc1O ZINC001176259155 1051985745 /nfs/dbraw/zinc/98/57/45/1051985745.db2.gz DGXYGSGYRHDAPU-UHFFFAOYSA-N 1 0 331.375 4.428 20 5 EIBDRO COc1ccc(Nc2ccc(C[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC001176364292 1052039395 /nfs/dbraw/zinc/03/93/95/1052039395.db2.gz WZDONVVPMCUIFW-UHFFFAOYSA-N 1 0 341.411 4.333 20 5 EIBDRO Cc1c(CN2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC001194356990 1052131522 /nfs/dbraw/zinc/13/15/22/1052131522.db2.gz GCUDAKZVGOLCSV-UHFFFAOYSA-N 1 0 347.503 4.236 20 5 EIBDRO CC[NH+](CC)CCCCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000171980324 1052464544 /nfs/dbraw/zinc/46/45/44/1052464544.db2.gz UPKIBPMDJPBRRT-UHFFFAOYSA-N 1 0 349.478 4.240 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000090918588 1052782724 /nfs/dbraw/zinc/78/27/24/1052782724.db2.gz WUTQBLLHGPGVDG-DYVFJYSZSA-N 1 0 342.395 4.168 20 5 EIBDRO Cc1cncc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000122890233 1052788145 /nfs/dbraw/zinc/78/81/45/1052788145.db2.gz QPVCVHMTGGKWKK-UHFFFAOYSA-N 1 0 339.420 4.317 20 5 EIBDRO CC(C)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000083132204 1052831767 /nfs/dbraw/zinc/83/17/67/1052831767.db2.gz YLBLNNUFCALFHV-GOSISDBHSA-N 1 0 325.368 4.223 20 5 EIBDRO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000764285658 1053052126 /nfs/dbraw/zinc/05/21/26/1053052126.db2.gz YJKOQLKNTFYXJV-KXBFYZLASA-N 1 0 328.412 4.020 20 5 EIBDRO O=[N+]([O-])c1ccc(Br)c(C[NH+](C2CCC2)C2CCC2)c1 ZINC001194765041 1053100956 /nfs/dbraw/zinc/10/09/56/1053100956.db2.gz UOHZPSVQIGZISI-UHFFFAOYSA-N 1 0 339.233 4.264 20 5 EIBDRO CO[C@H](C[NH2+]Cc1c2ccccc2cc2ccccc21)[C@H]1CCOC1 ZINC000850344543 1053125295 /nfs/dbraw/zinc/12/52/95/1053125295.db2.gz MDQJMMJQZKTBNH-PGRDOPGGSA-N 1 0 335.447 4.134 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2COC3(CCC3)C2)s1 ZINC000850367507 1053140694 /nfs/dbraw/zinc/14/06/94/1053140694.db2.gz LPWGHFUZSNUMCQ-ZDUSSCGKSA-N 1 0 344.436 4.125 20 5 EIBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCC(F)CC1 ZINC000850556538 1053312464 /nfs/dbraw/zinc/31/24/64/1053312464.db2.gz RYMMLCKUMLTSDP-FHERZECASA-N 1 0 349.450 4.070 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3cccnc3)C2)c(Cl)c1 ZINC001195546247 1053432311 /nfs/dbraw/zinc/43/23/11/1053432311.db2.gz AGIXXFDRRYFGMC-AWEZNQCLSA-N 1 0 331.803 4.023 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000794834966 1053476088 /nfs/dbraw/zinc/47/60/88/1053476088.db2.gz YHSZKNITEYPVGM-ZOCIIQOWSA-N 1 0 328.412 4.148 20 5 EIBDRO C[C@H](CSc1ccccc1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC001195850773 1053495590 /nfs/dbraw/zinc/49/55/90/1053495590.db2.gz DFNFVDWDYDWHFZ-OAHLLOKOSA-N 1 0 346.452 4.086 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)cc1 ZINC001196003965 1053551999 /nfs/dbraw/zinc/55/19/99/1053551999.db2.gz FLBRPZRGNVWVIJ-GOSISDBHSA-N 1 0 326.396 4.348 20 5 EIBDRO CCCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccc(C)o1 ZINC000776579607 1053563572 /nfs/dbraw/zinc/56/35/72/1053563572.db2.gz NZKHNCYLYJXMTK-QAPCUYQASA-N 1 0 346.427 4.393 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000120684446 1053574841 /nfs/dbraw/zinc/57/48/41/1053574841.db2.gz WRLKAPWYJVFQHG-RFUYNDQBSA-N 1 0 328.412 4.066 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000852594174 1053595043 /nfs/dbraw/zinc/59/50/43/1053595043.db2.gz AGQZIPXNMOTSDV-GUYCJALGSA-N 1 0 338.835 4.029 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000852783116 1053612301 /nfs/dbraw/zinc/61/23/01/1053612301.db2.gz WUDXLXHANDNZPP-ZIAGYGMSSA-N 1 0 326.396 4.332 20 5 EIBDRO CC(C)[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1cccnc1 ZINC000866281712 1053677122 /nfs/dbraw/zinc/67/71/22/1053677122.db2.gz KAQGLYURVDFTKU-KBXCAEBGSA-N 1 0 345.418 4.089 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC001197068838 1053832804 /nfs/dbraw/zinc/83/28/04/1053832804.db2.gz DCUWKFQMLUPJTE-INIZCTEOSA-N 1 0 338.835 4.172 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC001197186016 1053842657 /nfs/dbraw/zinc/84/26/57/1053842657.db2.gz WUWGAOXOWXDWBA-DGCLKSJQSA-N 1 0 334.725 4.235 20 5 EIBDRO Cc1cc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000301402485 1053870512 /nfs/dbraw/zinc/87/05/12/1053870512.db2.gz DBHHFAZWGOOULM-KSSFIOAISA-N 1 0 345.468 4.460 20 5 EIBDRO C[C@H](CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OCc1ccccc1 ZINC001197659783 1053961387 /nfs/dbraw/zinc/96/13/87/1053961387.db2.gz KFBKOQURVMMUKN-CVEARBPZSA-N 1 0 328.412 4.241 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001197718672 1053971359 /nfs/dbraw/zinc/97/13/59/1053971359.db2.gz AFXUYHFZEOSRJC-MAUKXSAKSA-N 1 0 328.799 4.022 20 5 EIBDRO CCOC(=O)C1=C(Nc2ccccc2C[N+](C)(C)CC)CCCC1 ZINC001168561491 1053996361 /nfs/dbraw/zinc/99/63/61/1053996361.db2.gz KXECVLFBHZNQSB-UHFFFAOYSA-O 1 0 331.480 4.086 20 5 EIBDRO C[C@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000090948662 1054176522 /nfs/dbraw/zinc/17/65/22/1054176522.db2.gz GMMKHWPKWUHSHH-LBPRGKRZSA-N 1 0 333.457 4.242 20 5 EIBDRO COc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)cc1[N+](=O)[O-] ZINC000104707158 1054178391 /nfs/dbraw/zinc/17/83/91/1054178391.db2.gz CTEXTTNKXXGNLI-UHFFFAOYSA-N 1 0 346.814 4.426 20 5 EIBDRO CC[C@@H](C[N@H+](CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000775895278 1054280989 /nfs/dbraw/zinc/28/09/89/1054280989.db2.gz KZCBEYIBUICLPJ-JXFKEZNVSA-N 1 0 342.439 4.144 20 5 EIBDRO CC(C)c1nc(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cs1 ZINC000872031677 1054351643 /nfs/dbraw/zinc/35/16/43/1054351643.db2.gz SPHIGFZQRHMFJD-NSHDSACASA-N 1 0 337.420 4.207 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1sc(C)nc1C ZINC000872040320 1054354483 /nfs/dbraw/zinc/35/44/83/1054354483.db2.gz XRPQQUPADWNNOK-SECBINFHSA-N 1 0 337.470 4.241 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)c1c(C)noc1C ZINC000872053615 1054363914 /nfs/dbraw/zinc/36/39/14/1054363914.db2.gz VYFWMIWVLIVIGW-MNOVXSKESA-N 1 0 349.456 4.376 20 5 EIBDRO C[C@H](Nc1ccc(C[NH+](C)C)c(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872060681 1054370395 /nfs/dbraw/zinc/37/03/95/1054370395.db2.gz SLEZLINWGXKKBW-NSHDSACASA-N 1 0 335.354 4.108 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccc3ncccc13)CCC2 ZINC000872124266 1054402307 /nfs/dbraw/zinc/40/23/07/1054402307.db2.gz IHCUGJCGIBGVHT-HXUWFJFHSA-N 1 0 333.391 4.310 20 5 EIBDRO Cc1c(C[NH2+]Cc2ccccc2COC(C)C)cccc1[N+](=O)[O-] ZINC000873008561 1054477299 /nfs/dbraw/zinc/47/72/99/1054477299.db2.gz OAVICKYOUYCOCX-UHFFFAOYSA-N 1 0 328.412 4.118 20 5 EIBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(SC)cc2)cc1[N+](=O)[O-] ZINC000282176151 1054490291 /nfs/dbraw/zinc/49/02/91/1054490291.db2.gz JRUJXHFSBDBGAA-GFCCVEGCSA-N 1 0 332.425 4.176 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCc2ccc(Cl)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858581635 1054529971 /nfs/dbraw/zinc/52/99/71/1054529971.db2.gz HJNWDESREZKSQO-QFYYESIMSA-N 1 0 331.803 4.169 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000126052772 1054937367 /nfs/dbraw/zinc/93/73/67/1054937367.db2.gz LJLNFNJSNRXEJK-QGZVFWFLSA-N 1 0 329.356 4.134 20 5 EIBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878448559 1055314007 /nfs/dbraw/zinc/31/40/07/1055314007.db2.gz SYRITRFURPBWQA-UKRRQHHQSA-N 1 0 344.415 4.093 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000765817379 1055522873 /nfs/dbraw/zinc/52/28/73/1055522873.db2.gz NXQODZBYWBDEIZ-SCLBCKFNSA-N 1 0 348.830 4.115 20 5 EIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273252908 1055567241 /nfs/dbraw/zinc/56/72/41/1055567241.db2.gz AJALDVBIYHJLNO-RBUKOAKNSA-N 1 0 344.386 4.086 20 5 EIBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000301561587 1055733634 /nfs/dbraw/zinc/73/36/34/1055733634.db2.gz UXKWDNSFYFRHCI-MAUKXSAKSA-N 1 0 325.412 4.060 20 5 EIBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273409122 1055804188 /nfs/dbraw/zinc/80/41/88/1055804188.db2.gz HZWNMMWWHFWJDQ-MJGOQNOKSA-N 1 0 344.386 4.086 20 5 EIBDRO CC(C)C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000765849848 1055914605 /nfs/dbraw/zinc/91/46/05/1055914605.db2.gz RSKZTPLFMSVLCL-JKSUJKDBSA-N 1 0 334.441 4.067 20 5 EIBDRO CC[C@@H]([NH2+]CCc1cccc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000327259399 1056390870 /nfs/dbraw/zinc/39/08/70/1056390870.db2.gz ANUHEMAFBHPIPR-LJQANCHMSA-N 1 0 335.407 4.426 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)o2)c1 ZINC000554880693 1056504441 /nfs/dbraw/zinc/50/44/41/1056504441.db2.gz OVSUMBWNYLQCBW-HLAWJBBLSA-N 1 0 346.386 4.283 20 5 EIBDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000742382529 1058582373 /nfs/dbraw/zinc/58/23/73/1058582373.db2.gz CLUUPKOEXZNBPV-IUODEOHRSA-N 1 0 349.481 4.092 20 5 EIBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(C)(C)C)cc1 ZINC000743462831 1059017865 /nfs/dbraw/zinc/01/78/65/1059017865.db2.gz BAAHWXBYEBZXII-LIRRHRJNSA-N 1 0 342.439 4.277 20 5 EIBDRO Cc1ccc(N2CCC[C@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000746049727 1059984827 /nfs/dbraw/zinc/98/48/27/1059984827.db2.gz WZYZWRVNSLSAAL-AEFFLSMTSA-N 1 0 339.439 4.223 20 5 EIBDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000746141236 1060043578 /nfs/dbraw/zinc/04/35/78/1060043578.db2.gz SVORCCVZJXAQCY-LJQANCHMSA-N 1 0 344.386 4.252 20 5 EIBDRO COCCCC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000145019263 1060256877 /nfs/dbraw/zinc/25/68/77/1060256877.db2.gz KTJFBVHUOLFZHM-UHFFFAOYSA-N 1 0 346.402 4.163 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC001168958772 1060556034 /nfs/dbraw/zinc/55/60/34/1060556034.db2.gz ZUKHDSVKPIHSRL-GOSISDBHSA-N 1 0 326.396 4.331 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3ccccc3C(F)(F)F)CCC2)C1 ZINC001168994039 1060569373 /nfs/dbraw/zinc/56/93/73/1060569373.db2.gz OBYMIUUOBWAISF-STQMWFEESA-N 1 0 342.361 4.120 20 5 EIBDRO Cc1ccc(Oc2ccc(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)cc2)cc1 ZINC001169000346 1060572331 /nfs/dbraw/zinc/57/23/31/1060572331.db2.gz XNNFBENLWCPXNJ-ROUUACIJSA-N 1 0 340.423 4.322 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(Cc3cccc(Cl)c3)CC2)C1 ZINC001169013430 1060578887 /nfs/dbraw/zinc/57/88/87/1060578887.db2.gz UYGGIUXQUNYAQP-AEFFLSMTSA-N 1 0 336.863 4.040 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCC3CCCCC3)c2)C1 ZINC001168988388 1060585206 /nfs/dbraw/zinc/58/52/06/1060585206.db2.gz RUFSFCKOEOHNKG-RBUKOAKNSA-N 1 0 346.471 4.181 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](c3cccc(Cl)c3Cl)C2)C1 ZINC001169035903 1060593348 /nfs/dbraw/zinc/59/33/48/1060593348.db2.gz MGMPLSUKMMDXAT-AGIUHOORSA-N 1 0 343.254 4.228 20 5 EIBDRO C[N@H+](Cc1ccc(Oc2ccccc2)cc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037066 1060596026 /nfs/dbraw/zinc/59/60/26/1060596026.db2.gz IOWGFBKHAGBIPW-MSOLQXFVSA-N 1 0 340.423 4.356 20 5 EIBDRO CC[N@H+](Cc1ccc(Cl)cc1Cl)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169044852 1060598231 /nfs/dbraw/zinc/59/82/31/1060598231.db2.gz JCJIIPKWIZCECD-RISCZKNCSA-N 1 0 331.243 4.261 20 5 EIBDRO CC1(C)C[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001169137239 1060653405 /nfs/dbraw/zinc/65/34/05/1060653405.db2.gz JESLXHUKNLYQOD-YJYMSZOUSA-N 1 0 342.443 4.099 20 5 EIBDRO CC1(C)C[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C[C@@](C)(C[NH3+])C1 ZINC001169141561 1060660566 /nfs/dbraw/zinc/66/05/66/1060660566.db2.gz CBWDOBBWULNLSF-BFUOFWGJSA-N 1 0 342.443 4.099 20 5 EIBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc([N+](=O)[O-])cc(C)c1F ZINC001169690440 1060903256 /nfs/dbraw/zinc/90/32/56/1060903256.db2.gz LRDYXICDOQJFFI-OAHLLOKOSA-N 1 0 329.375 4.282 20 5 EIBDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001169781097 1060967387 /nfs/dbraw/zinc/96/73/87/1060967387.db2.gz RSDAMPLURPHCCS-MRXNPFEDSA-N 1 0 326.824 4.029 20 5 EIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCCC[C@@H]2c2ccco2)c1 ZINC000078831613 217130285 /nfs/dbraw/zinc/13/02/85/217130285.db2.gz FTFJFMUVJGAHKV-QGZVFWFLSA-N 1 0 330.384 4.184 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]CCCOCCc2ccccc2)cc1[N+](=O)[O-] ZINC000532194681 1032080378 /nfs/dbraw/zinc/08/03/78/1032080378.db2.gz SAFRYJUPEXGCNB-KRWDZBQOSA-N 1 0 342.439 4.203 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000532227361 1032106655 /nfs/dbraw/zinc/10/66/55/1032106655.db2.gz JBOJINDBQYDIQD-GJZGRUSLSA-N 1 0 326.396 4.120 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000121762323 1032134029 /nfs/dbraw/zinc/13/40/29/1032134029.db2.gz UHBWOXCVUVEKMY-STQMWFEESA-N 1 0 328.368 4.044 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccnc3ccccc23)C2CC2)c1 ZINC000536638692 1032325724 /nfs/dbraw/zinc/32/57/24/1032325724.db2.gz KYGVGXFHERBBTK-UHFFFAOYSA-N 1 0 333.391 4.308 20 5 EIBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000475721410 1032500581 /nfs/dbraw/zinc/50/05/81/1032500581.db2.gz AZNFBCZTZKPUIA-ILXRZTDVSA-N 1 0 343.427 4.159 20 5 EIBDRO CCCNc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000577649106 1018882768 /nfs/dbraw/zinc/88/27/68/1018882768.db2.gz SPKAFYAOVQGJGY-GOSISDBHSA-N 1 0 325.412 4.194 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CSc2ccccc21 ZINC000584850662 1032827993 /nfs/dbraw/zinc/82/79/93/1032827993.db2.gz QCWVTZOJWDIAQY-LRDDRELGSA-N 1 0 326.421 4.061 20 5 EIBDRO Cc1ccc([C@H](C)[N@H+](C)CCOc2ccccc2[N+](=O)[O-])c(C)c1 ZINC001167145820 1020365836 /nfs/dbraw/zinc/36/58/36/1020365836.db2.gz IKJHLJDQCRUQRB-INIZCTEOSA-N 1 0 328.412 4.283 20 5 EIBDRO C[C@H](C1CC1)[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC001167261597 1020716504 /nfs/dbraw/zinc/71/65/04/1020716504.db2.gz CNFRXBWOBWYPDN-SNVBAGLBSA-N 1 0 339.233 4.120 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000089552468 1020854760 /nfs/dbraw/zinc/85/47/60/1020854760.db2.gz DZJDGABPMMEHFC-SJCJKPOMSA-N 1 0 344.386 4.471 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000177229904 1020960691 /nfs/dbraw/zinc/96/06/91/1020960691.db2.gz QHBCBQHZCIKICO-HUUCEWRRSA-N 1 0 336.395 4.192 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000340514536 1021182388 /nfs/dbraw/zinc/18/23/88/1021182388.db2.gz ZZYRKSXHHUFRJD-QGZVFWFLSA-N 1 0 346.814 4.164 20 5 EIBDRO COc1ccc2c(c1F)CC[C@H]2[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000290174253 1021189363 /nfs/dbraw/zinc/18/93/63/1021189363.db2.gz DWEHRZTVPITXKU-XHDPSFHLSA-N 1 0 330.359 4.081 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001167332383 1021194080 /nfs/dbraw/zinc/19/40/80/1021194080.db2.gz KFZCHRKZOOWJAQ-QGZVFWFLSA-N 1 0 340.423 4.058 20 5 EIBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(CCC(C)C)CC2)c1 ZINC001167690424 1021351088 /nfs/dbraw/zinc/35/10/88/1021351088.db2.gz RJSXRTWRPKRUDR-UHFFFAOYSA-N 1 0 348.443 4.030 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000610369753 1021551062 /nfs/dbraw/zinc/55/10/62/1021551062.db2.gz SSJYTLQQDMOKQJ-KBXCAEBGSA-N 1 0 328.437 4.446 20 5 EIBDRO CC(C)c1ccc(C[NH+]2CCC(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000580006324 1021679445 /nfs/dbraw/zinc/67/94/45/1021679445.db2.gz VCURIHKRGNDFOH-UHFFFAOYSA-N 1 0 339.439 4.493 20 5 EIBDRO CC(C)OCc1ccccc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580783233 1021815921 /nfs/dbraw/zinc/81/59/21/1021815921.db2.gz GKAARRFORKHVJM-LJQANCHMSA-N 1 0 340.423 4.297 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)c2ncccc2C)cc1[N+](=O)[O-] ZINC000581889013 1021889264 /nfs/dbraw/zinc/88/92/64/1021889264.db2.gz CFMBHKVWUHQLTR-OAHLLOKOSA-N 1 0 327.428 4.235 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1cncc(F)c1 ZINC000414133689 1021913061 /nfs/dbraw/zinc/91/30/61/1021913061.db2.gz BVZGYCBFLGDEFA-PMUMKWKESA-N 1 0 343.402 4.191 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000064938870 1022034565 /nfs/dbraw/zinc/03/45/65/1022034565.db2.gz LCOAGSZJERGQFZ-SFHVURJKSA-N 1 0 328.412 4.480 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000177791273 1022208831 /nfs/dbraw/zinc/20/88/31/1022208831.db2.gz RXHIZTSHMUYHQM-CHWSQXEVSA-N 1 0 328.368 4.044 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnc2ccccc2c1 ZINC000468639901 1022216627 /nfs/dbraw/zinc/21/66/27/1022216627.db2.gz UOVOCYVYQFBLJA-OQLLNIDSSA-N 1 0 333.391 4.336 20 5 EIBDRO COc1ccc(CCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000481058394 1022399969 /nfs/dbraw/zinc/39/99/69/1022399969.db2.gz WLHZUDCGJKHUAB-OAHLLOKOSA-N 1 0 328.412 4.195 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc2ccccc2n1 ZINC000468647120 1022473544 /nfs/dbraw/zinc/47/35/44/1022473544.db2.gz HSPAXMIBOYUZGU-RVDMUPIBSA-N 1 0 333.391 4.336 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H]3C3CCC3)o2)c1 ZINC000104694661 1022699424 /nfs/dbraw/zinc/69/94/24/1022699424.db2.gz FVUVKZDMFRLIKP-QGZVFWFLSA-N 1 0 341.411 4.057 20 5 EIBDRO CSCCCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180578384 1022723404 /nfs/dbraw/zinc/72/34/04/1022723404.db2.gz QIDNDHQSYVHCQW-SFHVURJKSA-N 1 0 330.453 4.417 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H]4CCC[C@@H]43)o2)c1 ZINC000072693718 1023024809 /nfs/dbraw/zinc/02/48/09/1023024809.db2.gz OVWDZDQDARQAOM-PBHICJAKSA-N 1 0 341.411 4.057 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC(C3CC3)C3CC3)o2)cc1 ZINC000610271861 1023099740 /nfs/dbraw/zinc/09/97/40/1023099740.db2.gz HESAIFBALRXWBV-UHFFFAOYSA-N 1 0 326.396 4.381 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC2(CCOCC2)[C@H]1C(C)C ZINC000414523134 1023248852 /nfs/dbraw/zinc/24/88/52/1023248852.db2.gz CVHQFVPASMIICB-KZIRBZLESA-N 1 0 344.455 4.135 20 5 EIBDRO C[C@@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1nccs1 ZINC000417343926 1023280097 /nfs/dbraw/zinc/28/00/97/1023280097.db2.gz PAQBCRAPHKTKCS-LRDDRELGSA-N 1 0 331.441 4.212 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1COCc3ccccc31)CCCC2 ZINC000417359350 1023285181 /nfs/dbraw/zinc/28/51/81/1023285181.db2.gz IOSFENMBEOZOTA-UXHICEINSA-N 1 0 338.407 4.223 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000566476356 1023303464 /nfs/dbraw/zinc/30/34/64/1023303464.db2.gz WRLANAQXYQVGFL-SJORKVTESA-N 1 0 342.370 4.225 20 5 EIBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133694 1023468976 /nfs/dbraw/zinc/46/89/76/1023468976.db2.gz CBVIPPNTAUSFOJ-UYAOXDASSA-N 1 0 340.423 4.195 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2c[nH]c3ccc(F)cc23)c(F)c1 ZINC000337316523 1023543429 /nfs/dbraw/zinc/54/34/29/1023543429.db2.gz YNCDLJRJCKNERV-UHFFFAOYSA-N 1 0 345.349 4.077 20 5 EIBDRO C[C@H]([NH2+]CC(C)(C)CCO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178161459 1023744698 /nfs/dbraw/zinc/74/46/98/1023744698.db2.gz PZRMMIQUCQBUTH-ZDUSSCGKSA-N 1 0 348.468 4.383 20 5 EIBDRO COc1ccc(Cl)cc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000162775155 1023809674 /nfs/dbraw/zinc/80/96/74/1023809674.db2.gz RCBAFRAKMIWEBP-LBPRGKRZSA-N 1 0 334.803 4.416 20 5 EIBDRO CC(C)Oc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000175985839 1023883694 /nfs/dbraw/zinc/88/36/94/1023883694.db2.gz FCSPMIHVVLLAJF-UHFFFAOYSA-N 1 0 328.412 4.407 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]3C3CCCCC3)nc2c1 ZINC000610581307 1024114776 /nfs/dbraw/zinc/11/47/76/1024114776.db2.gz WJYYRRGAHNZTIN-MRXNPFEDSA-N 1 0 329.400 4.281 20 5 EIBDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000178356649 1024312224 /nfs/dbraw/zinc/31/22/24/1024312224.db2.gz ZFYBKIKWDCMFGZ-KBPBESRZSA-N 1 0 344.411 4.332 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125534992 1024403865 /nfs/dbraw/zinc/40/38/65/1024403865.db2.gz XNBSFKVJSTZJHU-HNNXBMFYSA-N 1 0 332.444 4.470 20 5 EIBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000341744785 1024560502 /nfs/dbraw/zinc/56/05/02/1024560502.db2.gz PNPVHSLTQIKFNF-MRXNPFEDSA-N 1 0 348.834 4.003 20 5 EIBDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000510959898 1024865957 /nfs/dbraw/zinc/86/59/57/1024865957.db2.gz QHYXJDDKKBGQRY-SJKOYZFVSA-N 1 0 344.386 4.389 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000136732118 1024906888 /nfs/dbraw/zinc/90/68/88/1024906888.db2.gz SBFQDMHOXCOVQC-OAHLLOKOSA-N 1 0 338.835 4.220 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000535777642 1024935636 /nfs/dbraw/zinc/93/56/36/1024935636.db2.gz KYBKGIHKUUZASV-KGLIPLIRSA-N 1 0 346.431 4.183 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000535777643 1024936235 /nfs/dbraw/zinc/93/62/35/1024936235.db2.gz KYBKGIHKUUZASV-UONOGXRCSA-N 1 0 346.431 4.183 20 5 EIBDRO CC[C@@H](CSC)[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000538194850 1025331483 /nfs/dbraw/zinc/33/14/83/1025331483.db2.gz LUJJQCBHNIWYNJ-STQMWFEESA-N 1 0 328.503 4.197 20 5 EIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000344093961 1026001407 /nfs/dbraw/zinc/00/14/07/1026001407.db2.gz QECMKNGKUSQPNM-OAHLLOKOSA-N 1 0 332.400 4.103 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCSc3c(F)cccc32)cc1 ZINC000320877339 1026078123 /nfs/dbraw/zinc/07/81/23/1026078123.db2.gz XAKHBIACLQFBHE-INIZCTEOSA-N 1 0 332.400 4.103 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCC[C@@H]3C3CCCC3)c2)cc1 ZINC000728899525 1026259431 /nfs/dbraw/zinc/25/94/31/1026259431.db2.gz VWGWSXFRACEBDY-LJQANCHMSA-N 1 0 340.427 4.070 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCC[C@H]3C3CCCC3)c2)cc1 ZINC000728899524 1026260420 /nfs/dbraw/zinc/26/04/20/1026260420.db2.gz VWGWSXFRACEBDY-IBGZPJMESA-N 1 0 340.427 4.070 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000158156423 1026296525 /nfs/dbraw/zinc/29/65/25/1026296525.db2.gz IJAZUMKDXJZRLG-LJHODMEESA-N 1 0 326.396 4.166 20 5 EIBDRO CC(C)(C)OC1CC([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451551720 1026369016 /nfs/dbraw/zinc/36/90/16/1026369016.db2.gz UUHJRDMPSOSLPT-FAEJEUNOSA-N 1 0 332.444 4.120 20 5 EIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000127565003 1026564280 /nfs/dbraw/zinc/56/42/80/1026564280.db2.gz AHOHHBNAHXWVSK-MCIONIFRSA-N 1 0 344.415 4.074 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000158212513 1026566103 /nfs/dbraw/zinc/56/61/03/1026566103.db2.gz ZBWQQLRIFCHHHK-VPWXQRGCSA-N 1 0 340.423 4.474 20 5 EIBDRO CCCO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182159161 1026619824 /nfs/dbraw/zinc/61/98/24/1026619824.db2.gz VORNVQCKUWUNEP-HNNXBMFYSA-N 1 0 326.824 4.029 20 5 EIBDRO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000507168981 1026681391 /nfs/dbraw/zinc/68/13/91/1026681391.db2.gz TZUJNBGVEHXOTD-UHFFFAOYSA-N 1 0 332.375 4.153 20 5 EIBDRO CC(C)[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000467864502 1026689380 /nfs/dbraw/zinc/68/93/80/1026689380.db2.gz BIBPCPHQNNTTOZ-DNVCBOLYSA-N 1 0 327.428 4.382 20 5 EIBDRO C[C@H](CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000467411062 1026907485 /nfs/dbraw/zinc/90/74/85/1026907485.db2.gz MBSWSVJIPOPMLL-KBAYOESNSA-N 1 0 342.443 4.058 20 5 EIBDRO CCC[C@@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000611480922 1026989881 /nfs/dbraw/zinc/98/98/81/1026989881.db2.gz UXZSFDDLSMZUEG-GOSISDBHSA-N 1 0 337.383 4.129 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000519776635 1026994491 /nfs/dbraw/zinc/99/44/91/1026994491.db2.gz LXZUFNRRGBBDHR-XZOAIXRZSA-N 1 0 346.814 4.429 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OCc2ccccc2)CC1 ZINC000075588556 1027052920 /nfs/dbraw/zinc/05/29/20/1027052920.db2.gz ICGZTTQJAHMMLQ-INIZCTEOSA-N 1 0 340.423 4.337 20 5 EIBDRO COc1ccc(C[NH2+]CC2(c3ccccc3)CCCC2)cc1[N+](=O)[O-] ZINC000025493621 1027196602 /nfs/dbraw/zinc/19/66/02/1027196602.db2.gz XASNTDNLPPJHKM-UHFFFAOYSA-N 1 0 340.423 4.205 20 5 EIBDRO C[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178653078 1027256685 /nfs/dbraw/zinc/25/66/85/1027256685.db2.gz ZVJYIZGMCGSUDU-LBPRGKRZSA-N 1 0 336.338 4.090 20 5 EIBDRO C[C@H](NC1CC[NH+](C2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178661349 1027285409 /nfs/dbraw/zinc/28/54/09/1027285409.db2.gz FHGDDMSEQXFCOQ-HNNXBMFYSA-N 1 0 331.460 4.043 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000441401217 1027526021 /nfs/dbraw/zinc/52/60/21/1027526021.db2.gz XUZQZULIUKAJAR-KURKYZTESA-N 1 0 345.487 4.242 20 5 EIBDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000475577146 1027701200 /nfs/dbraw/zinc/70/12/00/1027701200.db2.gz ZNHBETHRVOJLAK-IBGZPJMESA-N 1 0 344.411 4.246 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186697507 1027822697 /nfs/dbraw/zinc/82/26/97/1027822697.db2.gz AMRLLNXEWUFIGY-FOIQADDNSA-N 1 0 338.407 4.096 20 5 EIBDRO C[C@@H]1CCC[C@H]([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000248582434 1027883817 /nfs/dbraw/zinc/88/38/17/1027883817.db2.gz WIHGZEAPGGGTTJ-KEYYUXOJSA-N 1 0 343.427 4.207 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](c3ccccc3)C3CCC3)nc2c1 ZINC000444663024 1027919330 /nfs/dbraw/zinc/91/93/30/1027919330.db2.gz KKPJCMNIGOTYEC-IBGZPJMESA-N 1 0 336.395 4.102 20 5 EIBDRO CC(C)O[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000428310751 1027981897 /nfs/dbraw/zinc/98/18/97/1027981897.db2.gz IMVSADMFDKDZBO-DNVCBOLYSA-N 1 0 328.412 4.412 20 5 EIBDRO CC1CCC([N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]2CCCO2)CC1 ZINC000441442255 1027983499 /nfs/dbraw/zinc/98/34/99/1027983499.db2.gz SSMMZIJIFOIOLV-AVVWSFFYSA-N 1 0 338.473 4.216 20 5 EIBDRO CC(C)[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000444749603 1028036994 /nfs/dbraw/zinc/03/69/94/1028036994.db2.gz UBNTYOMNQRJPGN-DZGCQCFKSA-N 1 0 344.415 4.074 20 5 EIBDRO CCCC(O)(CCC)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000523391255 1028060617 /nfs/dbraw/zinc/06/06/17/1028060617.db2.gz FEUIHOJJILUOOO-UHFFFAOYSA-N 1 0 346.427 4.276 20 5 EIBDRO CC[C@H]1CCCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000536372446 1028199431 /nfs/dbraw/zinc/19/94/31/1028199431.db2.gz XTXYGUWRFUEKCJ-INIZCTEOSA-N 1 0 329.400 4.404 20 5 EIBDRO O=[N+]([O-])c1ccc(CSCc2cncn2Cc2ccccc2)cc1 ZINC000445597296 1028787453 /nfs/dbraw/zinc/78/74/53/1028787453.db2.gz OMOOOISEXRLRKU-UHFFFAOYSA-N 1 0 339.420 4.273 20 5 EIBDRO CC[C@@]1(C)CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000245458095 1028860483 /nfs/dbraw/zinc/86/04/83/1028860483.db2.gz UTABCUCALHOWCQ-ACJLOTCBSA-N 1 0 344.415 4.218 20 5 EIBDRO CCc1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)on1 ZINC000524637554 1029135126 /nfs/dbraw/zinc/13/51/26/1029135126.db2.gz KBGNGOHORDWOOJ-UHFFFAOYSA-N 1 0 343.408 4.164 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc3c(n2)CCCC3)cccc1[N+](=O)[O-] ZINC000278472744 1029304156 /nfs/dbraw/zinc/30/41/56/1029304156.db2.gz OABNFFVPPBXKFO-CQSZACIVSA-N 1 0 325.412 4.028 20 5 EIBDRO C[NH+](C)[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000248007622 1029469115 /nfs/dbraw/zinc/46/91/15/1029469115.db2.gz OUAPXFPNYXJFEA-CYBMUJFWSA-N 1 0 325.821 4.025 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000475281504 1029496970 /nfs/dbraw/zinc/49/69/70/1029496970.db2.gz PNBGXSSKBMLFIJ-SLSOJXQNSA-N 1 0 328.334 4.271 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@H]4CCC[C@H]43)cs2)c1 ZINC000428451746 1029533986 /nfs/dbraw/zinc/53/39/86/1029533986.db2.gz FKKQQIOKMKOKLE-MLGOLLRUSA-N 1 0 329.425 4.093 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000475334767 1029549391 /nfs/dbraw/zinc/54/93/91/1029549391.db2.gz QYOSYBDCICGBDA-DOTOQJQBSA-N 1 0 344.386 4.168 20 5 EIBDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000475334057 1029561880 /nfs/dbraw/zinc/56/18/80/1029561880.db2.gz USFATZJLYCRUJB-GOSISDBHSA-N 1 0 346.452 4.060 20 5 EIBDRO CC(C)n1cc([C@@H](C)[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000573160202 1029695293 /nfs/dbraw/zinc/69/52/93/1029695293.db2.gz IJNGUCTZWGYSPC-ACJLOTCBSA-N 1 0 342.443 4.445 20 5 EIBDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000525758952 1029983074 /nfs/dbraw/zinc/98/30/74/1029983074.db2.gz YXOIOFMHBOYUFJ-ZIAGYGMSSA-N 1 0 348.468 4.210 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1cccc3cccnc31)CCC2 ZINC000447526203 1030120410 /nfs/dbraw/zinc/12/04/10/1030120410.db2.gz BWHMUJBDYMRTJV-FQEVSTJZSA-N 1 0 347.418 4.353 20 5 EIBDRO CCO[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000447552141 1030133132 /nfs/dbraw/zinc/13/31/32/1030133132.db2.gz MMGDOAQKCNCSBE-PMACEKPBSA-N 1 0 340.423 4.340 20 5 EIBDRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447585594 1030183577 /nfs/dbraw/zinc/18/35/77/1030183577.db2.gz KTCGFUGGVHHATM-MOPGFXCFSA-N 1 0 338.407 4.312 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1COc2ccccc21 ZINC000447576103 1030202522 /nfs/dbraw/zinc/20/25/22/1030202522.db2.gz WKXKPMWBERMMKZ-AGRHKRQWSA-N 1 0 338.407 4.127 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(F)c(F)c1 ZINC000526049801 1030233761 /nfs/dbraw/zinc/23/37/61/1030233761.db2.gz FNNGTXRZHMXJFQ-CYBMUJFWSA-N 1 0 334.366 4.026 20 5 EIBDRO CCOc1cc(CN2CC[C@@H](C(F)(F)F)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000451410578 1030466049 /nfs/dbraw/zinc/46/60/49/1030466049.db2.gz SRRAVWQIALQGJQ-WCQYABFASA-N 1 0 346.349 4.156 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000527099836 1030482230 /nfs/dbraw/zinc/48/22/30/1030482230.db2.gz YLHAUVMTUHGALU-SJKOYZFVSA-N 1 0 330.359 4.217 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](Cc1ccccn1)C(C)C ZINC000527304343 1030608414 /nfs/dbraw/zinc/60/84/14/1030608414.db2.gz BQLZQPSASQMHJD-WJDWOHSUSA-N 1 0 325.412 4.304 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCCN(C)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000451866312 1030746764 /nfs/dbraw/zinc/74/67/64/1030746764.db2.gz JLCCSNSZGOTTSX-KSSFIOAISA-N 1 0 325.412 4.217 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2ccc(O)cc2)s1 ZINC000102426505 1030773321 /nfs/dbraw/zinc/77/33/21/1030773321.db2.gz SRKSZSQXNVNVGQ-UHFFFAOYSA-N 1 0 340.404 4.319 20 5 EIBDRO Cc1ccc(C[NH2+]C[C@@H]2SCCc3ccccc32)cc1[N+](=O)[O-] ZINC000530913265 1030807448 /nfs/dbraw/zinc/80/74/48/1030807448.db2.gz GXMZZUSOXJIRFO-SFHVURJKSA-N 1 0 328.437 4.023 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000614817235 1031024984 /nfs/dbraw/zinc/02/49/84/1031024984.db2.gz AOHYEPGJWYUEFG-AEFFLSMTSA-N 1 0 328.387 4.202 20 5 EIBDRO Cc1ncc(CN(C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000179381751 1031040002 /nfs/dbraw/zinc/04/00/02/1031040002.db2.gz GUFVQIGMJFAPQB-UHFFFAOYSA-N 1 0 343.408 4.252 20 5 EIBDRO CCC(=O)Nc1cccc(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)c1 ZINC000532446414 1031082797 /nfs/dbraw/zinc/08/27/97/1031082797.db2.gz YUDANFPIUMQGKU-GOSISDBHSA-N 1 0 341.411 4.184 20 5 EIBDRO C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000532461707 1031121266 /nfs/dbraw/zinc/12/12/66/1031121266.db2.gz OOXADVGEMJOTSF-SCLBCKFNSA-N 1 0 347.846 4.202 20 5 EIBDRO C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(F)cc1 ZINC000532482146 1031216566 /nfs/dbraw/zinc/21/65/66/1031216566.db2.gz RDODMPMWTBMBOW-LIRRHRJNSA-N 1 0 342.414 4.448 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000179662054 1031252702 /nfs/dbraw/zinc/25/27/02/1031252702.db2.gz AGCWURKMTZEYOX-AWEZNQCLSA-N 1 0 344.411 4.241 20 5 EIBDRO C[C@@H](C[NH2+][C@H]1CCOC2(CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897461085 1031390032 /nfs/dbraw/zinc/39/00/32/1031390032.db2.gz YOOGYEMRHJSYAM-HOTGVXAUSA-N 1 0 332.444 4.170 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000449072482 1031426760 /nfs/dbraw/zinc/42/67/60/1031426760.db2.gz KTBZJVNNCWQYIA-MRVWCRGKSA-N 1 0 330.350 4.237 20 5 EIBDRO Cc1cccc2[nH]cc(CC[NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])c21 ZINC000449122853 1031461903 /nfs/dbraw/zinc/46/19/03/1031461903.db2.gz MGNOMAFHZKTVQJ-HNNXBMFYSA-N 1 0 337.423 4.148 20 5 EIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000449171245 1031491059 /nfs/dbraw/zinc/49/10/59/1031491059.db2.gz HURLICXONQQSBW-OPFPJEHXSA-N 1 0 344.377 4.484 20 5 EIBDRO Cc1cnc([C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000449174528 1031495139 /nfs/dbraw/zinc/49/51/39/1031495139.db2.gz YVBGJUPAYWYGGL-BDJLRTHQSA-N 1 0 331.441 4.032 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000237492497 1031538205 /nfs/dbraw/zinc/53/82/05/1031538205.db2.gz BXBFTAHTOQCOBF-HUUCEWRRSA-N 1 0 328.412 4.281 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C)c3ccsc32)cc1[N+](=O)[O-] ZINC000453073684 1031556761 /nfs/dbraw/zinc/55/67/61/1031556761.db2.gz BXSRUCSEOQCZDK-RISCZKNCSA-N 1 0 332.425 4.393 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000449348645 1031643537 /nfs/dbraw/zinc/64/35/37/1031643537.db2.gz MRFLACZWJNVOIB-LESCRADOSA-N 1 0 325.412 4.367 20 5 EIBDRO Cc1cccc(NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000612578539 1031671866 /nfs/dbraw/zinc/67/18/66/1031671866.db2.gz TWTYQLRWAQGVPL-UHFFFAOYSA-N 1 0 339.439 4.288 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCC1(F)F ZINC000449380088 1031691200 /nfs/dbraw/zinc/69/12/00/1031691200.db2.gz VEOSYYKEGFFBMK-ZFWWWQNUSA-N 1 0 326.387 4.331 20 5 EIBDRO C[C@@H](CCO)CC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453263816 1031787573 /nfs/dbraw/zinc/78/75/73/1031787573.db2.gz YZKSJOOPPLQJMM-ZIAGYGMSSA-N 1 0 348.468 4.383 20 5 EIBDRO CCO[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000449495021 1031803315 /nfs/dbraw/zinc/80/33/15/1031803315.db2.gz NTKLNKXAQTXCNX-KSSFIOAISA-N 1 0 344.411 4.102 20 5 EIBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CCOC3(CCC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000453318583 1031843388 /nfs/dbraw/zinc/84/33/88/1031843388.db2.gz MSAMIQLHSLPVGS-KSSFIOAISA-N 1 0 344.455 4.256 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cccc2cccnc21 ZINC000531942568 1031855980 /nfs/dbraw/zinc/85/59/80/1031855980.db2.gz LIPFNRBIVZLFRL-HNNXBMFYSA-N 1 0 335.407 4.345 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000531960912 1031878661 /nfs/dbraw/zinc/87/86/61/1031878661.db2.gz FIXSTHMQXPXMRN-HUUCEWRRSA-N 1 0 328.412 4.281 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2cccs2)C1)c1ccccc1[N+](=O)[O-] ZINC000453350542 1031879065 /nfs/dbraw/zinc/87/90/65/1031879065.db2.gz BPUORWJUOOPOGF-ZENOOKHLSA-N 1 0 332.425 4.227 20 5 EIBDRO COc1ccccc1C1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000531964492 1031886318 /nfs/dbraw/zinc/88/63/18/1031886318.db2.gz TZIVABFKQGKDMV-HNNXBMFYSA-N 1 0 340.423 4.294 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)c2cc([N+](=O)[O-])ccc21 ZINC000453441596 1031970539 /nfs/dbraw/zinc/97/05/39/1031970539.db2.gz WWHRFHMLEIDMJG-CXAGYDPISA-N 1 0 332.444 4.112 20 5 EIBDRO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC000573639616 1033416172 /nfs/dbraw/zinc/41/61/72/1033416172.db2.gz FCDNJYVFKIGYMF-MNDMWVCDSA-N 1 0 348.406 4.145 20 5 EIBDRO C[C@H](CCO)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453263811 1033744137 /nfs/dbraw/zinc/74/41/37/1033744137.db2.gz YZKSJOOPPLQJMM-KBPBESRZSA-N 1 0 348.468 4.383 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000453319322 1033817766 /nfs/dbraw/zinc/81/77/66/1033817766.db2.gz NGVJKEOGWCPPBR-DGCLKSJQSA-N 1 0 328.359 4.080 20 5 EIBDRO CC1(C)C[C@H]([NH2+]Cc2cc(F)cc(F)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433144168 1033909988 /nfs/dbraw/zinc/90/99/88/1033909988.db2.gz BETOPIINLYLDBH-KRWDZBQOSA-N 1 0 332.350 4.385 20 5 EIBDRO COC[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000433220421 1034068944 /nfs/dbraw/zinc/06/89/44/1034068944.db2.gz LDUDXFZRCHGQTE-RBUKOAKNSA-N 1 0 340.423 4.295 20 5 EIBDRO COCc1ccc([C@H]2CCC[N@@H+]2C/C=C/c2ccccc2[N+](=O)[O-])o1 ZINC000137077326 1034555774 /nfs/dbraw/zinc/55/57/74/1034555774.db2.gz IGMCNRLXJWSASR-WEBJUUICSA-N 1 0 342.395 4.185 20 5 EIBDRO COCc1ccccc1/C=C(/C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000513174053 1034825817 /nfs/dbraw/zinc/82/58/17/1034825817.db2.gz NWLXKVMZEWJGPD-PTNGSMBKSA-N 1 0 340.423 4.243 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCCCC34CCCC4)nc2c1 ZINC000513272907 1034863290 /nfs/dbraw/zinc/86/32/90/1034863290.db2.gz TZUIAKOIDQYMMF-INIZCTEOSA-N 1 0 328.416 4.064 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000182726614 1034987236 /nfs/dbraw/zinc/98/72/36/1034987236.db2.gz XRCMJIABLYPHHC-KGLIPLIRSA-N 1 0 331.441 4.300 20 5 EIBDRO CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccoc2)cc1[N+](=O)[O-] ZINC000513613348 1035058548 /nfs/dbraw/zinc/05/85/48/1035058548.db2.gz OKZHGUHRSIXWLO-UHFFFAOYSA-N 1 0 337.379 4.246 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000595012187 1035505707 /nfs/dbraw/zinc/50/57/07/1035505707.db2.gz FBZGADSSJWXAKZ-UGSOOPFHSA-N 1 0 326.396 4.250 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](c1cccnc1)C(C)C ZINC000595015080 1035508070 /nfs/dbraw/zinc/50/80/70/1035508070.db2.gz WYZLRUPBJYIRBQ-KDOFPFPSSA-N 1 0 343.427 4.089 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000595020230 1035508311 /nfs/dbraw/zinc/50/83/11/1035508311.db2.gz WKMXYEBBDDMTSW-UGSOOPFHSA-N 1 0 326.396 4.250 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccnc3ccccc23)cc1[N+](=O)[O-] ZINC000595072147 1035554004 /nfs/dbraw/zinc/55/40/04/1035554004.db2.gz GUEFYQIYWSSACJ-HNNXBMFYSA-N 1 0 335.407 4.345 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccnc3ccccc23)cc1[N+](=O)[O-] ZINC000595072148 1035556329 /nfs/dbraw/zinc/55/63/29/1035556329.db2.gz GUEFYQIYWSSACJ-OAHLLOKOSA-N 1 0 335.407 4.345 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000595050062 1035571741 /nfs/dbraw/zinc/57/17/41/1035571741.db2.gz FIPKOTGVZBLOMD-HUUCEWRRSA-N 1 0 343.427 4.060 20 5 EIBDRO CCC[C@H]([NH2+][C@H](c1ccccc1)[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000595101403 1035587620 /nfs/dbraw/zinc/58/76/20/1035587620.db2.gz FLACTVLNCVIXOM-CCKFTAQKSA-N 1 0 328.412 4.148 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H](c2ccccc2)[C@@H](O)C(C)C)cccc1[N+](=O)[O-] ZINC000595097595 1035605049 /nfs/dbraw/zinc/60/50/49/1035605049.db2.gz YXKLCZLNBAEEET-BEVDRBHNSA-N 1 0 342.439 4.312 20 5 EIBDRO Cc1noc(C[N@@H+]2CCC[C@H]2c2cccc3ccccc32)c1[N+](=O)[O-] ZINC000595295682 1035621680 /nfs/dbraw/zinc/62/16/80/1035621680.db2.gz OYBJRGMRRXDFOL-KRWDZBQOSA-N 1 0 337.379 4.382 20 5 EIBDRO Cc1noc(C[N@@H+](C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000595334485 1035629705 /nfs/dbraw/zinc/62/97/05/1035629705.db2.gz QYBHFRFVRBCKES-CMPLNLGQSA-N 1 0 337.807 4.169 20 5 EIBDRO CCCc1ccc([C@@H](NCc2onc(C)c2[N+](=O)[O-])C(C)C)cc1 ZINC000595351478 1035663167 /nfs/dbraw/zinc/66/31/67/1035663167.db2.gz SQRRIKKWYQCNFS-KRWDZBQOSA-N 1 0 331.416 4.331 20 5 EIBDRO Cc1noc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595548485 1035704970 /nfs/dbraw/zinc/70/49/70/1035704970.db2.gz SNUMZCUFWUORBN-HZPDHXFCSA-N 1 0 329.400 4.049 20 5 EIBDRO Cc1cc([C@@H]2CN([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)ccc1F ZINC000491160606 1035817935 /nfs/dbraw/zinc/81/79/35/1035817935.db2.gz IGMYATJJKQCGEI-KUHUBIRLSA-N 1 0 344.386 4.177 20 5 EIBDRO CCOc1cc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000420939744 1035881893 /nfs/dbraw/zinc/88/18/93/1035881893.db2.gz CFTFBMISONKXGB-CYBMUJFWSA-N 1 0 346.349 4.158 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000601320646 1036050126 /nfs/dbraw/zinc/05/01/26/1036050126.db2.gz IAMPLNZUWLRXBK-ZDUSSCGKSA-N 1 0 339.395 4.326 20 5 EIBDRO COCc1csc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000597136943 1036116143 /nfs/dbraw/zinc/11/61/43/1036116143.db2.gz CQYFLCXWZDQTDM-INIZCTEOSA-N 1 0 346.452 4.182 20 5 EIBDRO Cc1ccc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000485727972 1036212395 /nfs/dbraw/zinc/21/23/95/1036212395.db2.gz YLQIMTXGINKEJH-HNNXBMFYSA-N 1 0 338.329 4.339 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C1CC1 ZINC000502599420 1036394983 /nfs/dbraw/zinc/39/49/83/1036394983.db2.gz JWVDUSYCGXKTQY-XJKSGUPXSA-N 1 0 338.398 4.331 20 5 EIBDRO Cc1cc(N2CCC3(CC3(F)F)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000593498773 1036445874 /nfs/dbraw/zinc/44/58/74/1036445874.db2.gz QHLCHQQNYSFIQO-UHFFFAOYSA-N 1 0 333.338 4.077 20 5 EIBDRO CC(C)OC1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602450638 1036446937 /nfs/dbraw/zinc/44/69/37/1036446937.db2.gz RGBCMTONJPOQAD-UHFFFAOYSA-N 1 0 346.349 4.003 20 5 EIBDRO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602576507 1036506819 /nfs/dbraw/zinc/50/68/19/1036506819.db2.gz CNYHUTZCEWUPBJ-CWTRNNRKSA-N 1 0 337.379 4.149 20 5 EIBDRO Cc1csc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000602677549 1036566118 /nfs/dbraw/zinc/56/61/18/1036566118.db2.gz YGLHQRPPJHTDCU-UHFFFAOYSA-N 1 0 330.331 4.273 20 5 EIBDRO C[C@H](CF)[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000588930340 1036610123 /nfs/dbraw/zinc/61/01/23/1036610123.db2.gz FELPMJKRRNPVQW-LLVKDONJSA-N 1 0 338.766 4.488 20 5 EIBDRO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000588982858 1036633220 /nfs/dbraw/zinc/63/32/20/1036633220.db2.gz HAGISDYTYLISSW-PHIMTYICSA-N 1 0 334.313 4.287 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000589200208 1036707424 /nfs/dbraw/zinc/70/74/24/1036707424.db2.gz WJKXSVIJKNQLJS-UEOVIOECSA-N 1 0 344.455 4.137 20 5 EIBDRO COc1ccc([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000061029969 1036783530 /nfs/dbraw/zinc/78/35/30/1036783530.db2.gz ZBCJPGNJYOWSSJ-NRFANRHFSA-N 1 0 348.402 4.483 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC13CCSCC3)CCC2 ZINC000421889270 1036835723 /nfs/dbraw/zinc/83/57/23/1036835723.db2.gz UIYQCHRRHUVSGO-PBHICJAKSA-N 1 0 332.469 4.095 20 5 EIBDRO Cc1c(C[NH2+]Cc2csc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000598977825 1036839566 /nfs/dbraw/zinc/83/95/66/1036839566.db2.gz NYMDGZOMPCMAIC-UHFFFAOYSA-N 1 0 330.331 4.273 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)c1ccc(C)cn1 ZINC000598992175 1036846687 /nfs/dbraw/zinc/84/66/87/1036846687.db2.gz XSUFHEIKUUPYFY-YBEGLDIGSA-N 1 0 339.439 4.269 20 5 EIBDRO CC(C)CCO[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000598996395 1036847368 /nfs/dbraw/zinc/84/73/68/1036847368.db2.gz HYXCZDBGMYJDOT-JCNLHEQBSA-N 1 0 338.423 4.197 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000599014587 1036851644 /nfs/dbraw/zinc/85/16/44/1036851644.db2.gz RWYNVFIFTUIQGT-ALCCZGGFSA-N 1 0 328.334 4.320 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000061116742 1036854601 /nfs/dbraw/zinc/85/46/01/1036854601.db2.gz UEULEVHFWIMODP-UHFFFAOYSA-N 1 0 348.402 4.464 20 5 EIBDRO CCCCC[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000486812301 1036861884 /nfs/dbraw/zinc/86/18/84/1036861884.db2.gz ZMHOOKXEILSRLI-OAHLLOKOSA-N 1 0 344.415 4.190 20 5 EIBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486802284 1036862966 /nfs/dbraw/zinc/86/29/66/1036862966.db2.gz WUWIAQGUIYBLLD-BBRMVZONSA-N 1 0 344.415 4.045 20 5 EIBDRO COc1ccc([C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C2CC2)cn1 ZINC000599095934 1036877557 /nfs/dbraw/zinc/87/75/57/1036877557.db2.gz JITORGYYHRSQMR-YJYMSZOUSA-N 1 0 341.411 4.109 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2cccc(F)c2)cc(C(F)(F)F)c1 ZINC000487188661 1037032428 /nfs/dbraw/zinc/03/24/28/1037032428.db2.gz OVDHQLUADJRGOM-UHFFFAOYSA-N 1 0 328.265 4.043 20 5 EIBDRO COc1ccc(C[N@H+](C)Cc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000603850642 1037045178 /nfs/dbraw/zinc/04/51/78/1037045178.db2.gz OQFCQSMIRACMRF-UHFFFAOYSA-N 1 0 336.391 4.389 20 5 EIBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2C)cc1[N+](=O)[O-] ZINC000603857528 1037050026 /nfs/dbraw/zinc/05/00/26/1037050026.db2.gz WPFQDHXFXIJYTG-QGZVFWFLSA-N 1 0 326.396 4.249 20 5 EIBDRO CC1CC[NH+](CCCCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000603860619 1037057664 /nfs/dbraw/zinc/05/76/64/1037057664.db2.gz PLSJZILUCSVXNT-UHFFFAOYSA-N 1 0 325.840 4.172 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000603889904 1037076880 /nfs/dbraw/zinc/07/68/80/1037076880.db2.gz DJCRGRRDLNBVDQ-QGZVFWFLSA-N 1 0 335.407 4.456 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000604080761 1037185159 /nfs/dbraw/zinc/18/51/59/1037185159.db2.gz CRFBUNASDTYIAZ-OAHLLOKOSA-N 1 0 328.412 4.413 20 5 EIBDRO CC[NH+](CC)[C@H](CNc1ccsc1[N+](=O)[O-])c1ccsc1 ZINC000604432640 1037388178 /nfs/dbraw/zinc/38/81/78/1037388178.db2.gz HLQSPZODMKPXPJ-CYBMUJFWSA-N 1 0 325.459 4.213 20 5 EIBDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000604492779 1037407954 /nfs/dbraw/zinc/40/79/54/1037407954.db2.gz UNTNRYNVEQCMHO-HXUWFJFHSA-N 1 0 340.423 4.155 20 5 EIBDRO COc1cc(C[NH2+]C2(c3cccc(C)c3)CCC2)c([N+](=O)[O-])cc1F ZINC000592146967 1037740977 /nfs/dbraw/zinc/74/09/77/1037740977.db2.gz XJKVIBHVAVKRAT-UHFFFAOYSA-N 1 0 344.386 4.220 20 5 EIBDRO CCCCN(C)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000489100267 1037863837 /nfs/dbraw/zinc/86/38/37/1037863837.db2.gz QARPMYFQYAZUAV-UHFFFAOYSA-N 1 0 347.484 4.145 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCCOC1 ZINC000503912349 1038014272 /nfs/dbraw/zinc/01/42/72/1038014272.db2.gz NLXGVGYTZCZOHV-HIFRSBDPSA-N 1 0 346.452 4.228 20 5 EIBDRO CCC[C@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000503936785 1038022824 /nfs/dbraw/zinc/02/28/24/1038022824.db2.gz IZTFTKLYDYGZDC-RRFJBIMHSA-N 1 0 328.359 4.186 20 5 EIBDRO C[C@H]([NH2+]CCCc1c[nH]c2ccc(F)cc12)c1cccc([N+](=O)[O-])c1 ZINC000503938538 1038026294 /nfs/dbraw/zinc/02/62/94/1038026294.db2.gz UMYLTNQVQIWEGP-ZDUSSCGKSA-N 1 0 341.386 4.499 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000058829281 1038108794 /nfs/dbraw/zinc/10/87/94/1038108794.db2.gz WGMFPOHVXCWJDX-UHFFFAOYSA-N 1 0 337.379 4.116 20 5 EIBDRO O=[N+]([O-])c1sccc1NCc1ccccc1C[NH+]1CCCCC1 ZINC000063256573 1038115055 /nfs/dbraw/zinc/11/50/55/1038115055.db2.gz XQQZONCSEVXCAL-UHFFFAOYSA-N 1 0 331.441 4.254 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCc3cc(N)ccc32)cccc1[N+](=O)[O-] ZINC000423342184 1038155548 /nfs/dbraw/zinc/15/55/48/1038155548.db2.gz CZBFEDJTWAXEJA-FZKQIMNGSA-N 1 0 325.412 4.214 20 5 EIBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCC(F)(F)CC1 ZINC000594043751 1038282619 /nfs/dbraw/zinc/28/26/19/1038282619.db2.gz LCZHDTSWOJUWQU-JTQLQIEISA-N 1 0 339.342 4.040 20 5 EIBDRO COc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000490034223 1038312501 /nfs/dbraw/zinc/31/25/01/1038312501.db2.gz UQIDPZIJPIELFS-HZPDHXFCSA-N 1 0 340.423 4.462 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000594710351 1038391350 /nfs/dbraw/zinc/39/13/50/1038391350.db2.gz IAGRCTZSSAQNDB-ABAIWWIYSA-N 1 0 346.349 4.136 20 5 EIBDRO COc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075752946 1038421055 /nfs/dbraw/zinc/42/10/55/1038421055.db2.gz YHUMRHVHDNEODF-GJZGRUSLSA-N 1 0 326.396 4.154 20 5 EIBDRO C[C@]1(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1(F)F ZINC000594978682 1038482878 /nfs/dbraw/zinc/48/28/78/1038482878.db2.gz VJMFLDUISMJKNC-INIZCTEOSA-N 1 0 336.338 4.380 20 5 EIBDRO COC1CC(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000594965140 1038556976 /nfs/dbraw/zinc/55/69/76/1038556976.db2.gz QBEUNKNQNDTWKG-UHFFFAOYSA-N 1 0 346.452 4.228 20 5 EIBDRO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000424207240 1038739526 /nfs/dbraw/zinc/73/95/26/1038739526.db2.gz XJRHBLMVLZBPDR-UHFFFAOYSA-N 1 0 334.803 4.282 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000539052658 1038800874 /nfs/dbraw/zinc/80/08/74/1038800874.db2.gz OECUCIRTCLWCJK-XJKSGUPXSA-N 1 0 338.398 4.474 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC000504900492 1038834592 /nfs/dbraw/zinc/83/45/92/1038834592.db2.gz YURKLARLQSDPDX-IUODEOHRSA-N 1 0 344.436 4.491 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000504906316 1038846725 /nfs/dbraw/zinc/84/67/25/1038846725.db2.gz WHZCMZKPPKLWJM-ZDUSSCGKSA-N 1 0 332.375 4.026 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)c3c2cccc3C)cc1[N+](=O)[O-] ZINC000504911292 1038849614 /nfs/dbraw/zinc/84/96/14/1038849614.db2.gz DKUNLUXYHDXPTA-CZUORRHYSA-N 1 0 326.396 4.250 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccn1 ZINC000504925962 1038857243 /nfs/dbraw/zinc/85/72/43/1038857243.db2.gz GBYMSCRSCWDRLS-KBPBESRZSA-N 1 0 331.441 4.211 20 5 EIBDRO Cc1cccc(NC2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000537616904 1038909520 /nfs/dbraw/zinc/90/95/20/1038909520.db2.gz JGFMVMNMNOKJNL-UHFFFAOYSA-N 1 0 339.439 4.288 20 5 EIBDRO CSCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537625487 1039037060 /nfs/dbraw/zinc/03/70/60/1039037060.db2.gz JIRMQNKAGCKREW-UHFFFAOYSA-N 1 0 340.832 4.303 20 5 EIBDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000481172584 1039090164 /nfs/dbraw/zinc/09/01/64/1039090164.db2.gz ITNDVJWUGHXNTI-GUYCJALGSA-N 1 0 329.400 4.308 20 5 EIBDRO CC1(C)CCCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000481186048 1039091640 /nfs/dbraw/zinc/09/16/40/1039091640.db2.gz DBUWAKRPLNXDHM-MRXNPFEDSA-N 1 0 329.400 4.308 20 5 EIBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534121140 1039120996 /nfs/dbraw/zinc/12/09/96/1039120996.db2.gz JXACGSOSAOVDPI-UONOGXRCSA-N 1 0 329.400 4.260 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCCc1c[nH]c2ccccc12 ZINC000237945511 1039132917 /nfs/dbraw/zinc/13/29/17/1039132917.db2.gz HTBFQAZPVXPEOM-VMPITWQZSA-N 1 0 335.407 4.312 20 5 EIBDRO CC[NH+](CC)Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000505266939 1039176201 /nfs/dbraw/zinc/17/62/01/1039176201.db2.gz SEMPHTBXPOBKON-UHFFFAOYSA-N 1 0 344.411 4.024 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCOCC2CC2)s1 ZINC000237954329 1039252605 /nfs/dbraw/zinc/25/26/05/1039252605.db2.gz RKOBMAFAWDICND-UHFFFAOYSA-N 1 0 346.452 4.230 20 5 EIBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000552270767 1039331508 /nfs/dbraw/zinc/33/15/08/1039331508.db2.gz BLIWLHJFPQFXIY-IMFGXOCKSA-N 1 0 340.423 4.036 20 5 EIBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000927035172 1039352660 /nfs/dbraw/zinc/35/26/60/1039352660.db2.gz GCDRUFRZAYDBHI-SWLSCSKDSA-N 1 0 338.448 4.073 20 5 EIBDRO COc1cccc(C2([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000552322545 1039379570 /nfs/dbraw/zinc/37/95/70/1039379570.db2.gz QTSFBSPDINBDJU-IBGZPJMESA-N 1 0 338.407 4.260 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000555592510 1039399468 /nfs/dbraw/zinc/39/94/68/1039399468.db2.gz WANZQKVIVSPHLY-OAHLLOKOSA-N 1 0 338.329 4.421 20 5 EIBDRO CO[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000514137003 1039661782 /nfs/dbraw/zinc/66/17/82/1039661782.db2.gz CCGNEURZYMLNLS-SJCJKPOMSA-N 1 0 334.803 4.287 20 5 EIBDRO COc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000514184375 1039705190 /nfs/dbraw/zinc/70/51/90/1039705190.db2.gz TWVVOYADINOQBA-SFHVURJKSA-N 1 0 340.423 4.119 20 5 EIBDRO CC(C)c1ccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000537649238 1039818152 /nfs/dbraw/zinc/81/81/52/1039818152.db2.gz VGLXYVBEQUSEDW-GOSISDBHSA-N 1 0 345.487 4.026 20 5 EIBDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000159987508 1040297514 /nfs/dbraw/zinc/29/75/14/1040297514.db2.gz UWUIFDVOTDPXJL-UONOGXRCSA-N 1 0 344.411 4.332 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000122172410 1040339798 /nfs/dbraw/zinc/33/97/98/1040339798.db2.gz FAVUYEKECJCNIO-STQMWFEESA-N 1 0 332.375 4.463 20 5 EIBDRO Cc1noc(C)c1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000171051159 1040370975 /nfs/dbraw/zinc/37/09/75/1040370975.db2.gz BAIBPUARSBDOND-UHFFFAOYSA-N 1 0 343.408 4.218 20 5 EIBDRO C[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000479468421 1040394166 /nfs/dbraw/zinc/39/41/66/1040394166.db2.gz SJEWVFYNUZSTRH-INIZCTEOSA-N 1 0 339.439 4.162 20 5 EIBDRO COc1cccc2cc([C@@H](C)[NH2+]CCc3cccc([N+](=O)[O-])c3)oc21 ZINC000539507120 1040485920 /nfs/dbraw/zinc/48/59/20/1040485920.db2.gz DHPNSEOHFJADFU-CYBMUJFWSA-N 1 0 340.379 4.243 20 5 EIBDRO CCOc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000479582807 1040491099 /nfs/dbraw/zinc/49/10/99/1040491099.db2.gz ZNGGVSFFDOBSFM-UHFFFAOYSA-N 1 0 328.412 4.404 20 5 EIBDRO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCc2ccccc21 ZINC000089884416 1040503972 /nfs/dbraw/zinc/50/39/72/1040503972.db2.gz ICQKGEGYGHQUNO-LJQANCHMSA-N 1 0 349.390 4.369 20 5 EIBDRO C[C@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482949980 1040590275 /nfs/dbraw/zinc/59/02/75/1040590275.db2.gz PVVRDJBIMMJPIO-UGSOOPFHSA-N 1 0 346.452 4.401 20 5 EIBDRO Cc1c([C@H](C)Nc2ccc(N3CCCCC3)cn2)cccc1[N+](=O)[O-] ZINC000539626571 1040625931 /nfs/dbraw/zinc/62/59/31/1040625931.db2.gz ANXFEPVFCBZLBU-HNNXBMFYSA-N 1 0 340.427 4.462 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000435782759 1040632145 /nfs/dbraw/zinc/63/21/45/1040632145.db2.gz STTTUADVGAWKHY-CYCNLVBKSA-N 1 0 326.371 4.283 20 5 EIBDRO C[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)C(C)(C)C[NH+](C)C ZINC000479776294 1040632663 /nfs/dbraw/zinc/63/26/63/1040632663.db2.gz SWXHAHJLCZRLKI-OAHLLOKOSA-N 1 0 349.478 4.094 20 5 EIBDRO C[C@H](NC(=O)c1cc2ccccc2c2cccnc12)C(C)(C)C[NH+](C)C ZINC000479776283 1040633111 /nfs/dbraw/zinc/63/31/11/1040633111.db2.gz SWXHAHJLCZRLKI-HNNXBMFYSA-N 1 0 349.478 4.094 20 5 EIBDRO Cc1cc(C[NH+](C)C)cc(N[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000539648715 1040641756 /nfs/dbraw/zinc/64/17/56/1040641756.db2.gz WFCVZKACSPCBOV-OAHLLOKOSA-N 1 0 327.428 4.446 20 5 EIBDRO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000537724984 1040776661 /nfs/dbraw/zinc/77/66/61/1040776661.db2.gz JLNFUKFGNWAOMX-QGZVFWFLSA-N 1 0 344.411 4.102 20 5 EIBDRO CCCCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC001167960108 1040807297 /nfs/dbraw/zinc/80/72/97/1040807297.db2.gz SCCZYVQSLMTJLU-SJORKVTESA-N 1 0 338.423 4.150 20 5 EIBDRO COc1cccc(O[C@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000483641748 1040924999 /nfs/dbraw/zinc/92/49/99/1040924999.db2.gz UXDQCWSGAKUBGT-UKRRQHHQSA-N 1 0 344.411 4.030 20 5 EIBDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000537964306 1040938655 /nfs/dbraw/zinc/93/86/55/1040938655.db2.gz MHUGJNGAIYZIIC-BIENJYKASA-N 1 0 344.411 4.030 20 5 EIBDRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537976859 1040947172 /nfs/dbraw/zinc/94/71/72/1040947172.db2.gz LRRHFQHZABNWOA-YOEHRIQHSA-N 1 0 326.396 4.304 20 5 EIBDRO Cc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000483687092 1040962322 /nfs/dbraw/zinc/96/23/22/1040962322.db2.gz RNEJAKPXWSDUFW-BEVDRBHNSA-N 1 0 340.423 4.474 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000537991387 1040969615 /nfs/dbraw/zinc/96/96/15/1040969615.db2.gz NDJPWVPQFVBUIE-ZIAGYGMSSA-N 1 0 344.411 4.414 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000540159610 1041190478 /nfs/dbraw/zinc/19/04/78/1041190478.db2.gz AXQQMJLIGDZHHP-AAEUAGOBSA-N 1 0 328.359 4.222 20 5 EIBDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000540149614 1041199973 /nfs/dbraw/zinc/19/99/73/1041199973.db2.gz UHTIGFUZWDPAGC-GFCCVEGCSA-N 1 0 332.350 4.255 20 5 EIBDRO CCOC(C)(C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000436413274 1041217133 /nfs/dbraw/zinc/21/71/33/1041217133.db2.gz NOHSOJKFRLYMNR-UHFFFAOYSA-N 1 0 334.441 4.228 20 5 EIBDRO COc1cccc(C[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000540173404 1041219308 /nfs/dbraw/zinc/21/93/08/1041219308.db2.gz DKWVWQLENARAKM-ZFWWWQNUSA-N 1 0 328.412 4.194 20 5 EIBDRO CCC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001167960834 1041260287 /nfs/dbraw/zinc/26/02/87/1041260287.db2.gz XAINOTYAJUDNHM-LBPRGKRZSA-N 1 0 341.249 4.369 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000538406206 1041303959 /nfs/dbraw/zinc/30/39/59/1041303959.db2.gz SQAVKPBECWYAJK-VFVRVIDISA-N 1 0 332.375 4.161 20 5 EIBDRO Cc1ccc(OC2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000554726517 1041352546 /nfs/dbraw/zinc/35/25/46/1041352546.db2.gz BLIKDKSBRBLVOM-UHFFFAOYSA-N 1 0 340.423 4.255 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccncc2CC)cc1[N+](=O)[O-] ZINC000540315381 1041361876 /nfs/dbraw/zinc/36/18/76/1041361876.db2.gz DVJMEHRZUCPRLH-ZIAGYGMSSA-N 1 0 343.427 4.363 20 5 EIBDRO CCCCn1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c(C)n1 ZINC000540319639 1041367148 /nfs/dbraw/zinc/36/71/48/1041367148.db2.gz DLKNBPFIMXDSRQ-HNNXBMFYSA-N 1 0 330.432 4.059 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1(c2ccccc2F)CC1 ZINC000538552431 1041417863 /nfs/dbraw/zinc/41/78/63/1041417863.db2.gz PXOPWPURNMLXFK-AWEZNQCLSA-N 1 0 328.387 4.334 20 5 EIBDRO CC(C)c1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000538720824 1041493953 /nfs/dbraw/zinc/49/39/53/1041493953.db2.gz XZDMDNLDTHRVCG-GOSISDBHSA-N 1 0 345.487 4.169 20 5 EIBDRO CC[C@@]1(C)CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000538736703 1041507874 /nfs/dbraw/zinc/50/78/74/1041507874.db2.gz XXKXDHZZEHNHMR-IBGZPJMESA-N 1 0 342.443 4.007 20 5 EIBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000120695900 1041521778 /nfs/dbraw/zinc/52/17/78/1041521778.db2.gz POTYTFUHWHDZFX-ZIAGYGMSSA-N 1 0 341.411 4.273 20 5 EIBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)(C)C ZINC000463371547 1041527603 /nfs/dbraw/zinc/52/76/03/1041527603.db2.gz QBOQYKUBCIMJSJ-UHFFFAOYSA-N 1 0 331.416 4.160 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540605427 1041557836 /nfs/dbraw/zinc/55/78/36/1041557836.db2.gz FRMIKZUHCMLIIB-NJSLBKSFSA-N 1 0 346.402 4.469 20 5 EIBDRO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000463734833 1041725905 /nfs/dbraw/zinc/72/59/05/1041725905.db2.gz YHKXKUMAAQWVDI-SNVBAGLBSA-N 1 0 328.290 4.285 20 5 EIBDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541069879 1041803448 /nfs/dbraw/zinc/80/34/48/1041803448.db2.gz SWGHBKOCGUDKOQ-GFCCVEGCSA-N 1 0 334.803 4.017 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C(C)(C)O1 ZINC000517216026 1041907992 /nfs/dbraw/zinc/90/79/92/1041907992.db2.gz QTKKPEKWXSDGMP-CYBMUJFWSA-N 1 0 346.349 4.049 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC2CC(F)(F)C2)c2ccccc2)c1 ZINC000425939275 1042010583 /nfs/dbraw/zinc/01/05/83/1042010583.db2.gz BYSLMPPGXKFPDN-KRWDZBQOSA-N 1 0 332.350 4.319 20 5 EIBDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000506178216 1042059617 /nfs/dbraw/zinc/05/96/17/1042059617.db2.gz IRDPFZZAMHZLDR-KBXCAEBGSA-N 1 0 342.443 4.006 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000609135084 1042084139 /nfs/dbraw/zinc/08/41/39/1042084139.db2.gz ZKTIMDXDDLYDNW-LJQANCHMSA-N 1 0 325.412 4.401 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]CCCCOc1ccccc1 ZINC000437786361 1042117206 /nfs/dbraw/zinc/11/72/06/1042117206.db2.gz BZDJFYCKYIRQAC-UHFFFAOYSA-N 1 0 348.830 4.240 20 5 EIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464760362 1042153333 /nfs/dbraw/zinc/15/33/33/1042153333.db2.gz GEWCYHOFBZIBBQ-AWEZNQCLSA-N 1 0 346.427 4.348 20 5 EIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464760363 1042153628 /nfs/dbraw/zinc/15/36/28/1042153628.db2.gz GEWCYHOFBZIBBQ-CQSZACIVSA-N 1 0 346.427 4.348 20 5 EIBDRO C[C@@H](c1ccccc1F)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464777502 1042158268 /nfs/dbraw/zinc/15/82/68/1042158268.db2.gz QGVFJJFYTZYQKR-AWEZNQCLSA-N 1 0 344.386 4.338 20 5 EIBDRO CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000464790967 1042169643 /nfs/dbraw/zinc/16/96/43/1042169643.db2.gz FKSKVMMXKWFXEU-INIZCTEOSA-N 1 0 336.432 4.495 20 5 EIBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1F ZINC000090217419 1042184310 /nfs/dbraw/zinc/18/43/10/1042184310.db2.gz FEPAXHIXGDREJW-QWHCGFSZSA-N 1 0 332.375 4.463 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)cc1 ZINC000518015249 1042314023 /nfs/dbraw/zinc/31/40/23/1042314023.db2.gz PIRLAZJMLIRGQG-HNNXBMFYSA-N 1 0 338.329 4.106 20 5 EIBDRO CC(C)CCc1nc(CN[C@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000271775897 1042364792 /nfs/dbraw/zinc/36/47/92/1042364792.db2.gz RJBGHTHBHHZDQO-CYBMUJFWSA-N 1 0 333.457 4.491 20 5 EIBDRO COc1cc(C[NH2+]C(C)(C)c2ccccc2C)c([N+](=O)[O-])cc1F ZINC000549868131 1042453582 /nfs/dbraw/zinc/45/35/82/1042453582.db2.gz OKNJOADSTVLXRU-UHFFFAOYSA-N 1 0 332.375 4.076 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H]3CC=CCC3)o2)c([N+](=O)[O-])c1 ZINC000518276714 1042454610 /nfs/dbraw/zinc/45/46/10/1042454610.db2.gz LFEJPGFMXDKPKE-AWEZNQCLSA-N 1 0 342.395 4.309 20 5 EIBDRO CC[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000426307464 1042546972 /nfs/dbraw/zinc/54/69/72/1042546972.db2.gz REAZJCOSJKKMKU-YJBOKZPZSA-N 1 0 343.402 4.054 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000426342704 1042576360 /nfs/dbraw/zinc/57/63/60/1042576360.db2.gz NFWUPJIKJCCULD-LXIYXOSZSA-N 1 0 346.452 4.318 20 5 EIBDRO Cc1c(C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000484346773 1042615553 /nfs/dbraw/zinc/61/55/53/1042615553.db2.gz ZMHYPPVQELDQKH-CQSZACIVSA-N 1 0 330.350 4.314 20 5 EIBDRO CC(C)([NH2+]Cc1cc2c(cccc2F)[nH]1)c1ccccc1[N+](=O)[O-] ZINC000492373335 1042632534 /nfs/dbraw/zinc/63/25/34/1042632534.db2.gz DYZYIQYDCHYTPE-UHFFFAOYSA-N 1 0 327.359 4.240 20 5 EIBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCS1 ZINC000426391428 1042634939 /nfs/dbraw/zinc/63/49/39/1042634939.db2.gz QWZAWUDEVANSRZ-CYBMUJFWSA-N 1 0 332.425 4.182 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1csc2ccccc12 ZINC000509608506 1042688430 /nfs/dbraw/zinc/68/84/30/1042688430.db2.gz MBFBAFVTQDVKCN-UHFFFAOYSA-N 1 0 342.420 4.498 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1cccc(Cl)c1 ZINC000492839352 1042760764 /nfs/dbraw/zinc/76/07/64/1042760764.db2.gz ZHOPNYSRSWVMEE-OAHLLOKOSA-N 1 0 334.803 4.498 20 5 EIBDRO COc1cc(C[NH2+]C2(c3ccccc3)CCCC2)ccc1[N+](=O)[O-] ZINC000492852708 1042761679 /nfs/dbraw/zinc/76/16/79/1042761679.db2.gz ORHNTNVTGWLEBN-UHFFFAOYSA-N 1 0 326.396 4.163 20 5 EIBDRO COc1cc(C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)ccc1[N+](=O)[O-] ZINC000492909647 1042764489 /nfs/dbraw/zinc/76/44/89/1042764489.db2.gz FHPHVQFVPIWYGR-AWEZNQCLSA-N 1 0 344.411 4.241 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000441491060 1042840656 /nfs/dbraw/zinc/84/06/56/1042840656.db2.gz MRZCYMVVHIRTCB-ROUUACIJSA-N 1 0 345.487 4.244 20 5 EIBDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000141468063 1042873988 /nfs/dbraw/zinc/87/39/88/1042873988.db2.gz MEHAXFIXTMGIHW-HNNXBMFYSA-N 1 0 344.415 4.045 20 5 EIBDRO COc1ccccc1C1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761524210 1042874705 /nfs/dbraw/zinc/87/47/05/1042874705.db2.gz YPUQJVRSQIQFBI-UHFFFAOYSA-N 1 0 346.814 4.078 20 5 EIBDRO CCOCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCC1 ZINC000761528042 1042875755 /nfs/dbraw/zinc/87/57/55/1042875755.db2.gz XVHIXISNJYRWDL-UHFFFAOYSA-N 1 0 340.851 4.325 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOc2ccccc2Cl)cc1Cl ZINC000761527572 1042876035 /nfs/dbraw/zinc/87/60/35/1042876035.db2.gz KBYORLUKIZHBDY-UHFFFAOYSA-N 1 0 341.194 4.070 20 5 EIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000493634702 1042941154 /nfs/dbraw/zinc/94/11/54/1042941154.db2.gz KFPGPJXQWISWAT-HZPDHXFCSA-N 1 0 347.459 4.036 20 5 EIBDRO CC1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000493984366 1043003041 /nfs/dbraw/zinc/00/30/41/1043003041.db2.gz RWSMORHAEFMRSS-IBGZPJMESA-N 1 0 340.423 4.091 20 5 EIBDRO CCOc1cc(Cl)ccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000507851780 1043154768 /nfs/dbraw/zinc/15/47/68/1043154768.db2.gz LDUZLCAWBJCCOS-GFCCVEGCSA-N 1 0 334.803 4.498 20 5 EIBDRO CCC[C@@H]([NH2+][C@H]1CCCc2nc(C)ncc21)c1cccc([N+](=O)[O-])c1 ZINC000766045161 1043221545 /nfs/dbraw/zinc/22/15/45/1043221545.db2.gz RUERLENMLHFOFD-MJGOQNOKSA-N 1 0 340.427 4.202 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCOc3ccccc32)cccc1[N+](=O)[O-] ZINC000133566286 1043275891 /nfs/dbraw/zinc/27/58/91/1043275891.db2.gz VMQSHLHFIOKXEL-WMLDXEAASA-N 1 0 326.396 4.468 20 5 EIBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000301746961 1043308300 /nfs/dbraw/zinc/30/83/00/1043308300.db2.gz QMUBCKOGIHXYEW-UHFFFAOYSA-N 1 0 348.834 4.096 20 5 EIBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000219076332 1043366752 /nfs/dbraw/zinc/36/67/52/1043366752.db2.gz FYYAEWMWKNBEFH-AWEZNQCLSA-N 1 0 330.432 4.065 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](CCCCC2CCOCC2)C2CC2)cc1 ZINC000499598185 1043385814 /nfs/dbraw/zinc/38/58/14/1043385814.db2.gz FEQZAQOEJXXRGO-UHFFFAOYSA-N 1 0 332.444 4.156 20 5 EIBDRO O=[N+]([O-])c1ccc(OCCC[NH2+]C2(c3ccc(F)cc3)CCC2)cc1 ZINC000609194269 1043446941 /nfs/dbraw/zinc/44/69/41/1043446941.db2.gz LHQJQYBKJYBLOM-UHFFFAOYSA-N 1 0 344.386 4.172 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000520958155 1043450625 /nfs/dbraw/zinc/45/06/25/1043450625.db2.gz GHKGQLAIUXHDHN-CYBMUJFWSA-N 1 0 332.375 4.026 20 5 EIBDRO COc1ccc(C[NH2+]C2(c3ccccc3)CCCC2)cc1[N+](=O)[O-] ZINC000113958353 1043461450 /nfs/dbraw/zinc/46/14/50/1043461450.db2.gz STTDWWYOWXUALQ-UHFFFAOYSA-N 1 0 326.396 4.163 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@H]2C2CC2)cc(C(F)(F)F)c1 ZINC000494511106 1043528230 /nfs/dbraw/zinc/52/82/30/1043528230.db2.gz NPBMBDWCIFTZIL-LSDHHAIUSA-N 1 0 328.334 4.282 20 5 EIBDRO CCC[N@H+](Cc1ccc(F)cc1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000521195662 1043644464 /nfs/dbraw/zinc/64/44/64/1043644464.db2.gz NCHGYOCJUSTNJL-UHFFFAOYSA-N 1 0 332.375 4.155 20 5 EIBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)c1ccccc1 ZINC000521220911 1043656133 /nfs/dbraw/zinc/65/61/33/1043656133.db2.gz VKZAITMXFDDUOH-INIZCTEOSA-N 1 0 328.412 4.113 20 5 EIBDRO COc1ccc(C[N@H+](Cc2ccc(Cl)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000521383368 1043740978 /nfs/dbraw/zinc/74/09/78/1043740978.db2.gz JMNGYUAQOHZKDO-UHFFFAOYSA-N 1 0 346.814 4.421 20 5 EIBDRO CO[C@@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000429237141 1043835200 /nfs/dbraw/zinc/83/52/00/1043835200.db2.gz KCCGQKDNOVAWSQ-KRWDZBQOSA-N 1 0 348.830 4.461 20 5 EIBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000442880182 1043879809 /nfs/dbraw/zinc/87/98/09/1043879809.db2.gz LCSDRUVJWXRHMF-CYBMUJFWSA-N 1 0 326.352 4.071 20 5 EIBDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173326708 1043894824 /nfs/dbraw/zinc/89/48/24/1043894824.db2.gz OIEJSCUSKNXTMQ-CQSZACIVSA-N 1 0 341.411 4.184 20 5 EIBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000521840189 1044031975 /nfs/dbraw/zinc/03/19/75/1044031975.db2.gz FPESZFHFUHGFJC-INIZCTEOSA-N 1 0 340.423 4.374 20 5 EIBDRO C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000245876355 1044199120 /nfs/dbraw/zinc/19/91/20/1044199120.db2.gz AONIDROQAIQFMO-BAAGSCJXSA-N 1 0 340.423 4.230 20 5 EIBDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000543247894 1044236318 /nfs/dbraw/zinc/23/63/18/1044236318.db2.gz ZBBBNNHVMVEGEX-CQSZACIVSA-N 1 0 329.400 4.118 20 5 EIBDRO CC[C@H]([NH2+]CCc1ccc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000542501302 1044241161 /nfs/dbraw/zinc/24/11/61/1044241161.db2.gz UVHWGGDGUKBRGM-HNNXBMFYSA-N 1 0 338.329 4.296 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc1 ZINC000474048121 1044297837 /nfs/dbraw/zinc/29/78/37/1044297837.db2.gz WFHRKQQLCHCERL-DFQSSKMNSA-N 1 0 346.471 4.102 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000466349063 1044305495 /nfs/dbraw/zinc/30/54/95/1044305495.db2.gz YVRUFQINQJEFMS-DZJNRPSUSA-N 1 0 332.444 4.149 20 5 EIBDRO O=[N+]([O-])c1ccsc1NCc1ccccc1C[NH+]1CCCCC1 ZINC000301941917 1044312097 /nfs/dbraw/zinc/31/20/97/1044312097.db2.gz WKCDOBFGLDBEAG-UHFFFAOYSA-N 1 0 331.441 4.254 20 5 EIBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466357932 1044318881 /nfs/dbraw/zinc/31/88/81/1044318881.db2.gz ZQUSLKPFKJUCCR-UHFFFAOYSA-N 1 0 330.350 4.096 20 5 EIBDRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000466420410 1044442525 /nfs/dbraw/zinc/44/25/25/1044442525.db2.gz AMFKUIGAAKFHCF-OCCSQVGLSA-N 1 0 331.441 4.244 20 5 EIBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494970648 1044551566 /nfs/dbraw/zinc/55/15/66/1044551566.db2.gz OQFMAGIQOBBCDX-RLLQIKCJSA-N 1 0 340.423 4.089 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3ccc(Br)cc32)cc1 ZINC000193159939 1044656297 /nfs/dbraw/zinc/65/62/97/1044656297.db2.gz CFMWQUVEPINMBS-MRXNPFEDSA-N 1 0 347.212 4.134 20 5 EIBDRO CC(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](C)c1ccccc1 ZINC000428853307 1044720889 /nfs/dbraw/zinc/72/08/89/1044720889.db2.gz WNZJLUJRCNXNQA-CQSZACIVSA-N 1 0 338.411 4.443 20 5 EIBDRO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000154037803 1044721779 /nfs/dbraw/zinc/72/17/79/1044721779.db2.gz YIWHPRVPRJDNMM-MAUKXSAKSA-N 1 0 343.427 4.066 20 5 EIBDRO CC(C)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000428865825 1044774544 /nfs/dbraw/zinc/77/45/44/1044774544.db2.gz HJQMFAUVGFKQQT-HNNXBMFYSA-N 1 0 341.411 4.005 20 5 EIBDRO CC(=O)c1cc(NC2CCC(C)([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000895527571 1044799715 /nfs/dbraw/zinc/79/97/15/1044799715.db2.gz QOWNKUZOKMJOPS-UHFFFAOYSA-N 1 0 345.443 4.006 20 5 EIBDRO COc1ccc([C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)cc1 ZINC000735490932 1044823692 /nfs/dbraw/zinc/82/36/92/1044823692.db2.gz WADYKRHVKKPNNT-CQSZACIVSA-N 1 0 346.814 4.246 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@H](c3ccccn3)C3CC3)o2)cc1 ZINC000922586998 1044832002 /nfs/dbraw/zinc/83/20/02/1044832002.db2.gz VFYHLDSWJWJMLK-FQEVSTJZSA-N 1 0 349.390 4.491 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000508006890 1044838621 /nfs/dbraw/zinc/83/86/21/1044838621.db2.gz AFDMOJKPVICEAO-SOFGYWHQSA-N 1 0 338.407 4.151 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC000716233015 1044853392 /nfs/dbraw/zinc/85/33/92/1044853392.db2.gz TYZRNLKQBIXQFC-VQIMIIECSA-N 1 0 339.439 4.226 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]CCCOCc2ccccc2)cc1[N+](=O)[O-] ZINC000390256787 1044864914 /nfs/dbraw/zinc/86/49/14/1044864914.db2.gz XAOYTWYBVWYRDF-MRXNPFEDSA-N 1 0 328.412 4.161 20 5 EIBDRO COc1cccc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000495369802 1044996428 /nfs/dbraw/zinc/99/64/28/1044996428.db2.gz WQUIGXLTCNWJPT-GFCCVEGCSA-N 1 0 334.803 4.150 20 5 EIBDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000555735238 1045091707 /nfs/dbraw/zinc/09/17/07/1045091707.db2.gz HLMHEXAGFPLSCJ-GOSISDBHSA-N 1 0 340.423 4.201 20 5 EIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)COC2 ZINC000495440317 1045118672 /nfs/dbraw/zinc/11/86/72/1045118672.db2.gz RBAHEWVJXKCJIP-GFCCVEGCSA-N 1 0 346.814 4.172 20 5 EIBDRO C[C@H]1C[C@@H](Nc2sccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000302032192 1045156935 /nfs/dbraw/zinc/15/69/35/1045156935.db2.gz SMYYEOQBLLEENJ-ZFWWWQNUSA-N 1 0 331.441 4.121 20 5 EIBDRO COc1cc2c(cc1F)CC[C@H]2[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000509434137 1045160176 /nfs/dbraw/zinc/16/01/76/1045160176.db2.gz ZURSDNFYHYGSFF-UKINESCASA-N 1 0 342.370 4.033 20 5 EIBDRO C[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000611081090 1045249180 /nfs/dbraw/zinc/24/91/80/1045249180.db2.gz NQTPDBUAGJISAX-AYBZRNKSSA-N 1 0 339.439 4.094 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@H](c4ccco4)C3)o2)c1 ZINC000611271314 1045270652 /nfs/dbraw/zinc/27/06/52/1045270652.db2.gz PNPYNGGAGISSHQ-HNNXBMFYSA-N 1 0 338.363 4.437 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cnccc2C)cc1[N+](=O)[O-] ZINC000611299975 1045278383 /nfs/dbraw/zinc/27/83/83/1045278383.db2.gz WQAQYKLSGXFCML-KBPBESRZSA-N 1 0 329.400 4.109 20 5 EIBDRO CC(C)(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1CCCCO1 ZINC000611336745 1045283305 /nfs/dbraw/zinc/28/33/05/1045283305.db2.gz AUYFIYMUNWZMMI-HKUYNNGSSA-N 1 0 346.471 4.101 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cc2c(c(Cl)c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000611336989 1045283877 /nfs/dbraw/zinc/28/38/77/1045283877.db2.gz AGMTWAOYZZLOHD-OAHLLOKOSA-N 1 0 348.786 4.218 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000611336768 1045284117 /nfs/dbraw/zinc/28/41/17/1045284117.db2.gz DUXWIKJNNHSHRW-MAUKXSAKSA-N 1 0 334.460 4.101 20 5 EIBDRO O=[N+]([O-])c1ccsc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000611411937 1045303585 /nfs/dbraw/zinc/30/35/85/1045303585.db2.gz HMRGSIINCJGGNI-MQVJKMGUSA-N 1 0 343.452 4.264 20 5 EIBDRO C[C@@H]([NH2+]C1(CCOCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000611477025 1045315179 /nfs/dbraw/zinc/31/51/79/1045315179.db2.gz LZPJCVDYEPNMNG-MRXNPFEDSA-N 1 0 340.423 4.385 20 5 EIBDRO C[C@H]1CCC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000237688247 1045392579 /nfs/dbraw/zinc/39/25/79/1045392579.db2.gz OPJQZROKDCSXOM-GXTWGEPZSA-N 1 0 331.441 4.387 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000193901035 1045540094 /nfs/dbraw/zinc/54/00/94/1045540094.db2.gz NZUTWVBFKCUORS-STQMWFEESA-N 1 0 330.384 4.024 20 5 EIBDRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000193901621 1045541271 /nfs/dbraw/zinc/54/12/71/1045541271.db2.gz WVBYCGWVTOBQKV-ORAYPTAESA-N 1 0 326.396 4.332 20 5 EIBDRO CCC[C@@H]([NH2+][C@@H](CCOC)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000272595571 1045595054 /nfs/dbraw/zinc/59/50/54/1045595054.db2.gz SQJOZBICARCAMD-SJORKVTESA-N 1 0 332.400 4.396 20 5 EIBDRO Cc1ccc(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000533579695 1045605655 /nfs/dbraw/zinc/60/56/55/1045605655.db2.gz DCTPSPYTEIOLPV-QAPCUYQASA-N 1 0 328.412 4.040 20 5 EIBDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000326244878 1045737879 /nfs/dbraw/zinc/73/78/79/1045737879.db2.gz YWCXBVIWFDMJBH-GOSISDBHSA-N 1 0 326.396 4.079 20 5 EIBDRO C[N@H+](CC(=O)N1CCCC1)Cc1c2ccccc2cc2ccccc21 ZINC000768215365 1045755645 /nfs/dbraw/zinc/75/56/45/1045755645.db2.gz SZXKZEPYIGKURH-UHFFFAOYSA-N 1 0 332.447 4.047 20 5 EIBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000768548859 1045822789 /nfs/dbraw/zinc/82/27/89/1045822789.db2.gz ILAXJXXZGYKKJD-STQMWFEESA-N 1 0 328.865 4.354 20 5 EIBDRO C[C@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000301121215 1045895744 /nfs/dbraw/zinc/89/57/44/1045895744.db2.gz WZCSVLRDITUBKI-HNNXBMFYSA-N 1 0 342.443 4.067 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000237365784 1045902740 /nfs/dbraw/zinc/90/27/40/1045902740.db2.gz SAKPKOICGZUWGB-HNNXBMFYSA-N 1 0 332.787 4.034 20 5 EIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCC2(CCCCCC2)O1 ZINC001170194378 1045933950 /nfs/dbraw/zinc/93/39/50/1045933950.db2.gz MKWPFHMWNPTNON-SFHVURJKSA-N 1 0 346.471 4.341 20 5 EIBDRO CSC[C@](C)(O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000237370735 1045934927 /nfs/dbraw/zinc/93/49/27/1045934927.db2.gz MXOKYPDFBFKVSI-HXUWFJFHSA-N 1 0 325.477 4.197 20 5 EIBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1cccc(F)c1[N+](=O)[O-] ZINC000301139147 1045946688 /nfs/dbraw/zinc/94/66/88/1045946688.db2.gz GEBDBJLAVGYOPK-UHFFFAOYSA-N 1 0 331.391 4.186 20 5 EIBDRO CC(C)[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCC1 ZINC000769469586 1045984771 /nfs/dbraw/zinc/98/47/71/1045984771.db2.gz ANWQHDGIRRSVRS-UHFFFAOYSA-N 1 0 327.222 4.120 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1ccncc1 ZINC001170317253 1045995876 /nfs/dbraw/zinc/99/58/76/1045995876.db2.gz DGSAIXQHVMPADA-KDOFPFPSSA-N 1 0 343.427 4.060 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]C(C)(C)c2ccccc2C)c([N+](=O)[O-])c1 ZINC001170325275 1045999549 /nfs/dbraw/zinc/99/95/49/1045999549.db2.gz SYIWRLDOUSXANG-OAHLLOKOSA-N 1 0 342.439 4.368 20 5 EIBDRO COc1ccc(C[C@@H](C)[N@H+]2Cc3ccccc3[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170329599 1046001179 /nfs/dbraw/zinc/00/11/79/1046001179.db2.gz SBAYMLUSJUNZFY-LSDHHAIUSA-N 1 0 340.423 4.154 20 5 EIBDRO COc1ccc(C[C@H](C)[N@H+](Cc2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC001170353392 1046012084 /nfs/dbraw/zinc/01/20/84/1046012084.db2.gz XRAOUSIKHSFEEM-HNNXBMFYSA-N 1 0 340.423 4.199 20 5 EIBDRO COc1ccc(C[C@H](C)[N@H+](C)Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC001170346382 1046021657 /nfs/dbraw/zinc/02/16/57/1046021657.db2.gz NLLOVJXNIJFKLR-ZDUSSCGKSA-N 1 0 348.830 4.320 20 5 EIBDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000152468468 1046063413 /nfs/dbraw/zinc/06/34/13/1046063413.db2.gz OSACKKDAZWMALD-OAHLLOKOSA-N 1 0 331.441 4.123 20 5 EIBDRO Cc1c(C[NH2+]Cc2ccc(C(F)(F)F)s2)cccc1[N+](=O)[O-] ZINC000428575729 1046066354 /nfs/dbraw/zinc/06/63/54/1046066354.db2.gz UUUOVCUZVJTOHR-UHFFFAOYSA-N 1 0 330.331 4.273 20 5 EIBDRO C[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@]2(CCOC2)O1 ZINC000793362877 1046214691 /nfs/dbraw/zinc/21/46/91/1046214691.db2.gz OYVDDAGPTQSERQ-HXOBKFHXSA-N 1 0 347.458 4.373 20 5 EIBDRO C[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000793362874 1046215060 /nfs/dbraw/zinc/21/50/60/1046215060.db2.gz OYVDDAGPTQSERQ-GAJHUEQPSA-N 1 0 347.458 4.373 20 5 EIBDRO COc1cccc(C[C@@H](C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000497326338 1046604492 /nfs/dbraw/zinc/60/44/92/1046604492.db2.gz SJCNOFUKLPLTQZ-OAHLLOKOSA-N 1 0 342.439 4.448 20 5 EIBDRO CC(C)OC1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000536647093 1046612112 /nfs/dbraw/zinc/61/21/12/1046612112.db2.gz IHRXCXPMTLEPOS-UHFFFAOYSA-N 1 0 344.411 4.244 20 5 EIBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000536669398 1046618259 /nfs/dbraw/zinc/61/82/59/1046618259.db2.gz BBCSBTCDRCCQQG-IUODEOHRSA-N 1 0 331.441 4.339 20 5 EIBDRO C[C@@H](Nc1cccc(CC[NH+]2CCCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000536699438 1046697482 /nfs/dbraw/zinc/69/74/82/1046697482.db2.gz DTNALMFILCKHKO-MRXNPFEDSA-N 1 0 339.439 4.406 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2c3ccccc3cc3ccccc32)c(=O)n1C ZINC000785520489 1046702225 /nfs/dbraw/zinc/70/22/25/1046702225.db2.gz DEIQNFOHFWFPPX-UHFFFAOYSA-N 1 0 342.442 4.290 20 5 EIBDRO CC1(C)CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000785568425 1046720394 /nfs/dbraw/zinc/72/03/94/1046720394.db2.gz MUUCLDWTWORCSG-INIZCTEOSA-N 1 0 331.460 4.122 20 5 EIBDRO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000536842303 1046814690 /nfs/dbraw/zinc/81/46/90/1046814690.db2.gz XTYDISDCPIINPH-GJZGRUSLSA-N 1 0 328.412 4.133 20 5 EIBDRO COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000536842304 1046814815 /nfs/dbraw/zinc/81/48/15/1046814815.db2.gz XTYDISDCPIINPH-HUUCEWRRSA-N 1 0 328.412 4.133 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000536840196 1046815595 /nfs/dbraw/zinc/81/55/95/1046815595.db2.gz SIXXKSDXVVDYAX-DJJJIMSYSA-N 1 0 341.411 4.190 20 5 EIBDRO COc1cccc(OCCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000536870555 1046833335 /nfs/dbraw/zinc/83/33/35/1046833335.db2.gz NUSSNXMGOHNTJH-HNNXBMFYSA-N 1 0 344.411 4.032 20 5 EIBDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000536875180 1046837863 /nfs/dbraw/zinc/83/78/63/1046837863.db2.gz GIUPBQGQKLLOIF-ILXRZTDVSA-N 1 0 328.412 4.446 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000786820761 1046876072 /nfs/dbraw/zinc/87/60/72/1046876072.db2.gz KNLUKPGXDHVIFY-RVDMUPIBSA-N 1 0 340.423 4.015 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc(C[NH+](C)C)c(F)c1 ZINC000786816061 1046876117 /nfs/dbraw/zinc/87/61/17/1046876117.db2.gz ASNGEWLIBILOKR-ZROIWOOFSA-N 1 0 343.402 4.311 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000746669526 1046979507 /nfs/dbraw/zinc/97/95/07/1046979507.db2.gz DOJQWBFMMODKND-UHFFFAOYSA-N 1 0 346.814 4.044 20 5 EIBDRO COc1ccc([C@H]2CC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)cc1 ZINC000746667601 1046980334 /nfs/dbraw/zinc/98/03/34/1046980334.db2.gz ZBTICPFOSPMGEO-AWEZNQCLSA-N 1 0 346.814 4.246 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000787405583 1047006437 /nfs/dbraw/zinc/00/64/37/1047006437.db2.gz AFAHGEKKGMCPBY-UVTDQMKNSA-N 1 0 341.367 4.038 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)cc1F ZINC000788480030 1047198989 /nfs/dbraw/zinc/19/89/89/1047198989.db2.gz FYFRSSPQMQVIBA-HNNXBMFYSA-N 1 0 346.427 4.348 20 5 EIBDRO CC(C)Oc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788525926 1047228514 /nfs/dbraw/zinc/22/85/14/1047228514.db2.gz GTHMPSAUBICWIL-ZIAGYGMSSA-N 1 0 343.427 4.376 20 5 EIBDRO CC(C)COc1cccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788565943 1047234402 /nfs/dbraw/zinc/23/44/02/1047234402.db2.gz XDMLVFXGWSEFCA-CQSZACIVSA-N 1 0 343.427 4.063 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788649272 1047247487 /nfs/dbraw/zinc/24/74/87/1047247487.db2.gz RIOVPKYIICESMW-QLJPJBMISA-N 1 0 331.803 4.169 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C(C)C)[C@H](O)c1ccccc1 ZINC000788619666 1047252045 /nfs/dbraw/zinc/25/20/45/1047252045.db2.gz FGUVCLTZWWVAGE-CWFSZBLJSA-N 1 0 342.439 4.312 20 5 EIBDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000788624397 1047254393 /nfs/dbraw/zinc/25/43/93/1047254393.db2.gz YCINMHFSQQZSEN-JVPBZIDWSA-N 1 0 328.412 4.004 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1cncs1 ZINC000897933221 1047502867 /nfs/dbraw/zinc/50/28/67/1047502867.db2.gz UXOVXVCKKIOFHF-GUTXKFCHSA-N 1 0 331.441 4.113 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1cncs1 ZINC000897933223 1047503920 /nfs/dbraw/zinc/50/39/20/1047503920.db2.gz UXOVXVCKKIOFHF-KCQAQPDRSA-N 1 0 331.441 4.113 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000089513312 1047761226 /nfs/dbraw/zinc/76/12/26/1047761226.db2.gz PATISQSCBOXVJE-MRXNPFEDSA-N 1 0 332.787 4.252 20 5 EIBDRO OC[C@H]1[C@@H]2C[N@H+](Cc3c4ccccc4c(Cl)c4ccccc43)C[C@H]12 ZINC000814172240 1047866933 /nfs/dbraw/zinc/86/69/33/1047866933.db2.gz DVPRKXQRNHGOKO-PMOLBWCYSA-N 1 0 337.850 4.317 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000824773174 1047926837 /nfs/dbraw/zinc/92/68/37/1047926837.db2.gz JVLMHBXEIBMQJZ-RQWJFSOLSA-N 1 0 329.227 4.172 20 5 EIBDRO C/C=C/C=C/C(=O)n1c2ccc(OCC)cc2c(=[NH2+])c2ccc(N)cc21 ZINC001144002118 1048361537 /nfs/dbraw/zinc/36/15/37/1048361537.db2.gz OMQODYYJRQWWQK-FAPHBZIYSA-N 1 0 347.418 4.027 20 5 EIBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815587298 1048526205 /nfs/dbraw/zinc/52/62/05/1048526205.db2.gz GITDADVTFNRVNR-DMDPSCGWSA-N 1 0 345.365 4.196 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001170594250 1048584683 /nfs/dbraw/zinc/58/46/83/1048584683.db2.gz RZVSYCIPXREJKA-XJKSGUPXSA-N 1 0 346.814 4.463 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC000810170713 1048653752 /nfs/dbraw/zinc/65/37/52/1048653752.db2.gz RVCUMTQXEXXPNB-AEFFLSMTSA-N 1 0 346.814 4.258 20 5 EIBDRO COc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1F ZINC000064350391 1049052056 /nfs/dbraw/zinc/05/20/56/1049052056.db2.gz SWIRWBZAMZLLNK-UHFFFAOYSA-N 1 0 332.375 4.153 20 5 EIBDRO COc1ccc(C)cc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350279 1049052838 /nfs/dbraw/zinc/05/28/38/1049052838.db2.gz MLNPSQNVNDBFAJ-UHFFFAOYSA-N 1 0 328.412 4.322 20 5 EIBDRO CCOC1CC(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811492856 1049086286 /nfs/dbraw/zinc/08/62/86/1049086286.db2.gz BVZGFSAWLRPMGI-UHFFFAOYSA-N 1 0 347.242 4.196 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCSC(F)(F)F ZINC000811475156 1049096750 /nfs/dbraw/zinc/09/67/50/1049096750.db2.gz XAGVFLHYSMQQQV-UHFFFAOYSA-N 1 0 349.161 4.244 20 5 EIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCOC(C)(C)C1 ZINC000811511171 1049123418 /nfs/dbraw/zinc/12/34/18/1049123418.db2.gz DTFUIHZDUDHIAX-CYBMUJFWSA-N 1 0 326.824 4.028 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000609540679 1049146571 /nfs/dbraw/zinc/14/65/71/1049146571.db2.gz APEXOJGMONXBOF-UHFFFAOYSA-N 1 0 340.423 4.024 20 5 EIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)F)cc1 ZINC000195582095 1049152643 /nfs/dbraw/zinc/15/26/43/1049152643.db2.gz NBQBHQWDAYNURE-LBPRGKRZSA-N 1 0 336.338 4.090 20 5 EIBDRO COc1ccc(C[N@@H+]2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC001170638494 1049181593 /nfs/dbraw/zinc/18/15/93/1049181593.db2.gz JGHMKQBZRJTALB-RVKKMQEKSA-N 1 0 340.423 4.370 20 5 EIBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000609704316 1049275340 /nfs/dbraw/zinc/27/53/40/1049275340.db2.gz MMBWKNBOBLFBBO-CYBMUJFWSA-N 1 0 331.441 4.294 20 5 EIBDRO CCS[C@H]1CCCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609705131 1049277228 /nfs/dbraw/zinc/27/72/28/1049277228.db2.gz SCWFOWPLZAHRGY-AWEZNQCLSA-N 1 0 328.865 4.356 20 5 EIBDRO Cc1ccc([C@@H]2CSCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000609706106 1049279846 /nfs/dbraw/zinc/27/98/46/1049279846.db2.gz XNZVCWFXJPGJCP-IBGZPJMESA-N 1 0 342.464 4.236 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000609916183 1049393730 /nfs/dbraw/zinc/39/37/30/1049393730.db2.gz DKVNTJKHNYSCQV-GOEBONIOSA-N 1 0 328.387 4.360 20 5 EIBDRO COc1ccc(C[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H](C)C2CC2)cc1 ZINC000064641554 1049399715 /nfs/dbraw/zinc/39/97/15/1049399715.db2.gz KMZQELRVKXFSHA-ZDUSSCGKSA-N 1 0 346.452 4.466 20 5 EIBDRO CC(C)[NH+](CCCNc1ccc([N+](=O)[O-])c2cnccc12)C(C)C ZINC000348164182 1049458163 /nfs/dbraw/zinc/45/81/63/1049458163.db2.gz BFRQMDZXHHURAE-UHFFFAOYSA-N 1 0 330.432 4.064 20 5 EIBDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000610001879 1049468639 /nfs/dbraw/zinc/46/86/39/1049468639.db2.gz JKFCKLTXDCFMEE-LSDHHAIUSA-N 1 0 328.387 4.420 20 5 EIBDRO CCc1ccc([C@@H]2CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)cc1 ZINC001170684208 1049545498 /nfs/dbraw/zinc/54/54/98/1049545498.db2.gz VUXOHSDSLZQTKG-MRXNPFEDSA-N 1 0 328.387 4.286 20 5 EIBDRO COc1ccc(C)cc1[C@H](C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC001170966591 1049642964 /nfs/dbraw/zinc/64/29/64/1049642964.db2.gz ACCPKKSWQVBFQY-HNNXBMFYSA-N 1 0 344.411 4.032 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001171538549 1049735369 /nfs/dbraw/zinc/73/53/69/1049735369.db2.gz MOWJOZBKUMIJGY-YJBOKZPZSA-N 1 0 326.396 4.118 20 5 EIBDRO COc1cc(C[N@@H+]2CCC[C@H]2CC2CCCC2)c([N+](=O)[O-])cc1F ZINC001171630680 1049762714 /nfs/dbraw/zinc/76/27/14/1049762714.db2.gz CYZLNTAQQBAMOE-HNNXBMFYSA-N 1 0 336.407 4.287 20 5 EIBDRO Cc1c(C[NH2+]Cc2c(Cl)ccc3cccnc32)cccc1[N+](=O)[O-] ZINC000616482598 1049894624 /nfs/dbraw/zinc/89/46/24/1049894624.db2.gz FBOPCXMUABZPSE-UHFFFAOYSA-N 1 0 341.798 4.395 20 5 EIBDRO Cn1ccc2cc(C[NH2+][C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)ccc21 ZINC001172897203 1050200670 /nfs/dbraw/zinc/20/06/70/1050200670.db2.gz XYQOOGOXANYRDN-IBGZPJMESA-N 1 0 349.434 4.124 20 5 EIBDRO [NH3+]Cc1ccc2c(ccn2[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172897137 1050201066 /nfs/dbraw/zinc/20/10/66/1050201066.db2.gz XMPCRFFEQJCKTC-GOSISDBHSA-N 1 0 335.407 4.128 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(Cl)s1)CC2 ZINC001172899574 1050203162 /nfs/dbraw/zinc/20/31/62/1050203162.db2.gz OFIAFZJYADHCCY-CYBMUJFWSA-N 1 0 336.844 4.347 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc3occc3c1)CC2 ZINC001172901087 1050204527 /nfs/dbraw/zinc/20/45/27/1050204527.db2.gz JIVKZMMJUNWXPN-GOSISDBHSA-N 1 0 336.391 4.378 20 5 EIBDRO COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900476 1050205039 /nfs/dbraw/zinc/20/50/39/1050205039.db2.gz UDJYDYBWOTWSTG-RHSMWYFYSA-N 1 0 340.423 4.202 20 5 EIBDRO CC[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccc(C)o1 ZINC001172903709 1050205863 /nfs/dbraw/zinc/20/58/63/1050205863.db2.gz SPRFMOQZZDZUSM-FUHWJXTLSA-N 1 0 328.412 4.485 20 5 EIBDRO Cc1cc2cc(C[NH3+])ccc2n1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896203 1050231228 /nfs/dbraw/zinc/23/12/28/1050231228.db2.gz NEZRDECGGIBGPS-LJQANCHMSA-N 1 0 349.434 4.437 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccc(F)c(F)c1 ZINC001172913871 1050232173 /nfs/dbraw/zinc/23/21/73/1050232173.db2.gz ZYPTXNBYPPXFTB-WBMJQRKESA-N 1 0 346.377 4.471 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@H]1c1ccncc1)CC2 ZINC001172915584 1050232186 /nfs/dbraw/zinc/23/21/86/1050232186.db2.gz PERJPAJYUCGKQJ-ICSRJNTNSA-N 1 0 337.423 4.074 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCc3ccc(F)cc3C1)CC2 ZINC001172914816 1050232265 /nfs/dbraw/zinc/23/22/65/1050232265.db2.gz JLGCVWJYVSAUKC-LJQANCHMSA-N 1 0 340.398 4.040 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCc3c(F)cccc3C1)CC2 ZINC001172920567 1050233611 /nfs/dbraw/zinc/23/36/11/1050233611.db2.gz KRNYUVKONAQCEJ-QGZVFWFLSA-N 1 0 340.398 4.040 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1C[C@H]1c1ccc(F)cc1)CC2 ZINC001172913099 1050249246 /nfs/dbraw/zinc/24/92/46/1050249246.db2.gz TYQRVMBPOBPCRO-YSIASYRMSA-N 1 0 340.398 4.127 20 5 EIBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001186368206 1050301325 /nfs/dbraw/zinc/30/13/25/1050301325.db2.gz PAKDWZIRDHMMDT-AWEZNQCLSA-N 1 0 345.365 4.146 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C)c2cccc(C)c2)c1F ZINC001173180921 1050336709 /nfs/dbraw/zinc/33/67/09/1050336709.db2.gz ZOXSFBDFPNZCGI-ZIAGYGMSSA-N 1 0 346.402 4.333 20 5 EIBDRO CCCC[N@H+](CCC)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173188508 1050337708 /nfs/dbraw/zinc/33/77/08/1050337708.db2.gz GCFIWXQMUQMWHQ-ZDUSSCGKSA-N 1 0 326.412 4.186 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@@H]2c2ccccc2)c1F ZINC001173196515 1050340404 /nfs/dbraw/zinc/34/04/04/1050340404.db2.gz NEFRFKAKRQPRGC-CZUORRHYSA-N 1 0 344.386 4.121 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccccc1C(F)(F)F ZINC001173217035 1050350843 /nfs/dbraw/zinc/35/08/43/1050350843.db2.gz OWSPPLYOLWBYKF-GFCCVEGCSA-N 1 0 338.329 4.334 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC001173222634 1050354567 /nfs/dbraw/zinc/35/45/67/1050354567.db2.gz YHOLZMKOUMDJBV-HNNXBMFYSA-N 1 0 342.439 4.493 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173224129 1050355111 /nfs/dbraw/zinc/35/51/11/1050355111.db2.gz MGVGRHXMEOGZMS-LSDHHAIUSA-N 1 0 328.412 4.275 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1cccnc1Cl)C1CC1 ZINC001173230044 1050357377 /nfs/dbraw/zinc/35/73/77/1050357377.db2.gz PZRYLLFGENPPOI-SJKOYZFVSA-N 1 0 345.830 4.315 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1ncccc1Cl)C1CC1 ZINC001173229300 1050357969 /nfs/dbraw/zinc/35/79/69/1050357969.db2.gz MJOPMCGWVATFPZ-SJKOYZFVSA-N 1 0 345.830 4.315 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC001173225998 1050358097 /nfs/dbraw/zinc/35/80/97/1050358097.db2.gz GXBTZVZKMONODI-RRCMXIFQSA-N 1 0 328.456 4.426 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001173232057 1050358777 /nfs/dbraw/zinc/35/87/77/1050358777.db2.gz CNXPDEJSNINGEW-KZULUSFZSA-N 1 0 330.815 4.456 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)c1cc(Cl)ccn1 ZINC001173231136 1050360608 /nfs/dbraw/zinc/36/06/08/1050360608.db2.gz XVQLIADUPDZDPA-GFCCVEGCSA-N 1 0 333.819 4.099 20 5 EIBDRO COc1ccc([C@@H](C)[N@H+](C)[C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173234507 1050361750 /nfs/dbraw/zinc/36/17/50/1050361750.db2.gz RSPFFCBLXVFUCD-HUUCEWRRSA-N 1 0 328.412 4.227 20 5 EIBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173235789 1050361866 /nfs/dbraw/zinc/36/18/66/1050361866.db2.gz UWQQDXLBYBNXFA-KXBFYZLASA-N 1 0 339.439 4.134 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(-c2ccccn2)cc1 ZINC001173234480 1050361902 /nfs/dbraw/zinc/36/19/02/1050361902.db2.gz PAKXOIVZHVJKIH-INIZCTEOSA-N 1 0 347.418 4.378 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1ccccc1Cl ZINC001173233690 1050362151 /nfs/dbraw/zinc/36/21/51/1050362151.db2.gz MCLYMHQONVDLLM-CQSZACIVSA-N 1 0 332.831 4.354 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1ccccc1Cl ZINC001173233689 1050362345 /nfs/dbraw/zinc/36/23/45/1050362345.db2.gz MCLYMHQONVDLLM-AWEZNQCLSA-N 1 0 332.831 4.354 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1c(F)cccc1Cl ZINC001173213948 1050372880 /nfs/dbraw/zinc/37/28/80/1050372880.db2.gz JOEXSYMPIUATCN-GFCCVEGCSA-N 1 0 336.794 4.151 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)Cc1ccc(F)cc1 ZINC001173214202 1050374218 /nfs/dbraw/zinc/37/42/18/1050374218.db2.gz NBBLTMAUARNREH-AWEZNQCLSA-N 1 0 330.403 4.276 20 5 EIBDRO COc1ccc2cc(C[NH2+]CCc3cccc([N+](=O)[O-])c3)ccc2c1 ZINC001178387045 1050451731 /nfs/dbraw/zinc/45/17/31/1050451731.db2.gz RPVYAHJRUULDTM-UHFFFAOYSA-N 1 0 336.391 4.089 20 5 EIBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC001178605846 1050515740 /nfs/dbraw/zinc/51/57/40/1050515740.db2.gz RJHRYYBIQDVPNL-UHFFFAOYSA-N 1 0 340.423 4.249 20 5 EIBDRO Cc1cccnc1CCC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001178713175 1050538531 /nfs/dbraw/zinc/53/85/31/1050538531.db2.gz KWHZUHSOBMHGOR-UHFFFAOYSA-N 1 0 327.428 4.144 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc([Si](C)(C)C)cc1 ZINC001178850178 1050568978 /nfs/dbraw/zinc/56/89/78/1050568978.db2.gz ASHQMSUKHFWPOR-UHFFFAOYSA-N 1 0 342.515 4.047 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]CCOc2ccc(Cl)c(Cl)c2)c1 ZINC001178817084 1050571871 /nfs/dbraw/zinc/57/18/71/1050571871.db2.gz KIHXJOAGIWFEPL-UHFFFAOYSA-N 1 0 341.194 4.070 20 5 EIBDRO CC1([NH+]2CCC2)CCC(Nc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC001187797489 1050623272 /nfs/dbraw/zinc/62/32/72/1050623272.db2.gz AJGFZDLKOAOVDD-UHFFFAOYSA-N 1 0 346.456 4.023 20 5 EIBDRO C[NH+](C)Cc1ccccc1Nc1cc2nc3ccccc3nc2cc1N ZINC001173930880 1050652285 /nfs/dbraw/zinc/65/22/85/1050652285.db2.gz ASKAFBVHTHSJCA-UHFFFAOYSA-N 1 0 343.434 4.170 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@]1(c2ccccc2)CCCO1 ZINC001179650807 1050735394 /nfs/dbraw/zinc/73/53/94/1050735394.db2.gz HMEMLRIANJQQKT-HXUWFJFHSA-N 1 0 340.423 4.007 20 5 EIBDRO COc1c(Cl)cccc1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC001179685247 1050747443 /nfs/dbraw/zinc/74/74/43/1050747443.db2.gz IAYDRCTYDPWDBW-LCYFTJDESA-N 1 0 346.814 4.450 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2([C@@H]3CCCCO3)CC2)o1 ZINC001179662962 1050753907 /nfs/dbraw/zinc/75/39/07/1050753907.db2.gz ZTOJLXNBZFZLIV-SFHVURJKSA-N 1 0 342.395 4.046 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCC23CCOCC3)c2cc([N+](=O)[O-])ccc21 ZINC000619724545 1050872031 /nfs/dbraw/zinc/87/20/31/1050872031.db2.gz NGPWQFYSHSSZQR-ZWKOTPCHSA-N 1 0 344.455 4.256 20 5 EIBDRO CS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001180071809 1050873273 /nfs/dbraw/zinc/87/32/73/1050873273.db2.gz IBFDUNNFCUQSNL-QWHCGFSZSA-N 1 0 348.390 4.330 20 5 EIBDRO Cc1c(Nc2cc3[nH+]c4cc(N)c(C)cc4cc3cc2C)cnn1C ZINC001174393521 1050912451 /nfs/dbraw/zinc/91/24/51/1050912451.db2.gz GQKDEWZYQFNOOX-UHFFFAOYSA-N 1 0 331.423 4.373 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC001180318057 1050949392 /nfs/dbraw/zinc/94/93/92/1050949392.db2.gz VNMPHBGSRLGRTL-KRWDZBQOSA-N 1 0 340.423 4.113 20 5 EIBDRO C[NH+]1CCC(COc2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC001174479784 1051018613 /nfs/dbraw/zinc/01/86/13/1051018613.db2.gz KVLUTKWDUMWCAJ-UHFFFAOYSA-N 1 0 341.411 4.059 20 5 EIBDRO CC1(C)CCC(C)(C)[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC001174725585 1051151827 /nfs/dbraw/zinc/15/18/27/1051151827.db2.gz PAIJFWHOBRIRAD-UHFFFAOYSA-N 1 0 344.415 4.045 20 5 EIBDRO CCCCC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC001174780338 1051172996 /nfs/dbraw/zinc/17/29/96/1051172996.db2.gz OVFXZKULBCUVQE-MRXNPFEDSA-N 1 0 347.459 4.277 20 5 EIBDRO CC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@H](C)C(C)C ZINC001190606215 1051233450 /nfs/dbraw/zinc/23/34/50/1051233450.db2.gz SQTCINLHVYHNMU-LLVKDONJSA-N 1 0 329.238 4.224 20 5 EIBDRO CCOC1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001182020749 1051382937 /nfs/dbraw/zinc/38/29/37/1051382937.db2.gz NSNFJMDLIYAZGV-FUHWJXTLSA-N 1 0 346.471 4.245 20 5 EIBDRO C[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H](c2ccco2)C1 ZINC001191212863 1051386832 /nfs/dbraw/zinc/38/68/32/1051386832.db2.gz DAAMLNLHMNCYKF-YJBOKZPZSA-N 1 0 344.411 4.430 20 5 EIBDRO Cc1ccccc1[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000775462784 1051471805 /nfs/dbraw/zinc/47/18/05/1051471805.db2.gz FJPZRSLPQYWPPB-RTBURBONSA-N 1 0 342.439 4.314 20 5 EIBDRO CCN(C)c1ccccc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774172376 1051493787 /nfs/dbraw/zinc/49/37/87/1051493787.db2.gz BPEWDQNQMSUIJY-IBGZPJMESA-N 1 0 339.439 4.218 20 5 EIBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1(CC)CC ZINC001191822684 1051562235 /nfs/dbraw/zinc/56/22/35/1051562235.db2.gz YAYIOGAYBOULTI-IRXDYDNUSA-N 1 0 338.423 4.150 20 5 EIBDRO Cn1cc(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC001182929905 1051755182 /nfs/dbraw/zinc/75/51/82/1051755182.db2.gz OJCZAYHTUXCMHS-UHFFFAOYSA-N 1 0 343.814 4.072 20 5 EIBDRO CC(C)Oc1cccc([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)c1 ZINC001192759253 1051811160 /nfs/dbraw/zinc/81/11/60/1051811160.db2.gz WCEVVTFEEUERQQ-HNNXBMFYSA-N 1 0 344.411 4.112 20 5 EIBDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001193071621 1051862122 /nfs/dbraw/zinc/86/21/22/1051862122.db2.gz XQBVUDRKYKBKDE-FQEVSTJZSA-N 1 0 340.423 4.071 20 5 EIBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001193081219 1051864785 /nfs/dbraw/zinc/86/47/85/1051864785.db2.gz NJGYBMVIDOOJNJ-NVXWUHKLSA-N 1 0 347.459 4.180 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC001193055544 1051867301 /nfs/dbraw/zinc/86/73/01/1051867301.db2.gz XSJJLCMPNRXITI-SFHVURJKSA-N 1 0 326.396 4.331 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)COCC1CCCCC1 ZINC001183919973 1051927085 /nfs/dbraw/zinc/92/70/85/1051927085.db2.gz RPCWZIUISVJZLN-IAGOWNOFSA-N 1 0 348.487 4.491 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)cc1Cl ZINC001184238694 1051976426 /nfs/dbraw/zinc/97/64/26/1051976426.db2.gz DXUGRXXIPPSQJI-AWEZNQCLSA-N 1 0 337.206 4.159 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccc(F)c2)C2CCC2)cc1F ZINC001176305065 1052008500 /nfs/dbraw/zinc/00/85/00/1052008500.db2.gz VZRJUXUMGVBLTR-UHFFFAOYSA-N 1 0 332.350 4.428 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)cc1 ZINC001176641219 1052150292 /nfs/dbraw/zinc/15/02/92/1052150292.db2.gz QQRFPNBFCQOHIR-GFOMBABLSA-N 1 0 338.407 4.151 20 5 EIBDRO CC[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000774816476 1052160325 /nfs/dbraw/zinc/16/03/25/1052160325.db2.gz YQOLUSUASQDLAG-INIZCTEOSA-N 1 0 334.803 4.498 20 5 EIBDRO COc1ccc(OCC[NH2+][C@@H]2CCCCC23CCCC3)c([N+](=O)[O-])c1 ZINC001194588591 1052174269 /nfs/dbraw/zinc/17/42/69/1052174269.db2.gz JQGUYKRXWQVZJE-GOSISDBHSA-N 1 0 348.443 4.075 20 5 EIBDRO CC(C)c1ccc2c(c1)CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC001177027485 1052218763 /nfs/dbraw/zinc/21/87/63/1052218763.db2.gz LIMKOAWAQKLTTI-UHFFFAOYSA-N 1 0 340.423 4.155 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2OC)c1cccc([N+](=O)[O-])c1 ZINC000090918659 1052782814 /nfs/dbraw/zinc/78/28/14/1052782814.db2.gz ODBJBPMAMZMHEH-ZWKOTPCHSA-N 1 0 326.396 4.332 20 5 EIBDRO CC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC001168529616 1052786771 /nfs/dbraw/zinc/78/67/71/1052786771.db2.gz LUEQDFPPNYVZSX-LJQANCHMSA-N 1 0 342.439 4.320 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCCO2)c1cccc([N+](=O)[O-])c1 ZINC000850428537 1053206161 /nfs/dbraw/zinc/20/61/61/1053206161.db2.gz PONKBNUTTBULMF-ZIAGYGMSSA-N 1 0 326.396 4.332 20 5 EIBDRO CC(C)[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000794684113 1053266991 /nfs/dbraw/zinc/26/69/91/1053266991.db2.gz LJAJMNXZKOQRFI-HNAYVOBHSA-N 1 0 328.412 4.100 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H](O)c3ccccc31)CCCC2 ZINC000850525209 1053286471 /nfs/dbraw/zinc/28/64/71/1053286471.db2.gz HGANWOWERLVDKL-HSALFYBXSA-N 1 0 338.407 4.130 20 5 EIBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCCC[C@H]1c1ccccc1 ZINC001195156820 1053310122 /nfs/dbraw/zinc/31/01/22/1053310122.db2.gz ZORVMXAICLARRW-ROUUACIJSA-N 1 0 325.412 4.148 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)[C@@H](O)c1ccccc1 ZINC000794828038 1053439845 /nfs/dbraw/zinc/43/98/45/1053439845.db2.gz ATDLBDREWZAKED-BPAFIMBUSA-N 1 0 342.439 4.456 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)[C@@H](O)c1ccccc1 ZINC000794830228 1053441245 /nfs/dbraw/zinc/44/12/45/1053441245.db2.gz IMYDNQGCBSYBBH-YSSFQJQWSA-N 1 0 342.439 4.456 20 5 EIBDRO CC1=Nc2ccccc2C12CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC001195695541 1053463223 /nfs/dbraw/zinc/46/32/23/1053463223.db2.gz YOSDZAKSUNKXNU-UHFFFAOYSA-N 1 0 335.407 4.235 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCSCCC(F)(F)F ZINC000865787941 1053594752 /nfs/dbraw/zinc/59/47/52/1053594752.db2.gz AIVZBCQMDDRMMQ-UHFFFAOYSA-N 1 0 342.770 4.023 20 5 EIBDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000852779739 1053609720 /nfs/dbraw/zinc/60/97/20/1053609720.db2.gz COMOMSHFIYNNTJ-LBPRGKRZSA-N 1 0 346.814 4.424 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C)C[C@H](O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000120814403 1053619676 /nfs/dbraw/zinc/61/96/76/1053619676.db2.gz XDPKGRHAEBYANQ-JQFCIGGWSA-N 1 0 332.400 4.131 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000853094592 1053644333 /nfs/dbraw/zinc/64/43/33/1053644333.db2.gz HDOOTTCIXGIAEI-AWEZNQCLSA-N 1 0 326.396 4.079 20 5 EIBDRO CC[NH+](CC)CC1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853178631 1053651308 /nfs/dbraw/zinc/65/13/08/1053651308.db2.gz YEDUFEQLBAEYAE-UHFFFAOYSA-N 1 0 341.402 4.091 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000866311803 1053687422 /nfs/dbraw/zinc/68/74/22/1053687422.db2.gz KIEMAKKNTONKSI-BMIGLBTASA-N 1 0 335.379 4.011 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H](C)C[C@H](O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000121058584 1053727313 /nfs/dbraw/zinc/72/73/13/1053727313.db2.gz NILASYOWQVTSEU-UHYGZKCKSA-N 1 0 346.402 4.205 20 5 EIBDRO CC[C@@](C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001196818783 1053780080 /nfs/dbraw/zinc/78/00/80/1053780080.db2.gz NWKQRJVQMUWHMI-GOSISDBHSA-N 1 0 332.375 4.028 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866609318 1053802388 /nfs/dbraw/zinc/80/23/88/1053802388.db2.gz LIUXQKSHNTYOTA-ZLKJLUDKSA-N 1 0 344.333 4.151 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000866620882 1053809204 /nfs/dbraw/zinc/80/92/04/1053809204.db2.gz NUUCCJOZSHHPGK-CHWSQXEVSA-N 1 0 325.368 4.456 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000173340402 1054067885 /nfs/dbraw/zinc/06/78/85/1054067885.db2.gz SWSZOJHSGWDIBG-DYVFJYSZSA-N 1 0 342.395 4.168 20 5 EIBDRO C[C@@H]([NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173350977 1054100777 /nfs/dbraw/zinc/10/07/77/1054100777.db2.gz YIIZEUYZBVQOPO-XFQXTVEOSA-N 1 0 340.423 4.413 20 5 EIBDRO C[N@@H+]1CCC[C@H](CNc2cccc(F)c2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301439316 1054166217 /nfs/dbraw/zinc/16/62/17/1054166217.db2.gz TVCWPBIXJZYKGN-MLGOLLRUSA-N 1 0 349.431 4.290 20 5 EIBDRO C[N@@H+]1CCC[C@@H](CNc2cccc(F)c2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301439314 1054169255 /nfs/dbraw/zinc/16/92/55/1054169255.db2.gz TVCWPBIXJZYKGN-BLLLJJGKSA-N 1 0 349.431 4.290 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857066101 1054169999 /nfs/dbraw/zinc/16/99/99/1054169999.db2.gz XJBQFOIUZCTTDH-AAEUAGOBSA-N 1 0 331.243 4.089 20 5 EIBDRO C[C@@H]1CSCCCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001198517809 1054182282 /nfs/dbraw/zinc/18/22/82/1054182282.db2.gz ROQUIYZHTAZVSH-SECBINFHSA-N 1 0 335.256 4.229 20 5 EIBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+]CCCc1ccccc1 ZINC001198980601 1054318204 /nfs/dbraw/zinc/31/82/04/1054318204.db2.gz KDOYEKWGHBULHD-UHFFFAOYSA-N 1 0 349.228 4.080 20 5 EIBDRO Cc1cccc(OCC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC001198990524 1054323186 /nfs/dbraw/zinc/32/31/86/1054323186.db2.gz LQSWPONUXLRQJI-UHFFFAOYSA-N 1 0 328.412 4.195 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000872037400 1054353866 /nfs/dbraw/zinc/35/38/66/1054353866.db2.gz FNPAMCYGQJNANF-CXAGYDPISA-N 1 0 346.452 4.091 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)c1c(C)noc1C ZINC000872053619 1054364868 /nfs/dbraw/zinc/36/48/68/1054364868.db2.gz VYFWMIWVLIVIGW-WDEREUQCSA-N 1 0 349.456 4.376 20 5 EIBDRO C[C@@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000872060563 1054370833 /nfs/dbraw/zinc/37/08/33/1054370833.db2.gz RAVAHPHTKNTQMY-QLFBSQMISA-N 1 0 349.450 4.038 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCO[C@@H]1CCCC[C@@H]1C ZINC001199274988 1054372143 /nfs/dbraw/zinc/37/21/43/1054372143.db2.gz AUGJWMRIKXPPLT-WJQQLCIQSA-N 1 0 332.444 4.183 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063137 1054372572 /nfs/dbraw/zinc/37/25/72/1054372572.db2.gz SZYDHNNTEAUYKX-JCKWVBRZSA-N 1 0 344.386 4.305 20 5 EIBDRO CC(C)c1ccc(C[NH2+]C[C@@H](C)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC001199295592 1054382792 /nfs/dbraw/zinc/38/27/92/1054382792.db2.gz KJPQWRJEEUWTRV-HZPDHXFCSA-N 1 0 333.476 4.071 20 5 EIBDRO CC(C)c1ccc(C[NH2+]C[C@H](C)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC001199295591 1054383078 /nfs/dbraw/zinc/38/30/78/1054383078.db2.gz KJPQWRJEEUWTRV-HOTGVXAUSA-N 1 0 333.476 4.071 20 5 EIBDRO C[C@@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872093840 1054387517 /nfs/dbraw/zinc/38/75/17/1054387517.db2.gz XJZIZMYWBMJRCI-CJNGLKHVSA-N 1 0 336.407 4.124 20 5 EIBDRO Cc1c(C[NH2+][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000873028619 1054479173 /nfs/dbraw/zinc/47/91/73/1054479173.db2.gz OHJFWVVYYNKMFB-OALUTQOASA-N 1 0 344.386 4.052 20 5 EIBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)cc1[N+](=O)[O-] ZINC000873185392 1054503225 /nfs/dbraw/zinc/50/32/25/1054503225.db2.gz UIILSLJBXHGNJZ-LLVKDONJSA-N 1 0 339.317 4.168 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000873184100 1054505314 /nfs/dbraw/zinc/50/53/14/1054505314.db2.gz BVZUTWZQYZOXHL-GFCCVEGCSA-N 1 0 336.338 4.090 20 5 EIBDRO O=[N+]([O-])c1cccc(F)c1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000552909725 1054524293 /nfs/dbraw/zinc/52/42/93/1054524293.db2.gz NRDFIUNYVQDPCJ-CQSZACIVSA-N 1 0 335.404 4.044 20 5 EIBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878420911 1055303295 /nfs/dbraw/zinc/30/32/95/1055303295.db2.gz RNQDSDGQQPHPSC-HIFRSBDPSA-N 1 0 344.415 4.093 20 5 EIBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878448561 1055313899 /nfs/dbraw/zinc/31/38/99/1055313899.db2.gz SYRITRFURPBWQA-ZFWWWQNUSA-N 1 0 344.415 4.093 20 5 EIBDRO C[C@H](C1CCCCC1)[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878566702 1055346443 /nfs/dbraw/zinc/34/64/43/1055346443.db2.gz MGJXVMUUOGLBEK-CYBMUJFWSA-N 1 0 344.415 4.045 20 5 EIBDRO C[C@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301508514 1055650118 /nfs/dbraw/zinc/65/01/18/1055650118.db2.gz AQBPSVXDGNISDJ-GOEBONIOSA-N 1 0 343.402 4.199 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000542707491 1055851948 /nfs/dbraw/zinc/85/19/48/1055851948.db2.gz MOPZZNUPQHLOOH-GFCCVEGCSA-N 1 0 346.814 4.342 20 5 EIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000273705707 1056089068 /nfs/dbraw/zinc/08/90/68/1056089068.db2.gz NKYVNZOFKRNXKV-OLZOCXBDSA-N 1 0 344.415 4.074 20 5 EIBDRO C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000327258672 1056390740 /nfs/dbraw/zinc/39/07/40/1056390740.db2.gz CSUONEMHLXJKOR-OXJNMPFZSA-N 1 0 339.439 4.083 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1C[C@H](C)O[C@@H](C)C1 ZINC000554936822 1056833598 /nfs/dbraw/zinc/83/35/98/1056833598.db2.gz ANCPHIJRDAWOPM-GQXMGIGRSA-N 1 0 332.444 4.181 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCC(c2ccccc2)c2ccccc2)C1 ZINC001168977041 1060547903 /nfs/dbraw/zinc/54/79/03/1060547903.db2.gz HEMBOICLLYZHOV-FXAWDEMLSA-N 1 0 338.451 4.244 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccccc2Oc2ccc(F)cc2)C1 ZINC001168977032 1060548836 /nfs/dbraw/zinc/54/88/36/1060548836.db2.gz HAPQCEQXJSVMPA-YOEHRIQHSA-N 1 0 344.386 4.153 20 5 EIBDRO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987465 1060581479 /nfs/dbraw/zinc/58/14/79/1060581479.db2.gz IVYJWITXOOZINL-KCPJHIHWSA-N 1 0 345.270 4.350 20 5 EIBDRO C[N@H+](Cc1cccc(Oc2ccccc2)c1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046670 1060604084 /nfs/dbraw/zinc/60/40/84/1060604084.db2.gz LRWFHQHMNOXXCH-QZTJIDSGSA-N 1 0 340.423 4.356 20 5 EIBDRO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1(C)C ZINC001169090593 1060644328 /nfs/dbraw/zinc/64/43/28/1060644328.db2.gz IPXPGFVTLIIFMS-LLVKDONJSA-N 1 0 330.350 4.482 20 5 EIBDRO CC1(C)C[C@@H](Nc2cc3cc[nH]c3c([N+](=O)[O-])c2)C[C@](C)(C[NH3+])C1 ZINC001169145286 1060665978 /nfs/dbraw/zinc/66/59/78/1060665978.db2.gz OPMZYROBPDGBOI-KDOFPFPSSA-N 1 0 330.432 4.032 20 5 EIBDRO CC[C@](C)([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000766852836 1060990707 /nfs/dbraw/zinc/99/07/07/1060990707.db2.gz NZCPYOZZNFVQOZ-SFHVURJKSA-N 1 0 332.375 4.158 20 5 EIBDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000034995603 213004103 /nfs/dbraw/zinc/00/41/03/213004103.db2.gz HOWIVZXCGDBSLF-ZWNOBZJWSA-N 1 0 327.222 4.026 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000520401952 1032076136 /nfs/dbraw/zinc/07/61/36/1032076136.db2.gz PTZXUYXBNZQTMI-SFHVURJKSA-N 1 0 326.396 4.249 20 5 EIBDRO C[C@@H]([NH2+]CCSCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000532187698 1032078551 /nfs/dbraw/zinc/07/85/51/1032078551.db2.gz XRSJNAROXWXUSL-CYBMUJFWSA-N 1 0 334.416 4.318 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2csc(-c3ccccc3)n2)cc1 ZINC000105448309 1032240561 /nfs/dbraw/zinc/24/05/61/1032240561.db2.gz STEJWPSGSFSFRV-UHFFFAOYSA-N 1 0 339.420 4.051 20 5 EIBDRO COc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3C)C2)cc1F ZINC000500530638 1032589597 /nfs/dbraw/zinc/58/95/97/1032589597.db2.gz PLCFKRLZGGBRCG-WKILWMFISA-N 1 0 344.386 4.087 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1CNC1(c2ccc(Cl)cc2)CC1 ZINC000430212102 1019377758 /nfs/dbraw/zinc/37/77/58/1019377758.db2.gz ZIBHZMFFNMUHCH-UHFFFAOYSA-N 1 0 332.787 4.036 20 5 EIBDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120729557 1020104787 /nfs/dbraw/zinc/10/47/87/1020104787.db2.gz BMAZQIHIYWDVKD-BBRMVZONSA-N 1 0 344.415 4.045 20 5 EIBDRO O=[N+]([O-])c1ccccc1N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000610279306 1020945514 /nfs/dbraw/zinc/94/55/14/1020945514.db2.gz YSDDSDIJFGBLIR-SFHVURJKSA-N 1 0 325.412 4.234 20 5 EIBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])s2)[C@H]1c1cccs1 ZINC000610281335 1020965680 /nfs/dbraw/zinc/96/56/80/1020965680.db2.gz QJBGYZQFGUKPKZ-NHYWBVRUSA-N 1 0 337.470 4.213 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000179961598 1021180870 /nfs/dbraw/zinc/18/08/70/1021180870.db2.gz PANHEOJUOBAQNR-NRFANRHFSA-N 1 0 348.402 4.483 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000340524075 1021190107 /nfs/dbraw/zinc/19/01/07/1021190107.db2.gz JZHZXJLIXUMWDK-SCLBCKFNSA-N 1 0 326.396 4.337 20 5 EIBDRO CC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H](C)C(C)C ZINC000706425736 1021551109 /nfs/dbraw/zinc/55/11/09/1021551109.db2.gz RAHLFXFYPQQSJL-LLVKDONJSA-N 1 0 329.238 4.224 20 5 EIBDRO C[C@@H](NCC[C@@H](C)[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000379635503 1021846475 /nfs/dbraw/zinc/84/64/75/1021846475.db2.gz WFWVNABPEOQOKJ-IAGOWNOFSA-N 1 0 341.455 4.156 20 5 EIBDRO CCO[C@@H](C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000447567913 1021869063 /nfs/dbraw/zinc/86/90/63/1021869063.db2.gz FYAMSWMNQHSBIU-OALUTQOASA-N 1 0 328.412 4.413 20 5 EIBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cncc(F)c1 ZINC000414139223 1021940859 /nfs/dbraw/zinc/94/08/59/1021940859.db2.gz IBOZZEVZXFOSSI-GTNSWQLSSA-N 1 0 329.375 4.202 20 5 EIBDRO CCOc1cc(C[N@@H+]2C[C@H](c3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001167396951 1022005268 /nfs/dbraw/zinc/00/52/68/1022005268.db2.gz DCHWSUDNONGHOC-CRAIPNDOSA-N 1 0 340.423 4.372 20 5 EIBDRO CCOc1ccccc1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468623109 1022039698 /nfs/dbraw/zinc/03/96/98/1022039698.db2.gz VKTKFMHDIIXBAS-RVDMUPIBSA-N 1 0 326.396 4.187 20 5 EIBDRO C[C@@H](C1CC1)[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000549366781 1022088155 /nfs/dbraw/zinc/08/81/55/1022088155.db2.gz PZXXJLOGTAUZRA-JTQLQIEISA-N 1 0 328.334 4.377 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOc1ccccc1 ZINC000468631066 1022092427 /nfs/dbraw/zinc/09/24/27/1022092427.db2.gz QIBAAPMDQFZPSW-DTQAZKPQSA-N 1 0 326.396 4.057 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000580550265 1022201938 /nfs/dbraw/zinc/20/19/38/1022201938.db2.gz BRMJZDKBCKHHBZ-UPJWGTAASA-N 1 0 332.425 4.151 20 5 EIBDRO C[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1cccc([N+](=O)[O-])c1 ZINC000471604325 1022338451 /nfs/dbraw/zinc/33/84/51/1022338451.db2.gz XIPCESIZUIZFJV-CYBMUJFWSA-N 1 0 341.386 4.119 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)[C@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000471611690 1022393346 /nfs/dbraw/zinc/39/33/46/1022393346.db2.gz CVAWLUCLQZBWFN-TWOQFEAHSA-N 1 0 341.455 4.245 20 5 EIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CC[C@H](O)CC1 ZINC000275949011 1022450508 /nfs/dbraw/zinc/45/05/08/1022450508.db2.gz JEZSSFRRPMFOEK-KOMQPUFPSA-N 1 0 346.452 4.059 20 5 EIBDRO CCC[C@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120196233 1022461110 /nfs/dbraw/zinc/46/11/10/1022461110.db2.gz LGHJANTVEJUJQR-IBGZPJMESA-N 1 0 341.411 4.184 20 5 EIBDRO COc1ccc([C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000120194655 1022471221 /nfs/dbraw/zinc/47/12/21/1022471221.db2.gz FKXHFIPGLJEIGH-YJYMSZOUSA-N 1 0 326.396 4.405 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CC[C@H](F)C3)o2)c(Cl)c1 ZINC000579883877 1022547436 /nfs/dbraw/zinc/54/74/36/1022547436.db2.gz BOEINQSLVOEACF-WDEREUQCSA-N 1 0 338.766 4.488 20 5 EIBDRO C[C@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)c1cccc([N+](=O)[O-])c1 ZINC000892622622 1022613051 /nfs/dbraw/zinc/61/30/51/1022613051.db2.gz PIFDDPBZMKQUCI-VIFPVBQESA-N 1 0 345.346 4.007 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000178217708 1022784273 /nfs/dbraw/zinc/78/42/73/1022784273.db2.gz YEICGPGRQRTDDR-ZIAGYGMSSA-N 1 0 326.396 4.250 20 5 EIBDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])CCS2 ZINC000276074452 1022896415 /nfs/dbraw/zinc/89/64/15/1022896415.db2.gz AIAQIEWSSMMRKX-WBMJQRKESA-N 1 0 344.436 4.491 20 5 EIBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(OC(C)(C)C)nc2)cccc1[N+](=O)[O-] ZINC000181348663 1022956967 /nfs/dbraw/zinc/95/69/67/1022956967.db2.gz ZDMGYOPGAKFEQK-AWEZNQCLSA-N 1 0 343.427 4.326 20 5 EIBDRO COCC1CCC([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000414510784 1023246996 /nfs/dbraw/zinc/24/69/96/1023246996.db2.gz IPQNRSQHNZHWIK-UHFFFAOYSA-N 1 0 344.411 4.150 20 5 EIBDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312993 1023258697 /nfs/dbraw/zinc/25/86/97/1023258697.db2.gz UJTQYUVVXZGZIU-SGTLLEGYSA-N 1 0 343.427 4.360 20 5 EIBDRO CCc1nc(C)c(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)o1 ZINC000417325991 1023267021 /nfs/dbraw/zinc/26/70/21/1023267021.db2.gz CQVPPGXIZXHMFN-MRXNPFEDSA-N 1 0 329.400 4.011 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCOC3(CCC3)C1)CCCC2 ZINC000417325323 1023267103 /nfs/dbraw/zinc/26/71/03/1023267103.db2.gz BVLLFCWLLJDAHP-HNAYVOBHSA-N 1 0 344.455 4.301 20 5 EIBDRO C[C@@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1nccs1 ZINC000417343923 1023280570 /nfs/dbraw/zinc/28/05/70/1023280570.db2.gz PAQBCRAPHKTKCS-BLLLJJGKSA-N 1 0 331.441 4.212 20 5 EIBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132229 1023472433 /nfs/dbraw/zinc/47/24/33/1023472433.db2.gz JVDCBKYWVGOWGK-FUHWJXTLSA-N 1 0 346.452 4.256 20 5 EIBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(SC)cc2)ccc1[N+](=O)[O-] ZINC000500224764 1023603267 /nfs/dbraw/zinc/60/32/67/1023603267.db2.gz BNPYNIZDCFDUEC-LBPRGKRZSA-N 1 0 332.425 4.176 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)c1 ZINC000178146566 1023719620 /nfs/dbraw/zinc/71/96/20/1023719620.db2.gz YIMUUAWBRVMOBE-MRXNPFEDSA-N 1 0 332.787 4.252 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)c1 ZINC000178146577 1023719800 /nfs/dbraw/zinc/71/98/00/1023719800.db2.gz YIMUUAWBRVMOBE-INIZCTEOSA-N 1 0 332.787 4.252 20 5 EIBDRO COc1ccc(C[NH2+][C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000500428909 1023825884 /nfs/dbraw/zinc/82/58/84/1023825884.db2.gz RRVXHVANSZVIDN-SGTLLEGYSA-N 1 0 346.814 4.282 20 5 EIBDRO CC(C)([NH2+]Cc1cccc(OC(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000175984587 1023884366 /nfs/dbraw/zinc/88/43/66/1023884366.db2.gz VWPMRHJTSOEBRP-UHFFFAOYSA-N 1 0 336.338 4.221 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@H]4CCC[C@@H]43)cs2)c1 ZINC000511844092 1023932863 /nfs/dbraw/zinc/93/28/63/1023932863.db2.gz PLBDGVYXIGDJRZ-DYVFJYSZSA-N 1 0 343.452 4.483 20 5 EIBDRO COc1ccc(CN[C@@H](c2ccco2)c2ccccc2)cc1[N+](=O)[O-] ZINC000106466071 1023948280 /nfs/dbraw/zinc/94/82/80/1023948280.db2.gz CQNIDHIBDXQJCM-LJQANCHMSA-N 1 0 338.363 4.076 20 5 EIBDRO CC1(C)CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000510525400 1023982336 /nfs/dbraw/zinc/98/23/36/1023982336.db2.gz UEQFPWSIUPPWEY-UHFFFAOYSA-N 1 0 331.441 4.340 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430745272 1024002817 /nfs/dbraw/zinc/00/28/17/1024002817.db2.gz WLLODXOJAWIAEE-STQMWFEESA-N 1 0 344.427 4.491 20 5 EIBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC000308694399 1024322566 /nfs/dbraw/zinc/32/25/66/1024322566.db2.gz CMHLAUWKQNWYGP-IAQYHMDHSA-N 1 0 341.249 4.416 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCOC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000127387407 1024402766 /nfs/dbraw/zinc/40/27/66/1024402766.db2.gz OKERCBIDALBEIP-CVEARBPZSA-N 1 0 332.444 4.436 20 5 EIBDRO CC[C@H]([NH2+]CCCOc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000610810318 1024994423 /nfs/dbraw/zinc/99/44/23/1024994423.db2.gz GXQJLRDCDKOHDG-KRWDZBQOSA-N 1 0 344.411 4.113 20 5 EIBDRO CCCCn1cc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000538115756 1025020912 /nfs/dbraw/zinc/02/09/12/1025020912.db2.gz BTIHPLJXRFVHCA-OAHLLOKOSA-N 1 0 344.459 4.011 20 5 EIBDRO Cc1cc(C[NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)[nH]n1 ZINC000610821168 1025054610 /nfs/dbraw/zinc/05/46/10/1025054610.db2.gz RVYRMKCQIZUZFB-GFCCVEGCSA-N 1 0 342.424 4.206 20 5 EIBDRO Cc1cc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000065202071 1025149877 /nfs/dbraw/zinc/14/98/77/1025149877.db2.gz BEPNMHOTBOCMJL-SFHVURJKSA-N 1 0 339.439 4.227 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000121317021 1025197387 /nfs/dbraw/zinc/19/73/87/1025197387.db2.gz DEIDPZCVQIYFOX-UONOGXRCSA-N 1 0 344.411 4.332 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000342138537 1025333839 /nfs/dbraw/zinc/33/38/39/1025333839.db2.gz STBYYMYEAYFHMW-AWEZNQCLSA-N 1 0 329.375 4.012 20 5 EIBDRO C[NH+](C)Cc1ccc(CNc2c(Cl)cccc2[N+](=O)[O-])cc1F ZINC000432322949 1025395662 /nfs/dbraw/zinc/39/56/62/1025395662.db2.gz BBDFQQKUBZRJLK-UHFFFAOYSA-N 1 0 337.782 4.061 20 5 EIBDRO Cc1ccc(CN(C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)o1 ZINC000506790168 1025752081 /nfs/dbraw/zinc/75/20/81/1025752081.db2.gz OSHKGCJSWHDRNI-UHFFFAOYSA-N 1 0 326.352 4.388 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000266435063 1025856570 /nfs/dbraw/zinc/85/65/70/1025856570.db2.gz FBLUFBXKWHXZHR-STQMWFEESA-N 1 0 330.384 4.024 20 5 EIBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@H]1CCCOC1 ZINC000119719534 1025889196 /nfs/dbraw/zinc/88/91/96/1025889196.db2.gz IIHDKNQCJROCFE-CQSZACIVSA-N 1 0 346.452 4.182 20 5 EIBDRO C[N@H+](CCCOc1cccc(Cl)c1)Cc1ccccc1[N+](=O)[O-] ZINC000071968567 1025934531 /nfs/dbraw/zinc/93/45/31/1025934531.db2.gz UBRGXTQQWPRVMI-UHFFFAOYSA-N 1 0 334.803 4.149 20 5 EIBDRO CC1(C)C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]2CCC[C@H]21 ZINC000550076126 1026019473 /nfs/dbraw/zinc/01/94/73/1026019473.db2.gz KWNOXLWFSJACMW-SJORKVTESA-N 1 0 341.411 4.260 20 5 EIBDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279128827 1026119890 /nfs/dbraw/zinc/11/98/90/1026119890.db2.gz QTOZUGBSKCEXOZ-VOJFVSQTSA-N 1 0 343.427 4.143 20 5 EIBDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000540066616 1026259199 /nfs/dbraw/zinc/25/91/99/1026259199.db2.gz MHYPWFDNAZFVSE-KXBFYZLASA-N 1 0 344.411 4.148 20 5 EIBDRO COc1c(C)cc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000796811862 1026289590 /nfs/dbraw/zinc/28/95/90/1026289590.db2.gz SEVPLRCHSBUEKP-LBPRGKRZSA-N 1 0 334.803 4.416 20 5 EIBDRO Cc1ccc(C[NH+]2CCC(OC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000092736030 1026313151 /nfs/dbraw/zinc/31/31/51/1026313151.db2.gz GISJOHWFDTYESK-UHFFFAOYSA-N 1 0 332.444 4.217 20 5 EIBDRO Cc1ccc(CNCc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000604532646 1026488218 /nfs/dbraw/zinc/48/82/18/1026488218.db2.gz IZKJOJJPLKTTHN-UHFFFAOYSA-N 1 0 325.195 4.500 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cnn1C(C)(C)C ZINC000478482832 1026570114 /nfs/dbraw/zinc/57/01/14/1026570114.db2.gz CXZJMVBKNPHVII-CYBMUJFWSA-N 1 0 330.432 4.014 20 5 EIBDRO Cc1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c2ccccc2n1 ZINC000519587535 1026610156 /nfs/dbraw/zinc/61/01/56/1026610156.db2.gz CUFIRGFQLUJART-UHFFFAOYSA-N 1 0 335.407 4.126 20 5 EIBDRO C[N@H+](CCC1CCCCC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000507617806 1026855230 /nfs/dbraw/zinc/85/52/30/1026855230.db2.gz OOOXDSXCYKEJTB-UHFFFAOYSA-N 1 0 344.415 4.047 20 5 EIBDRO COc1cc(C[N@H+](C)C(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000158738790 1026948091 /nfs/dbraw/zinc/94/80/91/1026948091.db2.gz JEQIMGRPGAGRHX-UHFFFAOYSA-N 1 0 344.411 4.023 20 5 EIBDRO C[C@H]([NH2+]CCCCOCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178651953 1027103410 /nfs/dbraw/zinc/10/34/10/1027103410.db2.gz KLCHMFCJCOSJFX-INIZCTEOSA-N 1 0 328.412 4.242 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178660910 1027262394 /nfs/dbraw/zinc/26/23/94/1027262394.db2.gz PXSRTDYENPMCRZ-CABCVRRESA-N 1 0 336.395 4.192 20 5 EIBDRO CCOC(=O)C1(C)CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000474811332 1027518974 /nfs/dbraw/zinc/51/89/74/1027518974.db2.gz OKRCXVYLTHBDSO-ASFAAARLSA-N 1 0 348.443 4.066 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000475550388 1027589596 /nfs/dbraw/zinc/58/95/96/1027589596.db2.gz RARFNVYSYMRRSZ-DOTOQJQBSA-N 1 0 344.386 4.168 20 5 EIBDRO Cn1cc(C[N@H+](C)[C@@H]2CCC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000475545295 1027597977 /nfs/dbraw/zinc/59/79/77/1027597977.db2.gz BCRKQRQEQNJEMZ-QGZVFWFLSA-N 1 0 342.443 4.006 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCC(C(F)(F)F)CC1 ZINC000474867995 1027701831 /nfs/dbraw/zinc/70/18/31/1027701831.db2.gz JIICDIXNIPXXCC-XGNXJENSSA-N 1 0 330.350 4.442 20 5 EIBDRO CO[C@]1(C)CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000475577147 1027702480 /nfs/dbraw/zinc/70/24/80/1027702480.db2.gz ZNHBETHRVOJLAK-LJQANCHMSA-N 1 0 344.411 4.246 20 5 EIBDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000444660187 1027931550 /nfs/dbraw/zinc/93/15/50/1027931550.db2.gz IXAQDPWKZIFWKZ-BBRMVZONSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1ccccc1[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000444685751 1027943016 /nfs/dbraw/zinc/94/30/16/1027943016.db2.gz AXARTRAJZWOBSI-LJQANCHMSA-N 1 0 338.411 4.266 20 5 EIBDRO Cc1ccccc1[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444689376 1027975734 /nfs/dbraw/zinc/97/57/34/1027975734.db2.gz NEILXNCDCRHTON-LJQANCHMSA-N 1 0 336.395 4.020 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000324074444 1028104973 /nfs/dbraw/zinc/10/49/73/1028104973.db2.gz YQBGDGCIIHPFAJ-SJORKVTESA-N 1 0 347.484 4.390 20 5 EIBDRO O=[N+]([O-])c1ccc(CNc2[nH+]ccn2Cc2ccccc2Cl)cc1 ZINC000508508584 1028108076 /nfs/dbraw/zinc/10/80/76/1028108076.db2.gz YVSLCZVLFSWPSS-UHFFFAOYSA-N 1 0 342.786 4.105 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)c1 ZINC000523610498 1028261455 /nfs/dbraw/zinc/26/14/55/1028261455.db2.gz YRYBAFDEZQFHKM-UHFFFAOYSA-N 1 0 340.423 4.024 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCc1ccc(Cl)s1 ZINC000218988192 1028519000 /nfs/dbraw/zinc/51/90/00/1028519000.db2.gz NCLOLRSCMGHTSE-UHFFFAOYSA-N 1 0 331.224 4.295 20 5 EIBDRO Cc1cccc2[nH]cc(CC[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)c21 ZINC000783613279 1028800984 /nfs/dbraw/zinc/80/09/84/1028800984.db2.gz HVJSEXXWDQMQJI-UHFFFAOYSA-N 1 0 343.814 4.370 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccsc1C(F)(F)F ZINC000601287221 1028985099 /nfs/dbraw/zinc/98/50/99/1028985099.db2.gz FFFYRARAGSDSQN-GFCCVEGCSA-N 1 0 342.342 4.452 20 5 EIBDRO COCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)c1ccccc1 ZINC000508560004 1029266213 /nfs/dbraw/zinc/26/62/13/1029266213.db2.gz HOMRYSRUGHCWAR-MRXNPFEDSA-N 1 0 328.412 4.113 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000475281496 1029495996 /nfs/dbraw/zinc/49/59/96/1029495996.db2.gz PNBGXSSKBMLFIJ-FMUZQAFBSA-N 1 0 328.334 4.271 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000475281499 1029496543 /nfs/dbraw/zinc/49/65/43/1029496543.db2.gz PNBGXSSKBMLFIJ-LFIVMHCDSA-N 1 0 328.334 4.271 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@H]4CCC[C@H]43)cs2)c1 ZINC000428451744 1029534637 /nfs/dbraw/zinc/53/46/37/1029534637.db2.gz FKKQQIOKMKOKLE-BLLLJJGKSA-N 1 0 329.425 4.093 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000475329170 1029541728 /nfs/dbraw/zinc/54/17/28/1029541728.db2.gz AVYMYEIKCBULLO-BBRMVZONSA-N 1 0 332.350 4.299 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccccc1OC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000450689294 1029899335 /nfs/dbraw/zinc/89/93/35/1029899335.db2.gz XOPLBUXPERCSER-GOSISDBHSA-N 1 0 326.396 4.377 20 5 EIBDRO Cc1csc(CCCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000447527282 1030122184 /nfs/dbraw/zinc/12/21/84/1030122184.db2.gz GCROGLFPUKBUIG-QGZVFWFLSA-N 1 0 345.468 4.350 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCC3(CCOCC3)CC1)CCC2 ZINC000447572938 1030157908 /nfs/dbraw/zinc/15/79/08/1030157908.db2.gz FEOBHXGWDWYUPG-LJQANCHMSA-N 1 0 344.455 4.301 20 5 EIBDRO CCO[C@@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000447557423 1030164869 /nfs/dbraw/zinc/16/48/69/1030164869.db2.gz LTPRVSTUAFPGGV-BEFAXECRSA-N 1 0 328.412 4.332 20 5 EIBDRO CO[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000447589132 1030193219 /nfs/dbraw/zinc/19/32/19/1030193219.db2.gz WQIVWYULQPUHCY-RTBURBONSA-N 1 0 344.386 4.089 20 5 EIBDRO COc1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1C ZINC000447797476 1030327861 /nfs/dbraw/zinc/32/78/61/1030327861.db2.gz KGXSLHFPWRFQSV-UHFFFAOYSA-N 1 0 326.396 4.076 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000179207218 1030355637 /nfs/dbraw/zinc/35/56/37/1030355637.db2.gz HTZJDSJQLBPFSP-HNNXBMFYSA-N 1 0 347.212 4.134 20 5 EIBDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000530464064 1030421571 /nfs/dbraw/zinc/42/15/71/1030421571.db2.gz FEKYJMJBAPOGGD-RDTXWAMCSA-N 1 0 348.443 4.156 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCOCC1 ZINC000530566519 1030548189 /nfs/dbraw/zinc/54/81/89/1030548189.db2.gz XPDRWYUFQOFWQC-GOSISDBHSA-N 1 0 344.411 4.150 20 5 EIBDRO Cc1cccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000102423669 1030776357 /nfs/dbraw/zinc/77/63/57/1030776357.db2.gz JFTHCBOZYSSOBB-UHFFFAOYSA-N 1 0 339.420 4.317 20 5 EIBDRO CC(C)[N@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000179320468 1030898679 /nfs/dbraw/zinc/89/86/79/1030898679.db2.gz ZOPBPZOMRBQFPF-UHFFFAOYSA-N 1 0 330.432 4.026 20 5 EIBDRO CC(C)c1ccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000188256905 1030998997 /nfs/dbraw/zinc/99/89/97/1030998997.db2.gz PENBBHIJLBYHPM-IBGZPJMESA-N 1 0 332.444 4.109 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc2ccccc2n1)C1CC1 ZINC000532462387 1031117976 /nfs/dbraw/zinc/11/79/76/1031117976.db2.gz ZJJDUCZVAMXGGQ-FQEVSTJZSA-N 1 0 347.418 4.254 20 5 EIBDRO F[C@@H]1CC[NH2+]C[C@@H]1Nc1cnc2c3ccccc3c3ccccc3c2n1 ZINC001168227801 1031376811 /nfs/dbraw/zinc/37/68/11/1031376811.db2.gz XEHDYNBGFHNZBM-MSOLQXFVSA-N 1 0 346.409 4.048 20 5 EIBDRO C[C@H](C[NH2+][C@@H](C)c1cc2cnccc2o1)c1ccccc1[N+](=O)[O-] ZINC000897461826 1031391334 /nfs/dbraw/zinc/39/13/34/1031391334.db2.gz YUDRYQKZRNZYGE-OLZOCXBDSA-N 1 0 325.368 4.190 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000449067971 1031420888 /nfs/dbraw/zinc/42/08/88/1031420888.db2.gz PNTGMIZBOUQVHM-STQMWFEESA-N 1 0 332.375 4.024 20 5 EIBDRO COc1ccc(CCC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000520204746 1031425545 /nfs/dbraw/zinc/42/55/45/1031425545.db2.gz DWGKKWUKYCZXTJ-UHFFFAOYSA-N 1 0 342.439 4.449 20 5 EIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000449127683 1031464579 /nfs/dbraw/zinc/46/45/79/1031464579.db2.gz PSQLCRNXBLHMAB-ZDUSSCGKSA-N 1 0 347.484 4.112 20 5 EIBDRO CCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000531683261 1031475068 /nfs/dbraw/zinc/47/50/68/1031475068.db2.gz BUBOSSHWUHRALN-CQSZACIVSA-N 1 0 341.411 4.103 20 5 EIBDRO Cc1csc([C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000449169749 1031491298 /nfs/dbraw/zinc/49/12/98/1031491298.db2.gz DRPSRCBBDUQACS-MEDUHNTESA-N 1 0 331.441 4.032 20 5 EIBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1cc2ccccc2o1 ZINC000472433135 1031572265 /nfs/dbraw/zinc/57/22/65/1031572265.db2.gz NGQFZOJKZUNMJV-AWEZNQCLSA-N 1 0 342.399 4.011 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449245516 1031581612 /nfs/dbraw/zinc/58/16/12/1031581612.db2.gz BMIVKBISBUDJRF-LPMFXHHGSA-N 1 0 346.402 4.031 20 5 EIBDRO Cc1c(C[NH2+]C2CCC(OC3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000449278592 1031589932 /nfs/dbraw/zinc/58/99/32/1031589932.db2.gz KTMJSUQLVAELDU-UHFFFAOYSA-N 1 0 332.444 4.263 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3C=CCCC3)o2)c([N+](=O)[O-])c1 ZINC000531810901 1031623112 /nfs/dbraw/zinc/62/31/12/1031623112.db2.gz FIDWPASHBPWKQJ-CYBMUJFWSA-N 1 0 328.368 4.062 20 5 EIBDRO C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449346855 1031643588 /nfs/dbraw/zinc/64/35/88/1031643588.db2.gz DNQHIVGWSJZPDT-KGLIPLIRSA-N 1 0 338.411 4.143 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000136713894 1031649616 /nfs/dbraw/zinc/64/96/16/1031649616.db2.gz ZZGDOUDXERJXJK-MRXNPFEDSA-N 1 0 332.444 4.300 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000449334498 1031651655 /nfs/dbraw/zinc/65/16/55/1031651655.db2.gz JSFLUZMPJITKAP-ZTNFWEORSA-N 1 0 340.423 4.036 20 5 EIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CSc2ccccc21 ZINC000449367294 1031661025 /nfs/dbraw/zinc/66/10/25/1031661025.db2.gz UZWDCPKIGZELFQ-ZFWWWQNUSA-N 1 0 328.437 4.005 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(CCOCc2ccccc2)CC1 ZINC000612580818 1031670366 /nfs/dbraw/zinc/67/03/66/1031670366.db2.gz STUDLBBQQVENNZ-UHFFFAOYSA-N 1 0 340.423 4.132 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000612580617 1031670539 /nfs/dbraw/zinc/67/05/39/1031670539.db2.gz KVEYTPFSYUASPJ-ZFWWWQNUSA-N 1 0 330.350 4.362 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000449353428 1031675396 /nfs/dbraw/zinc/67/53/96/1031675396.db2.gz BICSIMNRUAPTLQ-IEBWSBKVSA-N 1 0 346.471 4.102 20 5 EIBDRO CC(C)OCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000612593488 1031685307 /nfs/dbraw/zinc/68/53/07/1031685307.db2.gz AKLKADMDGYFSNX-UHFFFAOYSA-N 1 0 348.374 4.041 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3scnc3C3CC3)C2)cc1 ZINC000449499362 1031807917 /nfs/dbraw/zinc/80/79/17/1031807917.db2.gz LXAZLYQONDEGSM-OAHLLOKOSA-N 1 0 343.452 4.308 20 5 EIBDRO CO[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1(C)C ZINC000449506984 1031814075 /nfs/dbraw/zinc/81/40/75/1031814075.db2.gz ZXSGDYVUDMUZNV-SFHVURJKSA-N 1 0 344.411 4.102 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H](C)O ZINC000453322182 1031849457 /nfs/dbraw/zinc/84/94/57/1031849457.db2.gz ACVICZKYUZHBAQ-SCRDCRAPSA-N 1 0 334.441 4.133 20 5 EIBDRO COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC000449617318 1031878404 /nfs/dbraw/zinc/87/84/04/1031878404.db2.gz HAZZGNJYXNLHHA-WBAXXEDZSA-N 1 0 340.423 4.070 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532127305 1032055789 /nfs/dbraw/zinc/05/57/89/1032055789.db2.gz RYFAFPJRDBJDHZ-GJZGRUSLSA-N 1 0 348.443 4.100 20 5 EIBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433163414 1033961000 /nfs/dbraw/zinc/96/10/00/1033961000.db2.gz BRYQFOUSFDXZPO-YJYMSZOUSA-N 1 0 340.423 4.244 20 5 EIBDRO CC1(C)C[C@@H]([NH2+][C@H](c2cccnc2)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433304336 1034197851 /nfs/dbraw/zinc/19/78/51/1034197851.db2.gz MYNHMYUKCSFSQI-MOPGFXCFSA-N 1 0 337.423 4.453 20 5 EIBDRO CC(C)CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCC1 ZINC000508821929 1034292703 /nfs/dbraw/zinc/29/27/03/1034292703.db2.gz KDWARSJEFRMDFY-UHFFFAOYSA-N 1 0 348.443 4.252 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(c2ccccn2)CCC1 ZINC000513001941 1034320369 /nfs/dbraw/zinc/32/03/69/1034320369.db2.gz PXBRRBACZOVVQI-FOWTUZBSSA-N 1 0 337.423 4.105 20 5 EIBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000120624688 1034663469 /nfs/dbraw/zinc/66/34/69/1034663469.db2.gz LOXSVZPLHUKCQR-AWEZNQCLSA-N 1 0 349.390 4.037 20 5 EIBDRO COCC[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237114982 1034821053 /nfs/dbraw/zinc/82/10/53/1034821053.db2.gz QFYMKFKDOHZOQZ-NSHDSACASA-N 1 0 338.791 4.023 20 5 EIBDRO COc1ccccc1C[C@H](C)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000513479525 1034979961 /nfs/dbraw/zinc/97/99/61/1034979961.db2.gz NGHQYBGJZHLMKB-CLOOOTJHSA-N 1 0 340.423 4.180 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000182726639 1034986540 /nfs/dbraw/zinc/98/65/40/1034986540.db2.gz XRCMJIABLYPHHC-KBPBESRZSA-N 1 0 331.441 4.300 20 5 EIBDRO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182759360 1034988970 /nfs/dbraw/zinc/98/89/70/1034988970.db2.gz TZTUQCMZKUJFAI-KBXCAEBGSA-N 1 0 342.443 4.152 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000595019671 1035509104 /nfs/dbraw/zinc/50/91/04/1035509104.db2.gz PDIHSPDPGWYDKZ-JMERFSKESA-N 1 0 326.396 4.188 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1(c2ccccc2)CCC1 ZINC000595022730 1035509997 /nfs/dbraw/zinc/50/99/97/1035509997.db2.gz NEQXRQSOCPAVIF-CQSZACIVSA-N 1 0 326.396 4.333 20 5 EIBDRO CCSC1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000594987522 1035521436 /nfs/dbraw/zinc/52/14/36/1035521436.db2.gz WDMZZLYWJWSRLK-UHFFFAOYSA-N 1 0 349.481 4.094 20 5 EIBDRO COc1ccc([C@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1F ZINC000595002926 1035524993 /nfs/dbraw/zinc/52/49/93/1035524993.db2.gz BQVOTKVWWUHVFC-NWDGAFQWSA-N 1 0 348.374 4.163 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccc(OC)cc1 ZINC000595004871 1035530685 /nfs/dbraw/zinc/53/06/85/1035530685.db2.gz VBPBHOMMTLCUME-FZKQIMNGSA-N 1 0 344.411 4.414 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)c1ccccn1 ZINC000595047726 1035567722 /nfs/dbraw/zinc/56/77/22/1035567722.db2.gz GBMDYBJAVGAKLE-HUUCEWRRSA-N 1 0 345.468 4.254 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000595047107 1035568553 /nfs/dbraw/zinc/56/85/53/1035568553.db2.gz RCUIZKZSBYHGGP-QWRGUYRKSA-N 1 0 334.338 4.375 20 5 EIBDRO C[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000595047163 1035568699 /nfs/dbraw/zinc/56/86/99/1035568699.db2.gz BAXFPXUIUKXVIE-FZKQIMNGSA-N 1 0 325.412 4.106 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000595091809 1035596986 /nfs/dbraw/zinc/59/69/86/1035596986.db2.gz UJLUWZIIQQSSAO-SJCJKPOMSA-N 1 0 342.395 4.037 20 5 EIBDRO CC(C)[C@H](O)[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000595094098 1035604313 /nfs/dbraw/zinc/60/43/13/1035604313.db2.gz CLOFTLMLYWCDEK-KYNGSXCRSA-N 1 0 328.412 4.004 20 5 EIBDRO CC[C@H]([NH2+][C@@H](c1ccccc1)[C@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595094079 1035605459 /nfs/dbraw/zinc/60/54/59/1035605459.db2.gz BVWCDCRFOYJNHT-SLFFLAALSA-N 1 0 342.439 4.394 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000595097486 1035605852 /nfs/dbraw/zinc/60/58/52/1035605852.db2.gz IWTORJZZNKMJFA-BZOOQXSSSA-N 1 0 338.398 4.474 20 5 EIBDRO Cc1noc(C[N@H+](CCc2ccc(F)cc2)C2CCCC2)c1[N+](=O)[O-] ZINC000595296925 1035626561 /nfs/dbraw/zinc/62/65/61/1035626561.db2.gz ODXRAJSPORMDII-UHFFFAOYSA-N 1 0 347.390 4.018 20 5 EIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)CC3 ZINC000491020909 1035766842 /nfs/dbraw/zinc/76/68/42/1035766842.db2.gz NQQIYKVBUCMSHU-INIZCTEOSA-N 1 0 349.434 4.074 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595781684 1035791025 /nfs/dbraw/zinc/79/10/25/1035791025.db2.gz FMWQROUOUFQYRJ-KXBFYZLASA-N 1 0 332.444 4.245 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)CC(F)(F)F ZINC000596098788 1035817059 /nfs/dbraw/zinc/81/70/59/1035817059.db2.gz TWDHBBAEPWYYQN-SNVBAGLBSA-N 1 0 334.338 4.233 20 5 EIBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1csc2ccccc12 ZINC000502060237 1035821659 /nfs/dbraw/zinc/82/16/59/1035821659.db2.gz DLXUQWLFKVJNPK-UHFFFAOYSA-N 1 0 342.420 4.320 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000485458933 1035893189 /nfs/dbraw/zinc/89/31/89/1035893189.db2.gz SQYOQXKMVLJHOR-AWEZNQCLSA-N 1 0 336.432 4.018 20 5 EIBDRO COCC(C)(C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237150753 1035954447 /nfs/dbraw/zinc/95/44/47/1035954447.db2.gz VWKIEQYCGMQDJK-UHFFFAOYSA-N 1 0 348.374 4.041 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000502324298 1036080750 /nfs/dbraw/zinc/08/07/50/1036080750.db2.gz BWQCGGFMTXMXJW-KBPBESRZSA-N 1 0 326.387 4.331 20 5 EIBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)CC1=CCCOC1 ZINC000597205448 1036161444 /nfs/dbraw/zinc/16/14/44/1036161444.db2.gz FOKBDPOZOPRIQX-UHFFFAOYSA-N 1 0 344.436 4.102 20 5 EIBDRO COC[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000571775770 1036249370 /nfs/dbraw/zinc/24/93/70/1036249370.db2.gz HKFHZEKSOHCXQS-IAGOWNOFSA-N 1 0 346.814 4.213 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000485793456 1036265325 /nfs/dbraw/zinc/26/53/25/1036265325.db2.gz OYMSYEYHJUSOBA-IFXJQAMLSA-N 1 0 344.386 4.177 20 5 EIBDRO COc1cc(C[N@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc(OC)c1 ZINC000485819206 1036301155 /nfs/dbraw/zinc/30/11/55/1036301155.db2.gz AOJABAKQAKIKRK-CQSZACIVSA-N 1 0 344.411 4.113 20 5 EIBDRO COc1cc(C[NH2+][C@H](C)c2ccc3ncsc3c2)ccc1[N+](=O)[O-] ZINC000485823314 1036305513 /nfs/dbraw/zinc/30/55/13/1036305513.db2.gz PDECBTYFUBPYIM-LLVKDONJSA-N 1 0 343.408 4.064 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421374885 1036326210 /nfs/dbraw/zinc/32/62/10/1036326210.db2.gz HYRGBYYRGFVEMS-HOCLYGCPSA-N 1 0 334.485 4.039 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421384204 1036343465 /nfs/dbraw/zinc/34/34/65/1036343465.db2.gz OYMGWVCLNPBWSU-IDJPSDCMSA-N 1 0 332.469 4.121 20 5 EIBDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000421392878 1036360080 /nfs/dbraw/zinc/36/00/80/1036360080.db2.gz VSPRMWLYHCCXEV-KGLIPLIRSA-N 1 0 346.452 4.371 20 5 EIBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)c1ccco1 ZINC000485922418 1036367462 /nfs/dbraw/zinc/36/74/62/1036367462.db2.gz SBJCOYDVEGLQAB-HNNXBMFYSA-N 1 0 347.415 4.080 20 5 EIBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(C(F)F)nc1 ZINC000602438024 1036449250 /nfs/dbraw/zinc/44/92/50/1036449250.db2.gz AEXILDHFXIQDRB-UHFFFAOYSA-N 1 0 335.354 4.338 20 5 EIBDRO CC(C)(C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000588933624 1036606577 /nfs/dbraw/zinc/60/65/77/1036606577.db2.gz JORYLPXGOLPZCF-UHFFFAOYSA-N 1 0 337.423 4.186 20 5 EIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)CC3 ZINC000486521699 1036756471 /nfs/dbraw/zinc/75/64/71/1036756471.db2.gz WSMCICSKWUJARK-ZDUSSCGKSA-N 1 0 341.436 4.093 20 5 EIBDRO COc1cccc(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000060998702 1036758150 /nfs/dbraw/zinc/75/81/50/1036758150.db2.gz WEMGSRSGTJNKQJ-UHFFFAOYSA-N 1 0 328.412 4.059 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC13CCSCC3)CCC2 ZINC000421889278 1036835162 /nfs/dbraw/zinc/83/51/62/1036835162.db2.gz UIYQCHRRHUVSGO-WMLDXEAASA-N 1 0 332.469 4.095 20 5 EIBDRO CC[C@@H]([NH2+]C[C@H](OC)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000599059340 1036864957 /nfs/dbraw/zinc/86/49/57/1036864957.db2.gz AIVLWQZNSWNTHD-MOPGFXCFSA-N 1 0 344.411 4.032 20 5 EIBDRO CC[C@H]([NH2+]C[C@@H](OC)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000599059364 1036865206 /nfs/dbraw/zinc/86/52/06/1036865206.db2.gz AIVLWQZNSWNTHD-RBUKOAKNSA-N 1 0 344.411 4.032 20 5 EIBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486802295 1036865271 /nfs/dbraw/zinc/86/52/71/1036865271.db2.gz WUWIAQGUIYBLLD-XJKSGUPXSA-N 1 0 344.415 4.045 20 5 EIBDRO COc1ccc([C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)cn1 ZINC000599094825 1036876682 /nfs/dbraw/zinc/87/66/82/1036876682.db2.gz YXWDCGHMCJNDGT-ORAYPTAESA-N 1 0 341.411 4.109 20 5 EIBDRO COc1ccc([C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C2CC2)cn1 ZINC000599095931 1036876744 /nfs/dbraw/zinc/87/67/44/1036876744.db2.gz JITORGYYHRSQMR-ORAYPTAESA-N 1 0 341.411 4.109 20 5 EIBDRO COc1ccc([C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C2CC2)cn1 ZINC000599095708 1036876952 /nfs/dbraw/zinc/87/69/52/1036876952.db2.gz HPCKOZONCIXXCZ-YJYMSZOUSA-N 1 0 341.411 4.109 20 5 EIBDRO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000603836968 1037020241 /nfs/dbraw/zinc/02/02/41/1037020241.db2.gz FZCHAIFLTDECAL-AWEZNQCLSA-N 1 0 340.379 4.413 20 5 EIBDRO Cc1c(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000603838653 1037020403 /nfs/dbraw/zinc/02/04/03/1037020403.db2.gz DTUWLBAYRNFPBF-UHFFFAOYSA-N 1 0 326.371 4.332 20 5 EIBDRO Cc1cc(NC[C@H](c2ccco2)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000603837634 1037031254 /nfs/dbraw/zinc/03/12/54/1037031254.db2.gz XAFVTCDHTKKETD-QGZVFWFLSA-N 1 0 329.400 4.135 20 5 EIBDRO COC1(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCCCC1 ZINC000487186066 1037032551 /nfs/dbraw/zinc/03/25/51/1037032551.db2.gz MOOBUKYNBJOPDN-UHFFFAOYSA-N 1 0 346.349 4.053 20 5 EIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000603842017 1037034416 /nfs/dbraw/zinc/03/44/16/1037034416.db2.gz ASJVCMIQUWGNBQ-UHFFFAOYSA-N 1 0 338.329 4.288 20 5 EIBDRO COC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000487200060 1037045016 /nfs/dbraw/zinc/04/50/16/1037045016.db2.gz PBVYMYQXXLNRSD-UKINESCASA-N 1 0 346.814 4.239 20 5 EIBDRO C[C@@H](c1ccccc1Cl)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000603856674 1037049108 /nfs/dbraw/zinc/04/91/08/1037049108.db2.gz RLJLMGSFTIQSCN-ZDUSSCGKSA-N 1 0 334.803 4.320 20 5 EIBDRO COc1cc(CNC2(c3c(F)cccc3F)CCC2)ccc1[N+](=O)[O-] ZINC000599702745 1037127821 /nfs/dbraw/zinc/12/78/21/1037127821.db2.gz YTODQBZFNCETFG-UHFFFAOYSA-N 1 0 348.349 4.051 20 5 EIBDRO C[C@H](c1ccccc1F)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604013584 1037147985 /nfs/dbraw/zinc/14/79/85/1037147985.db2.gz RCVUEZSDRCSKQZ-CQSZACIVSA-N 1 0 332.375 4.196 20 5 EIBDRO C[C@H]1CSCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000488400436 1037566059 /nfs/dbraw/zinc/56/60/59/1037566059.db2.gz TUJFUWWRUVGEIX-CYBMUJFWSA-N 1 0 332.425 4.040 20 5 EIBDRO Cc1ccncc1CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000570152511 1037575264 /nfs/dbraw/zinc/57/52/64/1037575264.db2.gz VSFLYEPJEYHOCA-UHFFFAOYSA-N 1 0 327.428 4.141 20 5 EIBDRO CC[C@H]([NH2+]C1(c2ccccc2OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000592395015 1037784772 /nfs/dbraw/zinc/78/47/72/1037784772.db2.gz TWCHNAGGGWPUHG-KRWDZBQOSA-N 1 0 326.396 4.333 20 5 EIBDRO CC[C@@H]([NH2+]C1(c2ccccc2OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000592395016 1037785259 /nfs/dbraw/zinc/78/52/59/1037785259.db2.gz TWCHNAGGGWPUHG-QGZVFWFLSA-N 1 0 326.396 4.333 20 5 EIBDRO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000503862019 1037948669 /nfs/dbraw/zinc/94/86/69/1037948669.db2.gz QRKYSAIJGFMGAS-RBSFLKMASA-N 1 0 328.359 4.186 20 5 EIBDRO CCC[C@@H]([NH2+][C@H](CCO)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000592401850 1038001469 /nfs/dbraw/zinc/00/14/69/1038001469.db2.gz DARBJLVWOXUETE-RTBURBONSA-N 1 0 346.402 4.288 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000503951125 1038043339 /nfs/dbraw/zinc/04/33/39/1038043339.db2.gz DOJKPPKXTUDJBC-JGGQBBKZSA-N 1 0 342.386 4.056 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCOC2CCCC2)c2ccccc2)c1 ZINC000490125869 1038351224 /nfs/dbraw/zinc/35/12/24/1038351224.db2.gz SAPJBGQAOGEHCA-HXUWFJFHSA-N 1 0 340.423 4.233 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000594519882 1038359840 /nfs/dbraw/zinc/35/98/40/1038359840.db2.gz MKXQIPFTNPACIV-GOEBONIOSA-N 1 0 348.443 4.136 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)CC(C)(C)C ZINC000063511881 1038411054 /nfs/dbraw/zinc/41/10/54/1038411054.db2.gz YIHYMYHYXUPTQX-UHFFFAOYSA-N 1 0 335.448 4.036 20 5 EIBDRO CCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC1CCCCC1 ZINC000063558984 1038436462 /nfs/dbraw/zinc/43/64/62/1038436462.db2.gz DCXFAHPDMAAUAE-UHFFFAOYSA-N 1 0 347.459 4.134 20 5 EIBDRO C[C@]1(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1(F)F ZINC000594978815 1038490381 /nfs/dbraw/zinc/49/03/81/1038490381.db2.gz WMIHDCBHZJKHSS-INIZCTEOSA-N 1 0 336.338 4.380 20 5 EIBDRO CCC[C@@H]([NH2+]CCSCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000539050500 1038798075 /nfs/dbraw/zinc/79/80/75/1038798075.db2.gz HEJQALARBCNKRP-CYBMUJFWSA-N 1 0 336.379 4.321 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000539059683 1038806044 /nfs/dbraw/zinc/80/60/44/1038806044.db2.gz DGFOZHHUNYOIAC-NUEKZKHPSA-N 1 0 338.398 4.474 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000539063128 1038808521 /nfs/dbraw/zinc/80/85/21/1038808521.db2.gz SVFLSXQHRRKOEX-LXTVHRRPSA-N 1 0 338.473 4.011 20 5 EIBDRO O=[N+]([O-])c1ccc(NC2CC([NH+]3CCCCC3)C2)c(C(F)(F)F)c1 ZINC000480826619 1038828262 /nfs/dbraw/zinc/82/82/62/1038828262.db2.gz LJMIBTNKODHTDB-UHFFFAOYSA-N 1 0 343.349 4.042 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CCSCC)cc1[N+](=O)[O-] ZINC000504899463 1038834116 /nfs/dbraw/zinc/83/41/16/1038834116.db2.gz HCPUIBNLYMRLCI-OLZOCXBDSA-N 1 0 326.462 4.176 20 5 EIBDRO Cc1ccc(C(=O)CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000480871861 1038848335 /nfs/dbraw/zinc/84/83/35/1038848335.db2.gz VSADSPNZTHAIAW-HNNXBMFYSA-N 1 0 326.396 4.135 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)c3c2cccc3C)cc1[N+](=O)[O-] ZINC000504911293 1038848793 /nfs/dbraw/zinc/84/87/93/1038848793.db2.gz DKUNLUXYHDXPTA-XJKSGUPXSA-N 1 0 326.396 4.250 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccn1 ZINC000504925963 1038857797 /nfs/dbraw/zinc/85/77/97/1038857797.db2.gz GBYMSCRSCWDRLS-KGLIPLIRSA-N 1 0 331.441 4.211 20 5 EIBDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000608974192 1038985494 /nfs/dbraw/zinc/98/54/94/1038985494.db2.gz YLGHYZZSALBKQV-UHFFFAOYSA-N 1 0 345.468 4.005 20 5 EIBDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000608977638 1038987678 /nfs/dbraw/zinc/98/76/78/1038987678.db2.gz XBCONIPBDXNNOF-GOSISDBHSA-N 1 0 340.423 4.373 20 5 EIBDRO C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000552043949 1039065013 /nfs/dbraw/zinc/06/50/13/1039065013.db2.gz HXMFSAVZPVLCHE-ZDUSSCGKSA-N 1 0 334.366 4.026 20 5 EIBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)n1 ZINC000478051594 1039374407 /nfs/dbraw/zinc/37/44/07/1039374407.db2.gz BVGXBLDWRNOIGP-INIZCTEOSA-N 1 0 348.834 4.062 20 5 EIBDRO COc1cc(C[NH+]2CCC(F)(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000434495869 1039546140 /nfs/dbraw/zinc/54/61/40/1039546140.db2.gz ZTQBNKABAZHPFY-UHFFFAOYSA-N 1 0 344.386 4.064 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cccc2[nH]ccc21 ZINC000478324974 1039656522 /nfs/dbraw/zinc/65/65/22/1039656522.db2.gz RWCAZYBVMOARRX-UHFFFAOYSA-N 1 0 329.787 4.062 20 5 EIBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1cc2ccccc2o1 ZINC000478409259 1039738326 /nfs/dbraw/zinc/73/83/26/1039738326.db2.gz XXKMNBVEFMXHRA-AWEZNQCLSA-N 1 0 342.399 4.011 20 5 EIBDRO COc1cc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccc1SC ZINC000478476310 1039771589 /nfs/dbraw/zinc/77/15/89/1039771589.db2.gz BSEISNCEDYHPEG-CYBMUJFWSA-N 1 0 346.452 4.485 20 5 EIBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])nc1)c1ccccc1Cl ZINC000555877541 1039777028 /nfs/dbraw/zinc/77/70/28/1039777028.db2.gz WKADJDGRYNFCPV-MRXNPFEDSA-N 1 0 348.834 4.138 20 5 EIBDRO Cc1c([C@H](C)[NH2+]CCc2ccc3ccccc3n2)cccc1[N+](=O)[O-] ZINC000481719285 1039798170 /nfs/dbraw/zinc/79/81/70/1039798170.db2.gz BQXNEMFETDIHAL-HNNXBMFYSA-N 1 0 335.407 4.345 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1F ZINC000192618545 1039823806 /nfs/dbraw/zinc/82/38/06/1039823806.db2.gz ZBBDPKYAUOBIFM-XIKOKIGWSA-N 1 0 344.386 4.471 20 5 EIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C2CCC3(CC3)CC2)c1 ZINC000434779071 1039864230 /nfs/dbraw/zinc/86/42/30/1039864230.db2.gz VDUPMIAJTAJVQA-UHFFFAOYSA-N 1 0 326.343 4.009 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCCO1 ZINC000535192132 1040034498 /nfs/dbraw/zinc/03/44/98/1040034498.db2.gz PQSJKZIYAQTPGL-IRXDYDNUSA-N 1 0 346.452 4.371 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]CCc2c[nH]c3cc(F)ccc23)cccc1[N+](=O)[O-] ZINC000482123810 1040036293 /nfs/dbraw/zinc/03/62/93/1040036293.db2.gz WQXKFWBOIBBAQM-CYBMUJFWSA-N 1 0 341.386 4.417 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCCO1 ZINC000535201394 1040045557 /nfs/dbraw/zinc/04/55/57/1040045557.db2.gz KJQJERCDHZOTJX-NVXWUHKLSA-N 1 0 346.452 4.371 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000551272742 1040137727 /nfs/dbraw/zinc/13/77/27/1040137727.db2.gz PDIHVCIUDHSHDN-UFYCRDLUSA-N 1 0 336.435 4.309 20 5 EIBDRO CCCC[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000514831658 1040278296 /nfs/dbraw/zinc/27/82/96/1040278296.db2.gz PSXMGNMZYHJVBH-LLVKDONJSA-N 1 0 346.374 4.215 20 5 EIBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000482497110 1040292024 /nfs/dbraw/zinc/29/20/24/1040292024.db2.gz YMCYORPMORZZDG-WBMJQRKESA-N 1 0 331.441 4.339 20 5 EIBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000482497107 1040292985 /nfs/dbraw/zinc/29/29/85/1040292985.db2.gz YMCYORPMORZZDG-BLLLJJGKSA-N 1 0 331.441 4.339 20 5 EIBDRO CCOc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000152793003 1040442899 /nfs/dbraw/zinc/44/28/99/1040442899.db2.gz CGAKHLLTRDZIHB-CYBMUJFWSA-N 1 0 332.375 4.292 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000515073759 1040476108 /nfs/dbraw/zinc/47/61/08/1040476108.db2.gz STHQZJRDWQLFQW-MOXGXCLJSA-N 1 0 338.407 4.092 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+](C3CC3)C3CCCC3)co2)cc1 ZINC000089896792 1040516630 /nfs/dbraw/zinc/51/66/30/1040516630.db2.gz ZSCCIIFSBMOLOK-UHFFFAOYSA-N 1 0 327.384 4.157 20 5 EIBDRO C[C@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000435671352 1040534540 /nfs/dbraw/zinc/53/45/40/1040534540.db2.gz CJKKMNUSHSGRHV-YLVFBTJISA-N 1 0 332.350 4.470 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)C1CC1 ZINC000482892535 1040537172 /nfs/dbraw/zinc/53/71/72/1040537172.db2.gz PWROYWNSGBANGT-UYAOXDASSA-N 1 0 336.435 4.236 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000435731466 1040568322 /nfs/dbraw/zinc/56/83/22/1040568322.db2.gz JUPDZYPZIXPCHZ-FLRDBXOZSA-N 1 0 344.361 4.422 20 5 EIBDRO CSc1ccc(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000435751396 1040583323 /nfs/dbraw/zinc/58/33/23/1040583323.db2.gz RQJRXHOPABWDPO-GQCTYLIASA-N 1 0 328.437 4.162 20 5 EIBDRO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000435740009 1040592868 /nfs/dbraw/zinc/59/28/68/1040592868.db2.gz IDNPZGYINWEMBB-HUUCEWRRSA-N 1 0 326.462 4.120 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435740972 1040594573 /nfs/dbraw/zinc/59/45/73/1040594573.db2.gz MVLNQWAFYLXXSW-YSBKITDCSA-N 1 0 326.371 4.283 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000152862494 1040648324 /nfs/dbraw/zinc/64/83/24/1040648324.db2.gz DGCCNTQOTNEKCN-IUODEOHRSA-N 1 0 330.384 4.315 20 5 EIBDRO CC(C)C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000515365270 1040702233 /nfs/dbraw/zinc/70/22/33/1040702233.db2.gz PZCOUWVVPUPXGS-WDYCEAGBSA-N 1 0 332.444 4.156 20 5 EIBDRO Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000443218873 1040801715 /nfs/dbraw/zinc/80/17/15/1040801715.db2.gz UOECOSKSRIFQRM-FTRWYGJKSA-N 1 0 341.455 4.245 20 5 EIBDRO C[C@H]1C[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000537775799 1040830323 /nfs/dbraw/zinc/83/03/23/1040830323.db2.gz RWQDOEGCORIONE-KBPBESRZSA-N 1 0 346.452 4.228 20 5 EIBDRO COc1ccc(C[N@H+](C)Cc2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000515540263 1040842087 /nfs/dbraw/zinc/84/20/87/1040842087.db2.gz SXBHMGJVNPZYTR-UHFFFAOYSA-N 1 0 328.412 4.359 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000483442375 1040861971 /nfs/dbraw/zinc/86/19/71/1040861971.db2.gz UWQMVKNBJRFMNL-RDTXWAMCSA-N 1 0 340.423 4.289 20 5 EIBDRO CC(C)c1ccc(CN[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000462748626 1040895911 /nfs/dbraw/zinc/89/59/11/1040895911.db2.gz DSTYMPLQZDGQBH-GOSISDBHSA-N 1 0 345.487 4.072 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H](c2ccccc2)[C@@H](O)C(C)C)cccc1[N+](=O)[O-] ZINC000595097598 1040898419 /nfs/dbraw/zinc/89/84/19/1040898419.db2.gz YXKLCZLNBAEEET-YSSFQJQWSA-N 1 0 342.439 4.312 20 5 EIBDRO CCOc1cccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000462759147 1040907757 /nfs/dbraw/zinc/90/77/57/1040907757.db2.gz GPTHCNIWXNTWTI-UHFFFAOYSA-N 1 0 328.412 4.106 20 5 EIBDRO CC[C@@H]([NH2+]C[C@H](C)Oc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000483631871 1040921259 /nfs/dbraw/zinc/92/12/59/1040921259.db2.gz CJAWPTLDBLAOBX-IFXJQAMLSA-N 1 0 344.411 4.112 20 5 EIBDRO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000483687096 1040956846 /nfs/dbraw/zinc/95/68/46/1040956846.db2.gz RNEJAKPXWSDUFW-YSSFQJQWSA-N 1 0 340.423 4.474 20 5 EIBDRO Cc1ccc([C@@H]2OCCC[C@H]2[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000483700134 1040966627 /nfs/dbraw/zinc/96/66/27/1040966627.db2.gz OTOKISHBZHRVCS-BEVDRBHNSA-N 1 0 340.423 4.474 20 5 EIBDRO CC(C)(CCCO)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540066669 1041071377 /nfs/dbraw/zinc/07/13/77/1041071377.db2.gz INLAPJBMWSQNKM-UHFFFAOYSA-N 1 0 348.468 4.212 20 5 EIBDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000540067829 1041072014 /nfs/dbraw/zinc/07/20/14/1041072014.db2.gz YBHBIDSPFLGDFE-KXBFYZLASA-N 1 0 344.411 4.148 20 5 EIBDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000540067827 1041072042 /nfs/dbraw/zinc/07/20/42/1041072042.db2.gz YBHBIDSPFLGDFE-DNVCBOLYSA-N 1 0 344.411 4.148 20 5 EIBDRO CC[NH+](CC)[C@@H](CNc1cc(OC)ccc1[N+](=O)[O-])c1ccsc1 ZINC000462921123 1041088558 /nfs/dbraw/zinc/08/85/58/1041088558.db2.gz YVBXKAMBHZOERG-KRWDZBQOSA-N 1 0 349.456 4.160 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccccc1[N+](=O)[O-] ZINC000538158218 1041103259 /nfs/dbraw/zinc/10/32/59/1041103259.db2.gz DOERZYRWTDRDMX-LSDHHAIUSA-N 1 0 336.395 4.192 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000540136524 1041178415 /nfs/dbraw/zinc/17/84/15/1041178415.db2.gz PGWXLMSLBUEKTC-XAUMDUMWSA-N 1 0 340.423 4.332 20 5 EIBDRO COc1cccc(C[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000540173401 1041218775 /nfs/dbraw/zinc/21/87/75/1041218775.db2.gz DKWVWQLENARAKM-UKRRQHHQSA-N 1 0 328.412 4.194 20 5 EIBDRO CCOC(C)(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000436410900 1041229851 /nfs/dbraw/zinc/22/98/51/1041229851.db2.gz MWIJGFPXLWIYDR-UHFFFAOYSA-N 1 0 334.441 4.228 20 5 EIBDRO C[C@@H]([NH2+]C[C@H]1SCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000484483325 1041255117 /nfs/dbraw/zinc/25/51/17/1041255117.db2.gz GINVSTWHDZEHSZ-FZKQIMNGSA-N 1 0 328.437 4.276 20 5 EIBDRO CC[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000484491914 1041264923 /nfs/dbraw/zinc/26/49/23/1041264923.db2.gz JSYJALGZOUXGRN-CZUORRHYSA-N 1 0 332.375 4.242 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc(Cl)s1)C1CC1 ZINC000540193658 1041269330 /nfs/dbraw/zinc/26/93/30/1041269330.db2.gz BWJMVAISLBQTKD-AWEZNQCLSA-N 1 0 336.844 4.421 20 5 EIBDRO COc1cc(C)ccc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000484500328 1041280227 /nfs/dbraw/zinc/28/02/27/1041280227.db2.gz HVNBSIHUAKIBIF-GOSISDBHSA-N 1 0 340.423 4.023 20 5 EIBDRO Cc1c(C[NH2+]Cc2cnc(-c3ccccc3)s2)cccc1[N+](=O)[O-] ZINC000480461723 1041315626 /nfs/dbraw/zinc/31/56/26/1041315626.db2.gz ADAXXSUJBJVOHO-UHFFFAOYSA-N 1 0 339.420 4.317 20 5 EIBDRO Cc1[nH]c2c(cc(C)cc2C[NH2+]Cc2csc([N+](=O)[O-])c2)c1C ZINC000538410113 1041327491 /nfs/dbraw/zinc/32/74/91/1041327491.db2.gz XWDMFRZPGQDTJG-UHFFFAOYSA-N 1 0 329.425 4.353 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000538409957 1041328013 /nfs/dbraw/zinc/32/80/13/1041328013.db2.gz HLHJVJLXSUANHU-UHFFFAOYSA-N 1 0 340.423 4.159 20 5 EIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1C[C@H]1c1ccccc1 ZINC000554742307 1041372066 /nfs/dbraw/zinc/37/20/66/1041372066.db2.gz SCAGCNXPISBXKQ-CCKFTAQKSA-N 1 0 349.434 4.400 20 5 EIBDRO Cc1cc(N2CC[C@H](C(F)(F)F)[C@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000480556016 1041389638 /nfs/dbraw/zinc/38/96/38/1041389638.db2.gz PQLUYVPELASYED-MFKMUULPSA-N 1 0 339.317 4.229 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc(C)cc1C[NH+](C)C ZINC000470169314 1041392528 /nfs/dbraw/zinc/39/25/28/1041392528.db2.gz DIQQFSQBCCLHCD-YBEGLDIGSA-N 1 0 339.439 4.480 20 5 EIBDRO COc1ccccc1C[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470171270 1041440720 /nfs/dbraw/zinc/44/07/20/1041440720.db2.gz HMRFZGSSMACSRZ-RVDMUPIBSA-N 1 0 326.396 4.139 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C[NH+](C)C)c1 ZINC000924798474 1041489469 /nfs/dbraw/zinc/48/94/69/1041489469.db2.gz OAFBBUAOVYQVGB-HUUCEWRRSA-N 1 0 327.428 4.068 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C/C=C/c3ccc(F)cc3)c2c1 ZINC000516441057 1041578257 /nfs/dbraw/zinc/57/82/57/1041578257.db2.gz REZQLDQTVBNQIN-OWOJBTEDSA-N 1 0 339.370 4.061 20 5 EIBDRO COc1ccc(C2([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000540722983 1041619671 /nfs/dbraw/zinc/61/96/71/1041619671.db2.gz FOWQPNZWBHDANA-AWEZNQCLSA-N 1 0 326.396 4.252 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCOC3(CCCC3)C1)CCC2 ZINC000193028980 1041818845 /nfs/dbraw/zinc/81/88/45/1041818845.db2.gz FCDOQOAUJFVWJE-MAUKXSAKSA-N 1 0 330.428 4.054 20 5 EIBDRO CCC[C@H](N[C@@H](c1ccccc1F)[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000517035863 1041844431 /nfs/dbraw/zinc/84/44/31/1041844431.db2.gz RJYOVNOQTVDPRV-FASAQXTFSA-N 1 0 346.402 4.287 20 5 EIBDRO C[C@@H]([NH2+]C1(CNc2ncc([N+](=O)[O-])s2)CCCC1)c1ccccc1 ZINC000443496367 1041859803 /nfs/dbraw/zinc/85/98/03/1041859803.db2.gz BEPMKAWFQHVWND-CYBMUJFWSA-N 1 0 346.456 4.127 20 5 EIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(Nc2ncc([N+](=O)[O-])s2)cc1 ZINC000443512440 1041872627 /nfs/dbraw/zinc/87/26/27/1041872627.db2.gz UFZQIDOABQBRQO-LBPRGKRZSA-N 1 0 332.429 4.169 20 5 EIBDRO C[C@H]1C[C@H](CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000541376164 1041917381 /nfs/dbraw/zinc/91/73/81/1041917381.db2.gz NWVNPWSIOCHZJG-LSDHHAIUSA-N 1 0 344.411 4.150 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCCCS3)cs2)c1 ZINC000541376826 1041917858 /nfs/dbraw/zinc/91/78/58/1041917858.db2.gz CMMARHCJZCOZNK-HNNXBMFYSA-N 1 0 349.481 4.094 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000541770705 1042108663 /nfs/dbraw/zinc/10/86/63/1042108663.db2.gz IPGVRSXIKIBNAT-KRWDZBQOSA-N 1 0 346.452 4.146 20 5 EIBDRO Cn1cc(C[N@@H+]2CCCCC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000438351711 1042142095 /nfs/dbraw/zinc/14/20/95/1042142095.db2.gz HXFFGNLTPRIQNX-UHFFFAOYSA-N 1 0 342.443 4.007 20 5 EIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCCc3ccccc3)CC2)cc1 ZINC000464771950 1042150893 /nfs/dbraw/zinc/15/08/93/1042150893.db2.gz DINYPWVWXSMXAL-UHFFFAOYSA-N 1 0 340.423 4.071 20 5 EIBDRO CC[C@@]1(C)CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000464776955 1042158394 /nfs/dbraw/zinc/15/83/94/1042158394.db2.gz LMLPSCUXDOGOJG-IBGZPJMESA-N 1 0 343.427 4.304 20 5 EIBDRO C[C@H](c1cccc(F)c1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464778136 1042159149 /nfs/dbraw/zinc/15/91/49/1042159149.db2.gz RAQNLTHPOGPHCG-CQSZACIVSA-N 1 0 344.386 4.338 20 5 EIBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000464790968 1042169368 /nfs/dbraw/zinc/16/93/68/1042169368.db2.gz FKSKVMMXKWFXEU-MRXNPFEDSA-N 1 0 336.432 4.495 20 5 EIBDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CS1 ZINC000426005212 1042180120 /nfs/dbraw/zinc/18/01/20/1042180120.db2.gz XMISXVQTARWOQR-OCCSQVGLSA-N 1 0 348.390 4.233 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000153050737 1042234181 /nfs/dbraw/zinc/23/41/81/1042234181.db2.gz XEFCTPMFMPHALQ-OLZOCXBDSA-N 1 0 332.425 4.153 20 5 EIBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000509554943 1042364488 /nfs/dbraw/zinc/36/44/88/1042364488.db2.gz HYRFGWYQTAKLEN-JOZWUWCOSA-N 1 0 326.396 4.397 20 5 EIBDRO CCOCc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000151631232 1042449174 /nfs/dbraw/zinc/44/91/74/1042449174.db2.gz YSQNFCHLWHEMMV-OAHLLOKOSA-N 1 0 328.412 4.291 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000271843108 1042450441 /nfs/dbraw/zinc/45/04/41/1042450441.db2.gz WFGWYWPKKIICNG-XJKSGUPXSA-N 1 0 344.411 4.414 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000271843106 1042451516 /nfs/dbraw/zinc/45/15/16/1042451516.db2.gz WFGWYWPKKIICNG-CZUORRHYSA-N 1 0 344.411 4.414 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](CCc2ccccc2)Cc2cccnc2)cc1 ZINC000518440495 1042529579 /nfs/dbraw/zinc/52/95/79/1042529579.db2.gz WFVYTIRKXUGLHJ-UHFFFAOYSA-N 1 0 347.418 4.235 20 5 EIBDRO CCOc1cc(C[NH2+][C@@H](c2ccccc2)C(C)C)ccc1[N+](=O)[O-] ZINC000492530066 1042683961 /nfs/dbraw/zinc/68/39/61/1042683961.db2.gz DBXWZSBNQUQDJM-LJQANCHMSA-N 1 0 328.412 4.480 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000506639293 1042718405 /nfs/dbraw/zinc/71/84/05/1042718405.db2.gz ITYZIWAXIWQBSV-HYXAFXHYSA-N 1 0 338.407 4.193 20 5 EIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H](C)Cc1ccsc1 ZINC000426491894 1042762770 /nfs/dbraw/zinc/76/27/70/1042762770.db2.gz LEMNNSYGYCYCQJ-CYBMUJFWSA-N 1 0 334.441 4.118 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1ccc(O)cc1)CC1CC1 ZINC000519033119 1042796649 /nfs/dbraw/zinc/79/66/49/1042796649.db2.gz HGOQMKRQWPMTON-UHFFFAOYSA-N 1 0 326.396 4.021 20 5 EIBDRO CCCOc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000473993171 1042869138 /nfs/dbraw/zinc/86/91/38/1042869138.db2.gz VFBUWGWOPINKSS-UHFFFAOYSA-N 1 0 328.412 4.290 20 5 EIBDRO Cc1cc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000493318129 1042895796 /nfs/dbraw/zinc/89/57/96/1042895796.db2.gz FTMKXXQIXWAAMD-HNNXBMFYSA-N 1 0 345.468 4.289 20 5 EIBDRO CCOc1cc(C[NH2+][C@H](CC(F)(F)F)C(C)C)ccc1[N+](=O)[O-] ZINC000493540448 1042931935 /nfs/dbraw/zinc/93/19/35/1042931935.db2.gz AKEIGHOAXFOIOB-GFCCVEGCSA-N 1 0 334.338 4.060 20 5 EIBDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000441638262 1042947257 /nfs/dbraw/zinc/94/72/57/1042947257.db2.gz WVOKCJFVONCTSZ-HNNXBMFYSA-N 1 0 344.415 4.045 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](c1ccccc1)C(C)C ZINC000303567919 1043073001 /nfs/dbraw/zinc/07/30/01/1043073001.db2.gz XZUHXPLSCHPVFG-IBGZPJMESA-N 1 0 328.412 4.433 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000554947369 1043102055 /nfs/dbraw/zinc/10/20/55/1043102055.db2.gz ZENVQQQLCFXIIU-FOIQADDNSA-N 1 0 338.407 4.126 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCOc3ccccc32)cccc1[N+](=O)[O-] ZINC000133566088 1043275843 /nfs/dbraw/zinc/27/58/43/1043275843.db2.gz VMQSHLHFIOKXEL-RHSMWYFYSA-N 1 0 326.396 4.468 20 5 EIBDRO COCCCC[N@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000065165542 1043279604 /nfs/dbraw/zinc/27/96/04/1043279604.db2.gz GKAICKNMAWJURZ-UHFFFAOYSA-N 1 0 328.412 4.024 20 5 EIBDRO CCC[N@H+](C)C[C@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000429199365 1043291488 /nfs/dbraw/zinc/29/14/88/1043291488.db2.gz BKPHWUDSWHSHEJ-LLVKDONJSA-N 1 0 346.258 4.070 20 5 EIBDRO COc1cc(C[N@H+](C)C/C(C)=C\c2ccccc2)ccc1[N+](=O)[O-] ZINC000494232558 1043374169 /nfs/dbraw/zinc/37/41/69/1043374169.db2.gz BFWNFWDVADMZRA-PTNGSMBKSA-N 1 0 326.396 4.139 20 5 EIBDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000520978821 1043478316 /nfs/dbraw/zinc/47/83/16/1043478316.db2.gz JPGBJLQCIYIIAP-LBPRGKRZSA-N 1 0 338.329 4.334 20 5 EIBDRO CCC[C@H]([NH2+]Cc1ccnc(SC)c1)c1cccc([N+](=O)[O-])c1 ZINC000357848711 1043490457 /nfs/dbraw/zinc/49/04/57/1043490457.db2.gz IBLBSGCRQWRZAP-INIZCTEOSA-N 1 0 331.441 4.343 20 5 EIBDRO CC(C)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCc1nccs1 ZINC000255597514 1043647757 /nfs/dbraw/zinc/64/77/57/1043647757.db2.gz RCAPVWLOZBMCHD-ALCCZGGFSA-N 1 0 331.441 4.018 20 5 EIBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H](C)c1ccccc1 ZINC000521220912 1043656690 /nfs/dbraw/zinc/65/66/90/1043656690.db2.gz VKZAITMXFDDUOH-MRXNPFEDSA-N 1 0 328.412 4.113 20 5 EIBDRO C[C@@H](CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])OCc1ccccc1 ZINC000429235127 1043816377 /nfs/dbraw/zinc/81/63/77/1043816377.db2.gz HZWYYPWQLXJEOG-INIZCTEOSA-N 1 0 342.439 4.415 20 5 EIBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000442890936 1043886648 /nfs/dbraw/zinc/88/66/48/1043886648.db2.gz PUPMYELISFLGNQ-CYBMUJFWSA-N 1 0 326.352 4.071 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000173329846 1043894459 /nfs/dbraw/zinc/89/44/59/1043894459.db2.gz SAZDNMYANPDYNI-CQSZACIVSA-N 1 0 341.411 4.162 20 5 EIBDRO CCC[NH+](CCC)CCCC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000521751657 1043938787 /nfs/dbraw/zinc/93/87/87/1043938787.db2.gz ASWJQFUCJQREMQ-UHFFFAOYSA-N 1 0 335.448 4.052 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173453712 1043974942 /nfs/dbraw/zinc/97/49/42/1043974942.db2.gz SONGFASTMBKZIP-GJZGRUSLSA-N 1 0 336.395 4.192 20 5 EIBDRO COC[C@@](C)(O)C[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC000732672328 1043981793 /nfs/dbraw/zinc/98/17/93/1043981793.db2.gz GSSNIUBGSUPDLC-FQEVSTJZSA-N 1 0 343.854 4.133 20 5 EIBDRO Cc1ccc(C[NH2+]CCc2csc3ccccc23)cc1[N+](=O)[O-] ZINC000521828422 1043998320 /nfs/dbraw/zinc/99/83/20/1043998320.db2.gz DAYHDSZQPOKPLX-UHFFFAOYSA-N 1 0 326.421 4.450 20 5 EIBDRO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC(C)(C)C1 ZINC000543171532 1044036565 /nfs/dbraw/zinc/03/65/65/1044036565.db2.gz GDZMEDIFOZDTGL-ZDUSSCGKSA-N 1 0 329.400 4.118 20 5 EIBDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494762413 1044079490 /nfs/dbraw/zinc/07/94/90/1044079490.db2.gz YQXXXASTJHGWJO-ACJLOTCBSA-N 1 0 348.830 4.157 20 5 EIBDRO CCCO[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116279347 1044156486 /nfs/dbraw/zinc/15/64/86/1044156486.db2.gz AAOVCSYJJVIHOO-HNNXBMFYSA-N 1 0 326.824 4.029 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]4CCC[C@H]43)co2)cc1 ZINC000245918251 1044213023 /nfs/dbraw/zinc/21/30/23/1044213023.db2.gz SHHYSXSLWGOPJG-SUMWQHHRSA-N 1 0 327.384 4.014 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000245977742 1044221118 /nfs/dbraw/zinc/22/11/18/1044221118.db2.gz AJSJHWMKOOZLFH-IGNZVWTISA-N 1 0 346.814 4.429 20 5 EIBDRO C[C@H](O)CC(C)(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000174465565 1044276254 /nfs/dbraw/zinc/27/62/54/1044276254.db2.gz MCPDDOWBVOXRGV-ZDUSSCGKSA-N 1 0 348.468 4.210 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)[C@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000246425426 1044308332 /nfs/dbraw/zinc/30/83/32/1044308332.db2.gz NMGFWYOBLZKKLQ-XWIAVFTESA-N 1 0 326.396 4.200 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000246436692 1044310824 /nfs/dbraw/zinc/31/08/24/1044310824.db2.gz OGFMDQILCKPSLN-GRDNDAEWSA-N 1 0 326.396 4.119 20 5 EIBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CS1 ZINC000754141659 1044331190 /nfs/dbraw/zinc/33/11/90/1044331190.db2.gz FMTZYENRRDEGIR-SMDDNHRTSA-N 1 0 328.865 4.258 20 5 EIBDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000466420409 1044442319 /nfs/dbraw/zinc/44/23/19/1044442319.db2.gz AMFKUIGAAKFHCF-JSGCOSHPSA-N 1 0 331.441 4.244 20 5 EIBDRO CCC[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000466476681 1044582511 /nfs/dbraw/zinc/58/25/11/1044582511.db2.gz YNHWDHLFZMOBJO-HNNXBMFYSA-N 1 0 343.427 4.304 20 5 EIBDRO CCc1ccc([C@@H]([NH2+]C[C@H]2CCCS2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544359264 1044623396 /nfs/dbraw/zinc/62/33/96/1044623396.db2.gz HOZSXVDBFJWZPX-AEFFLSMTSA-N 1 0 346.452 4.325 20 5 EIBDRO C[N@@H+]1CCC[C@H](CNc2sccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301998242 1044663041 /nfs/dbraw/zinc/66/30/41/1044663041.db2.gz IFRBMDFWHJLNBH-BXUZGUMPSA-N 1 0 337.470 4.213 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCc3ccccc3C2)c1 ZINC000735323576 1044790357 /nfs/dbraw/zinc/79/03/57/1044790357.db2.gz FAVHRRLBJNQPNT-ZDUSSCGKSA-N 1 0 330.815 4.143 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000508006891 1044838000 /nfs/dbraw/zinc/83/80/00/1044838000.db2.gz AFDMOJKPVICEAO-VURMDHGXSA-N 1 0 338.407 4.151 20 5 EIBDRO CSC[C@H]1CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093760660 1044853004 /nfs/dbraw/zinc/85/30/04/1044853004.db2.gz YYIKGMYHZBSNRV-OAHLLOKOSA-N 1 0 349.481 4.046 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000543626496 1044974167 /nfs/dbraw/zinc/97/41/67/1044974167.db2.gz CVCVLOAKSCUTIV-LJQANCHMSA-N 1 0 325.412 4.416 20 5 EIBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000392115447 1045017084 /nfs/dbraw/zinc/01/70/84/1045017084.db2.gz VSWHHZOFJBBAKU-CQSZACIVSA-N 1 0 330.432 4.065 20 5 EIBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000392372854 1045041027 /nfs/dbraw/zinc/04/10/27/1045041027.db2.gz IJXBTQQUILGWQG-MRXNPFEDSA-N 1 0 348.834 4.138 20 5 EIBDRO Cc1ccc([C@@H](C)Nc2cccc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000392648063 1045064016 /nfs/dbraw/zinc/06/40/16/1045064016.db2.gz SIWVUDZDVNOZOY-OAHLLOKOSA-N 1 0 343.427 4.017 20 5 EIBDRO CC[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cn1 ZINC000495433666 1045093436 /nfs/dbraw/zinc/09/34/36/1045093436.db2.gz PEJJUWFOTCPPSN-CQSZACIVSA-N 1 0 337.782 4.066 20 5 EIBDRO CCC[N@H+](C)C[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000302019462 1045152997 /nfs/dbraw/zinc/15/29/97/1045152997.db2.gz GZWDVAVRVRSXLQ-LLVKDONJSA-N 1 0 346.258 4.070 20 5 EIBDRO O=[N+]([O-])c1ccsc1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000302009907 1045153540 /nfs/dbraw/zinc/15/35/40/1045153540.db2.gz YCCHZSLNIAZORH-UHFFFAOYSA-N 1 0 337.470 4.042 20 5 EIBDRO Cc1cc(N[C@H]2CCc3c2cccc3O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302146147 1045164287 /nfs/dbraw/zinc/16/42/87/1045164287.db2.gz GOZZTCCQFRUYIG-INIZCTEOSA-N 1 0 335.363 4.256 20 5 EIBDRO COc1ccc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000466746195 1045178684 /nfs/dbraw/zinc/17/86/84/1045178684.db2.gz PAEIELIFHVZNBV-UHFFFAOYSA-N 1 0 340.423 4.291 20 5 EIBDRO Cc1cccc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000302490425 1045180784 /nfs/dbraw/zinc/18/07/84/1045180784.db2.gz JVOIPEWWYHTLLN-KSSFIOAISA-N 1 0 345.468 4.460 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000162285118 1045243484 /nfs/dbraw/zinc/24/34/84/1045243484.db2.gz ZKBLTGRCBRACSM-STQMWFEESA-N 1 0 332.375 4.463 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2CCOc3ccccc32)C2CC2)c1 ZINC000611254777 1045265907 /nfs/dbraw/zinc/26/59/07/1045265907.db2.gz UIMNRMUQQNXKOO-INIZCTEOSA-N 1 0 338.407 4.126 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2nccc3ccccc32)C2CC2)c1 ZINC000611254800 1045267240 /nfs/dbraw/zinc/26/72/40/1045267240.db2.gz OVXMFBQMQDHGNP-UHFFFAOYSA-N 1 0 333.391 4.308 20 5 EIBDRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611293197 1045275375 /nfs/dbraw/zinc/27/53/75/1045275375.db2.gz ZERPKBHGCJULRV-AWEZNQCLSA-N 1 0 337.379 4.409 20 5 EIBDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000611293130 1045276159 /nfs/dbraw/zinc/27/61/59/1045276159.db2.gz NZWHVYGLJUAOFJ-CQSZACIVSA-N 1 0 337.379 4.409 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000611377311 1045295316 /nfs/dbraw/zinc/29/53/16/1045295316.db2.gz KAONYEDFBWONCU-GFCCVEGCSA-N 1 0 334.803 4.498 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000611392285 1045296615 /nfs/dbraw/zinc/29/66/15/1045296615.db2.gz PTHXYBVMIGOROE-BFUOFWGJSA-N 1 0 326.396 4.017 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000611377312 1045296823 /nfs/dbraw/zinc/29/68/23/1045296823.db2.gz KAONYEDFBWONCU-LBPRGKRZSA-N 1 0 334.803 4.498 20 5 EIBDRO CC[NH+](CC)[C@@H](CNc1sccc1[N+](=O)[O-])c1ccsc1 ZINC000611411503 1045303418 /nfs/dbraw/zinc/30/34/18/1045303418.db2.gz HSDWDZRDGRSLMV-ZDUSSCGKSA-N 1 0 325.459 4.213 20 5 EIBDRO C[C@H](C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000611519890 1045318909 /nfs/dbraw/zinc/31/89/09/1045318909.db2.gz XRHOSIDJZAKAKU-IERDGZPVSA-N 1 0 347.418 4.473 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@@H]2CCC(F)(F)C2)c2ccccc2)c1 ZINC000611521624 1045319172 /nfs/dbraw/zinc/31/91/72/1045319172.db2.gz JTQZXFLEJLCMRB-WBVHZDCISA-N 1 0 332.350 4.462 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCCO2)c1cccc([N+](=O)[O-])c1 ZINC000193901267 1045539771 /nfs/dbraw/zinc/53/97/71/1045539771.db2.gz KHUBLVLFPMAGAD-ZIAGYGMSSA-N 1 0 342.395 4.168 20 5 EIBDRO CCC1(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CCOCC1 ZINC000326419508 1045564239 /nfs/dbraw/zinc/56/42/39/1045564239.db2.gz BNFFQXVXYXTUAT-UHFFFAOYSA-N 1 0 329.400 4.070 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(Br)cs1 ZINC000194089737 1045617542 /nfs/dbraw/zinc/61/75/42/1045617542.db2.gz UTEFKCPCQSKXCZ-SECBINFHSA-N 1 0 341.230 4.270 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000790998303 1045652789 /nfs/dbraw/zinc/65/27/89/1045652789.db2.gz JCTNYSCUEVAWCM-UKTHLTGXSA-N 1 0 341.367 4.005 20 5 EIBDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000326244879 1045739826 /nfs/dbraw/zinc/73/98/26/1045739826.db2.gz YWCXBVIWFDMJBH-SFHVURJKSA-N 1 0 326.396 4.079 20 5 EIBDRO COC(=O)C1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC000768151725 1045740832 /nfs/dbraw/zinc/74/08/32/1045740832.db2.gz IVWRQQPCNMSPLR-UHFFFAOYSA-N 1 0 333.431 4.378 20 5 EIBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c(F)c1 ZINC000301107436 1045796047 /nfs/dbraw/zinc/79/60/47/1045796047.db2.gz WLYGJZVEYCVDIG-HNNXBMFYSA-N 1 0 335.404 4.044 20 5 EIBDRO C[C@H]1C[NH+](Cc2c3ccccc3cc3ccccc32)C[C@H](C)S1=O ZINC000792191921 1045875835 /nfs/dbraw/zinc/87/58/35/1045875835.db2.gz FGZOFXSEQCUGDB-HOTGVXAUSA-N 1 0 337.488 4.334 20 5 EIBDRO CC(=O)NCC1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC000769055149 1045879469 /nfs/dbraw/zinc/87/94/69/1045879469.db2.gz FBQFKQXSARKOTC-UHFFFAOYSA-N 1 0 346.474 4.341 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccccc2F)c([N+](=O)[O-])c1 ZINC001170297755 1045981924 /nfs/dbraw/zinc/98/19/24/1045981924.db2.gz RLNMCISOJKJRNN-OLZOCXBDSA-N 1 0 332.375 4.024 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCc3cc(C)ccc32)c([N+](=O)[O-])c1 ZINC001170304304 1045984586 /nfs/dbraw/zinc/98/45/86/1045984586.db2.gz BFZZDQRWEYYEPI-AUUYWEPGSA-N 1 0 340.423 4.120 20 5 EIBDRO CC[N@H+](Cc1cccc(F)c1)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170352028 1046023122 /nfs/dbraw/zinc/02/31/22/1046023122.db2.gz JWBCAQFYKNNDEF-AWEZNQCLSA-N 1 0 346.402 4.196 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000792874633 1046088475 /nfs/dbraw/zinc/08/84/75/1046088475.db2.gz FTJCXDZWQCJVSZ-MRXNPFEDSA-N 1 0 329.356 4.052 20 5 EIBDRO CC(C)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000792878245 1046090602 /nfs/dbraw/zinc/09/06/02/1046090602.db2.gz ZWBLSBVHIUCCHA-QGZVFWFLSA-N 1 0 343.383 4.380 20 5 EIBDRO CC(C)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccs1 ZINC000792877659 1046092051 /nfs/dbraw/zinc/09/20/51/1046092051.db2.gz VJSYNEFRNVTGCX-AWEZNQCLSA-N 1 0 349.412 4.442 20 5 EIBDRO COCc1cccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001170423499 1046115389 /nfs/dbraw/zinc/11/53/89/1046115389.db2.gz GXCZIBMAYKBLLK-IBGZPJMESA-N 1 0 340.423 4.121 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](O)c1ccccc1 ZINC000793241743 1046187153 /nfs/dbraw/zinc/18/71/53/1046187153.db2.gz XHPORMNUYCBINZ-QZTJIDSGSA-N 1 0 348.830 4.240 20 5 EIBDRO CCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](O)c1ccccc1 ZINC000793242141 1046187463 /nfs/dbraw/zinc/18/74/63/1046187463.db2.gz PDMBIQDZGQATEP-WMZOPIPTSA-N 1 0 348.830 4.240 20 5 EIBDRO CCC[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1cccc([N+](=O)[O-])c1 ZINC000130468064 1046342433 /nfs/dbraw/zinc/34/24/33/1046342433.db2.gz MAAIQCLATKKPKC-ROUUACIJSA-N 1 0 326.396 4.419 20 5 EIBDRO C[NH+](C)Cc1cc(CNc2cc(Cl)ccc2[N+](=O)[O-])ccc1F ZINC000804461320 1046508480 /nfs/dbraw/zinc/50/84/80/1046508480.db2.gz GLWSYQIPVLEGAD-UHFFFAOYSA-N 1 0 337.782 4.061 20 5 EIBDRO CC(C)c1ccc(C[N@H+](C)[C@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000536670696 1046650764 /nfs/dbraw/zinc/65/07/64/1046650764.db2.gz BAYPQVXZLVQKGR-LJQANCHMSA-N 1 0 342.439 4.274 20 5 EIBDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000536697879 1046697971 /nfs/dbraw/zinc/69/79/71/1046697971.db2.gz HTZMMTGWHZFPBP-OAHLLOKOSA-N 1 0 345.468 4.432 20 5 EIBDRO Cc1c(C[NH2+]CCOc2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000917135783 1046765354 /nfs/dbraw/zinc/76/53/54/1046765354.db2.gz CHRUHVZTKJTNMB-UHFFFAOYSA-N 1 0 336.391 4.225 20 5 EIBDRO CCC[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000536848314 1046818939 /nfs/dbraw/zinc/81/89/39/1046818939.db2.gz VLPSOHZSQRWKEV-ZYSHUDEJSA-N 1 0 334.460 4.357 20 5 EIBDRO CC(C)n1cc([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000536872819 1046835441 /nfs/dbraw/zinc/83/54/41/1046835441.db2.gz XGTBORBOWUCCNG-HNNXBMFYSA-N 1 0 330.432 4.046 20 5 EIBDRO COc1ccccc1[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000536880091 1046844165 /nfs/dbraw/zinc/84/41/65/1046844165.db2.gz ZGBVARYBUWNGAA-OAHLLOKOSA-N 1 0 328.412 4.277 20 5 EIBDRO Cc1cc(NCc2ccc([N+](=O)[O-])cc2Cl)ccc1C[NH+](C)C ZINC000459781180 1046883096 /nfs/dbraw/zinc/88/30/96/1046883096.db2.gz YLMJMVUOILDARX-UHFFFAOYSA-N 1 0 333.819 4.230 20 5 EIBDRO Cc1nc(-c2ccc(C[NH2+]Cc3ccccc3[N+](=O)[O-])cc2)cs1 ZINC000537295813 1047078878 /nfs/dbraw/zinc/07/88/78/1047078878.db2.gz QLGJCGKKERKIGK-UHFFFAOYSA-N 1 0 339.420 4.317 20 5 EIBDRO COc1ccccc1CC(C)(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000537301423 1047084322 /nfs/dbraw/zinc/08/43/22/1047084322.db2.gz GIGFHNAJCPKRRU-FLIBITNWSA-N 1 0 340.423 4.228 20 5 EIBDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000788479750 1047199356 /nfs/dbraw/zinc/19/93/56/1047199356.db2.gz AXPRSLOLBAPOMH-SFHVURJKSA-N 1 0 343.402 4.137 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788498259 1047203427 /nfs/dbraw/zinc/20/34/27/1047203427.db2.gz MIZYFRYZSIOOIO-SECBINFHSA-N 1 0 340.210 4.335 20 5 EIBDRO Cc1ccc([C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000788504193 1047207820 /nfs/dbraw/zinc/20/78/20/1047207820.db2.gz BRYZGPOEHVRPOK-DJJJIMSYSA-N 1 0 325.412 4.287 20 5 EIBDRO CCn1cccc(C[NH2+]Cc2c3ccccc3cc3ccccc32)c1=O ZINC000788523461 1047213872 /nfs/dbraw/zinc/21/38/72/1047213872.db2.gz DAIJYOPVXAWKKO-UHFFFAOYSA-N 1 0 342.442 4.464 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1(c2cccc(F)c2)CC1 ZINC000537452286 1047236552 /nfs/dbraw/zinc/23/65/52/1047236552.db2.gz RMTAKSKWTPSLMC-AWEZNQCLSA-N 1 0 328.387 4.334 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C(C)C)[C@H](O)c1ccccc1 ZINC000788619668 1047251445 /nfs/dbraw/zinc/25/14/45/1047251445.db2.gz FGUVCLTZWWVAGE-RYGJVYDSSA-N 1 0 342.439 4.312 20 5 EIBDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000788621153 1047252806 /nfs/dbraw/zinc/25/28/06/1047252806.db2.gz KWXOCCHCVUZKFO-GDIGMMSISA-N 1 0 328.412 4.004 20 5 EIBDRO CCc1nc2c(s1)[C@H](N(C)Cc1csc([N+](=O)[O-])c1)CCC2 ZINC000152551023 1047312778 /nfs/dbraw/zinc/31/27/78/1047312778.db2.gz ZJECVQDPUOXYLJ-GFCCVEGCSA-N 1 0 337.470 4.185 20 5 EIBDRO Cn1ccnc1[C@H]([NH2+]CC(C)(C)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000556212918 1047575663 /nfs/dbraw/zinc/57/56/63/1047575663.db2.gz NWTPWTUSSZZUQF-MRXNPFEDSA-N 1 0 344.459 4.080 20 5 EIBDRO COc1ccc(C[NH2+]Cc2ccc(OC(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000609287669 1047694284 /nfs/dbraw/zinc/69/42/84/1047694284.db2.gz MRAPDBTWIQYUPA-UHFFFAOYSA-N 1 0 344.411 4.071 20 5 EIBDRO CC[N@H+](Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)C(C)C ZINC000508785769 1047718631 /nfs/dbraw/zinc/71/86/31/1047718631.db2.gz SPPNGQRHPHYCHK-UHFFFAOYSA-N 1 0 341.411 4.077 20 5 EIBDRO CCOc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000556611695 1047841874 /nfs/dbraw/zinc/84/18/74/1047841874.db2.gz UBELHESLQKTJHR-LBPRGKRZSA-N 1 0 334.803 4.498 20 5 EIBDRO CC(C)[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000498772954 1047843247 /nfs/dbraw/zinc/84/32/47/1047843247.db2.gz CBILFHINFJFPQX-LJQANCHMSA-N 1 0 345.418 4.439 20 5 EIBDRO Cc1ccccc1[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000815579424 1048517681 /nfs/dbraw/zinc/51/76/81/1048517681.db2.gz MSANFKYFUKOAIM-ORAYPTAESA-N 1 0 325.412 4.287 20 5 EIBDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815587299 1048525038 /nfs/dbraw/zinc/52/50/38/1048525038.db2.gz GITDADVTFNRVNR-GMXVVIOVSA-N 1 0 345.365 4.196 20 5 EIBDRO C[C@@H]([NH2+]Cc1cccc(-c2ccccn2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815598543 1048530413 /nfs/dbraw/zinc/53/04/13/1048530413.db2.gz XQGCVIUAHXWGNU-CQSZACIVSA-N 1 0 348.406 4.090 20 5 EIBDRO C[C@H]([NH2+][C@H](CC1CC1)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815605953 1048557170 /nfs/dbraw/zinc/55/71/70/1048557170.db2.gz JTADIIYWIITTQO-SCLBCKFNSA-N 1 0 325.412 4.369 20 5 EIBDRO CSCC[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809962454 1048570826 /nfs/dbraw/zinc/57/08/26/1048570826.db2.gz OIGQQJGVDPULJG-SECBINFHSA-N 1 0 337.272 4.475 20 5 EIBDRO CC(C)(CO)[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000809992509 1048592006 /nfs/dbraw/zinc/59/20/06/1048592006.db2.gz UXEUELNYXFUOOH-QGZVFWFLSA-N 1 0 348.830 4.098 20 5 EIBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cc(F)cc(F)c3[N+](=O)[O-])c2c1 ZINC001171168161 1048614203 /nfs/dbraw/zinc/61/42/03/1048614203.db2.gz KKATVPBFBAORPA-NSHDSACASA-N 1 0 345.349 4.015 20 5 EIBDRO CCCNC(=O)C[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC000920956879 1048820168 /nfs/dbraw/zinc/82/01/68/1048820168.db2.gz XCMWLQNYRVPSES-UHFFFAOYSA-N 1 0 340.854 4.262 20 5 EIBDRO C[C@]1(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@]1(F)Cl ZINC000846182289 1048835470 /nfs/dbraw/zinc/83/54/70/1048835470.db2.gz BIXGFVXQPTUQAI-PVAVHDDUSA-N 1 0 340.826 4.210 20 5 EIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2ncc([N+](=O)[O-])s2)cc1 ZINC000195508892 1048887019 /nfs/dbraw/zinc/88/70/19/1048887019.db2.gz BPUNYBILJHNYSM-CYBMUJFWSA-N 1 0 346.456 4.038 20 5 EIBDRO COc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000609440396 1049070884 /nfs/dbraw/zinc/07/08/84/1049070884.db2.gz VNZRBXIJVUBDLX-UHFFFAOYSA-N 1 0 341.194 4.200 20 5 EIBDRO CCC(CC)(CCO)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811482956 1049078692 /nfs/dbraw/zinc/07/86/92/1049078692.db2.gz YKQKEXATVSZHCS-UHFFFAOYSA-N 1 0 349.258 4.180 20 5 EIBDRO CCC(CC)(CNc1cccnc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000609513063 1049126793 /nfs/dbraw/zinc/12/67/93/1049126793.db2.gz NPZGKQXDMSWCCP-OAHLLOKOSA-N 1 0 342.443 4.311 20 5 EIBDRO COc1ccc(C2([NH2+]CCc3ccc([N+](=O)[O-])cc3)CCCC2)cc1 ZINC000609613906 1049216156 /nfs/dbraw/zinc/21/61/56/1049216156.db2.gz QZSMCMCALOGFJW-UHFFFAOYSA-N 1 0 340.423 4.205 20 5 EIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000609704187 1049274277 /nfs/dbraw/zinc/27/42/77/1049274277.db2.gz DYEGUDRJZKNVGS-ZDUSSCGKSA-N 1 0 331.441 4.294 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2Cc3ccccc3C2)o1 ZINC000609770209 1049310260 /nfs/dbraw/zinc/31/02/60/1049310260.db2.gz FBAXELDVWNQAHL-UHFFFAOYSA-N 1 0 348.402 4.359 20 5 EIBDRO Cc1cc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000064550840 1049338480 /nfs/dbraw/zinc/33/84/80/1049338480.db2.gz FTMKXXQIXWAAMD-OAHLLOKOSA-N 1 0 345.468 4.289 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCCC[C@@H]2c2ccco2)cc1 ZINC000609916246 1049394353 /nfs/dbraw/zinc/39/43/53/1049394353.db2.gz PPVUCMMKYSRJKB-QGZVFWFLSA-N 1 0 330.384 4.184 20 5 EIBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccnc(Cl)c1 ZINC000773022439 1049535028 /nfs/dbraw/zinc/53/50/28/1049535028.db2.gz CJRCLNQNFQYTBW-CYBMUJFWSA-N 1 0 333.819 4.317 20 5 EIBDRO CCCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H](C)C1 ZINC001170683708 1049542919 /nfs/dbraw/zinc/54/29/19/1049542919.db2.gz SZZXNQUQSCGXAB-MNEFBYGVSA-N 1 0 334.460 4.309 20 5 EIBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812850820 1049611451 /nfs/dbraw/zinc/61/14/51/1049611451.db2.gz VTCZMWPHNPFREY-SCLBCKFNSA-N 1 0 348.830 4.192 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(C3CCCCC3)CC2)cc1 ZINC001171778498 1049796895 /nfs/dbraw/zinc/79/68/95/1049796895.db2.gz LYUQXAZCEGUPAJ-UHFFFAOYSA-N 1 0 332.444 4.266 20 5 EIBDRO Cc1ccc(CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cn1 ZINC000180520488 1049912185 /nfs/dbraw/zinc/91/21/85/1049912185.db2.gz FMKWAKPVCONIND-OAQYLSRUSA-N 1 0 347.418 4.220 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OCC)c2)cc1 ZINC000617217471 1049964433 /nfs/dbraw/zinc/96/44/33/1049964433.db2.gz HHGBDFNNSFHYJQ-AWEZNQCLSA-N 1 0 344.411 4.243 20 5 EIBDRO CC[NH+](CC)[C@@H](CNCc1c(C)ccc([N+](=O)[O-])c1C)CC(C)C ZINC001177209967 1050163221 /nfs/dbraw/zinc/16/32/21/1050163221.db2.gz URSCQRVGSAKCLN-QGZVFWFLSA-N 1 0 335.492 4.058 20 5 EIBDRO C[NH2+]Cc1ccc2c(ccn2[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172904506 1050204605 /nfs/dbraw/zinc/20/46/05/1050204605.db2.gz NXAPZHDYUYNWNC-IBGZPJMESA-N 1 0 349.434 4.389 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cc3ccccc3cn1)CC2 ZINC001172902156 1050204764 /nfs/dbraw/zinc/20/47/64/1050204764.db2.gz WFCHJJAQUBANSM-IBGZPJMESA-N 1 0 347.418 4.180 20 5 EIBDRO [NH3+]CCc1ccc2c(ccn2[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172903962 1050205647 /nfs/dbraw/zinc/20/56/47/1050205647.db2.gz ULOFBCUULBVWAN-IBGZPJMESA-N 1 0 349.434 4.171 20 5 EIBDRO CC(C)[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccn1 ZINC001172902438 1050205804 /nfs/dbraw/zinc/20/58/04/1050205804.db2.gz YLCHOLWVERBKSX-XLIONFOSSA-N 1 0 339.439 4.224 20 5 EIBDRO CC(C)[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccnc1 ZINC001172904921 1050206460 /nfs/dbraw/zinc/20/64/60/1050206460.db2.gz BIICCQNZBMFNKU-QUCCMNQESA-N 1 0 339.439 4.224 20 5 EIBDRO Cc1c(C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)cccc1[N+](=O)[O-] ZINC000773658956 1050207355 /nfs/dbraw/zinc/20/73/55/1050207355.db2.gz SOOLTQBTDYVJGC-UHFFFAOYSA-N 1 0 343.814 4.241 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCc1ccccc1Cl)CC2 ZINC001172896019 1050230876 /nfs/dbraw/zinc/23/08/76/1050230876.db2.gz KXMUAOLDOWGJEO-QGZVFWFLSA-N 1 0 344.842 4.328 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@H]1c1ccncc1)CC2 ZINC001172915847 1050231955 /nfs/dbraw/zinc/23/19/55/1050231955.db2.gz PERJPAJYUCGKQJ-UYAOXDASSA-N 1 0 337.423 4.074 20 5 EIBDRO C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896285 1050232310 /nfs/dbraw/zinc/23/23/10/1050232310.db2.gz DDLGRLIUHOUFFT-OXJNMPFZSA-N 1 0 338.451 4.453 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCCC3(CC(F)C3)CC1)CC2 ZINC001172921338 1050234161 /nfs/dbraw/zinc/23/41/61/1050234161.db2.gz OWSHEAMFUBEBDY-FDYSRKEFSA-N 1 0 346.446 4.446 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+](Cc1ccco1)C1CC1)CC2 ZINC001172912489 1050246693 /nfs/dbraw/zinc/24/66/93/1050246693.db2.gz AHOHWOBHWFNHMO-INIZCTEOSA-N 1 0 326.396 4.100 20 5 EIBDRO CCCCCC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006152 1050263779 /nfs/dbraw/zinc/26/37/79/1050263779.db2.gz NXRGSYHSXDNMIE-UHFFFAOYSA-N 1 0 341.402 4.012 20 5 EIBDRO CC1(C)CCC[N@H+](CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001186267285 1050277177 /nfs/dbraw/zinc/27/71/77/1050277177.db2.gz OKMZWTBTDFIYPQ-UHFFFAOYSA-N 1 0 345.365 4.148 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccc(C)c(C)c2)c1F ZINC001173175531 1050335775 /nfs/dbraw/zinc/33/57/75/1050335775.db2.gz PDVBWSKZMKXDGB-AWEZNQCLSA-N 1 0 346.402 4.080 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC001173218151 1050349820 /nfs/dbraw/zinc/34/98/20/1050349820.db2.gz JHTWHFHZRVXNRG-IFXJQAMLSA-N 1 0 328.412 4.275 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC001173218228 1050350184 /nfs/dbraw/zinc/35/01/84/1050350184.db2.gz CDURAZGVNYKROS-YJYMSZOUSA-N 1 0 328.387 4.332 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC001173216994 1050351353 /nfs/dbraw/zinc/35/13/53/1050351353.db2.gz OSIZKQZVJFFPIF-CYBMUJFWSA-N 1 0 330.815 4.458 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC001173215688 1050351521 /nfs/dbraw/zinc/35/15/21/1050351521.db2.gz YORYMHQDEYSZCS-IIBYNOLFSA-N 1 0 347.418 4.300 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(Cl)nc(Cl)c1 ZINC001173219100 1050352972 /nfs/dbraw/zinc/35/29/72/1050352972.db2.gz XCXHOCSCKLRSPO-SNVBAGLBSA-N 1 0 340.210 4.017 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccccc2Cl)CC1 ZINC001173218658 1050353367 /nfs/dbraw/zinc/35/33/67/1050353367.db2.gz RJPWGNKMLXDNMX-ZDUSSCGKSA-N 1 0 330.815 4.458 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccccc1-c1cccnc1 ZINC001173220278 1050353786 /nfs/dbraw/zinc/35/37/86/1050353786.db2.gz XEDQANCEVJOBMK-MRXNPFEDSA-N 1 0 347.418 4.378 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=[NH2+])c1cccc2ccccc21 ZINC001173221126 1050354234 /nfs/dbraw/zinc/35/42/34/1050354234.db2.gz JSOUHGXNHZVCNV-CQSZACIVSA-N 1 0 333.391 4.294 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1cccc(F)c1)C1CC1 ZINC001173223633 1050354424 /nfs/dbraw/zinc/35/44/24/1050354424.db2.gz JMHUGYXFYUMJMC-DJJJIMSYSA-N 1 0 328.387 4.406 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(Cc2cccc(F)c2)CC1 ZINC001173223392 1050355508 /nfs/dbraw/zinc/35/55/08/1050355508.db2.gz IHGKQUSHQBOUPJ-CQSZACIVSA-N 1 0 328.387 4.030 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1cncc(Cl)c1)C1CC1 ZINC001173223442 1050355794 /nfs/dbraw/zinc/35/57/94/1050355794.db2.gz IREIIORAQUNKRJ-KPZWWZAWSA-N 1 0 345.830 4.315 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(Cc2cccc(F)c2)CC1 ZINC001173225572 1050356328 /nfs/dbraw/zinc/35/63/28/1050356328.db2.gz RYNACVIDCKBQME-HNNXBMFYSA-N 1 0 342.414 4.277 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC001173230020 1050357522 /nfs/dbraw/zinc/35/75/22/1050357522.db2.gz PWXGLSALPUMQBH-BUXKBTBVSA-N 1 0 346.377 4.471 20 5 EIBDRO COc1ccc(CC(C)(C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173224806 1050358204 /nfs/dbraw/zinc/35/82/04/1050358204.db2.gz PCCIILJBOYDKJI-HNNXBMFYSA-N 1 0 342.439 4.145 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cc(C[NH3+])c2cc(Cl)ccc21 ZINC001173232997 1050359966 /nfs/dbraw/zinc/35/99/66/1050359966.db2.gz GNCYYOGTLRDZIY-LBPRGKRZSA-N 1 0 343.814 4.465 20 5 EIBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173235784 1050361509 /nfs/dbraw/zinc/36/15/09/1050361509.db2.gz UWQQDXLBYBNXFA-HNAYVOBHSA-N 1 0 339.439 4.134 20 5 EIBDRO Cc1ccc([C@H]2CCC[N@H+]2[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173233703 1050362663 /nfs/dbraw/zinc/36/26/63/1050362663.db2.gz MFDZYYDBVZFRPO-HNAYVOBHSA-N 1 0 325.412 4.066 20 5 EIBDRO Cc1ccc([C@H]2CCC[N@H+]2[C@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173233702 1050363193 /nfs/dbraw/zinc/36/31/93/1050363193.db2.gz MFDZYYDBVZFRPO-DNVCBOLYSA-N 1 0 325.412 4.066 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC001173235402 1050363242 /nfs/dbraw/zinc/36/32/42/1050363242.db2.gz SMZAGJWDEPNFGL-AWEZNQCLSA-N 1 0 340.423 4.029 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc2scnc2c1)c1cccc([N+](=O)[O-])c1 ZINC001178204660 1050403521 /nfs/dbraw/zinc/40/35/21/1050403521.db2.gz MMPZFZOJVMDGKE-OAHLLOKOSA-N 1 0 327.409 4.445 20 5 EIBDRO Cc1ccccc1C[C@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000618551772 1050407984 /nfs/dbraw/zinc/40/79/84/1050407984.db2.gz ZWQOFKORSAHUEZ-AWEZNQCLSA-N 1 0 339.395 4.107 20 5 EIBDRO CC(C)(C)OC(=O)CCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618572136 1050414124 /nfs/dbraw/zinc/41/41/24/1050414124.db2.gz GANIFJSJCMYRSW-QGZVFWFLSA-N 1 0 348.443 4.074 20 5 EIBDRO CCC[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000618568160 1050415756 /nfs/dbraw/zinc/41/57/56/1050415756.db2.gz SYHCKTLOMDSUIW-IEBWSBKVSA-N 1 0 325.412 4.498 20 5 EIBDRO Cc1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cc3Cl)C2)c1 ZINC001187189744 1050498464 /nfs/dbraw/zinc/49/84/64/1050498464.db2.gz HHESHNAKOPMDFN-HNNXBMFYSA-N 1 0 345.830 4.243 20 5 EIBDRO C[C@@H](Cc1ccsc1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000618798242 1050531703 /nfs/dbraw/zinc/53/17/03/1050531703.db2.gz FFXAYJCCIOUGET-JTQLQIEISA-N 1 0 344.358 4.396 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc2cnccc2c1)C1CC1 ZINC000618808904 1050535743 /nfs/dbraw/zinc/53/57/43/1050535743.db2.gz JFZIDHDVXVFRBE-UHFFFAOYSA-N 1 0 333.391 4.308 20 5 EIBDRO C[C@H](C[NH2+]Cc1cccc(OC(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC001179685288 1050747499 /nfs/dbraw/zinc/74/74/99/1050747499.db2.gz JBQYJBIJDWCSEA-GFCCVEGCSA-N 1 0 336.338 4.090 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC001190392759 1051165597 /nfs/dbraw/zinc/16/55/97/1051165597.db2.gz SOSZUZWOUYHNSP-SFHVURJKSA-N 1 0 340.423 4.201 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+](CC1CC1)C1CCC1 ZINC001181215131 1051189712 /nfs/dbraw/zinc/18/97/12/1051189712.db2.gz ZOJAPSSFCCFWOA-UHFFFAOYSA-N 1 0 328.334 4.378 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC001174844850 1051208008 /nfs/dbraw/zinc/20/80/08/1051208008.db2.gz ICRJJDTYWAXIKH-AWEZNQCLSA-N 1 0 332.350 4.253 20 5 EIBDRO CC(C)C[N@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC001190550859 1051214399 /nfs/dbraw/zinc/21/43/99/1051214399.db2.gz PQZWLOONYINXAH-UHFFFAOYSA-N 1 0 330.403 4.435 20 5 EIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c1 ZINC001190781755 1051277892 /nfs/dbraw/zinc/27/78/92/1051277892.db2.gz XVYIXJYZNAFCDT-GOSISDBHSA-N 1 0 340.423 4.243 20 5 EIBDRO CCOc1c(Cl)cccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001181699072 1051293724 /nfs/dbraw/zinc/29/37/24/1051293724.db2.gz YMEYJZIJXFUTSZ-UHFFFAOYSA-N 1 0 348.830 4.321 20 5 EIBDRO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000183720075 1051320834 /nfs/dbraw/zinc/32/08/34/1051320834.db2.gz SBFQLVOKMCONPC-CQSZACIVSA-N 1 0 337.379 4.443 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC001182181854 1051413164 /nfs/dbraw/zinc/41/31/64/1051413164.db2.gz BFDWVKHJQKUNQS-LBPRGKRZSA-N 1 0 328.334 4.236 20 5 EIBDRO COc1ccc(C[N@@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)cc1[N+](=O)[O-] ZINC001191475992 1051462192 /nfs/dbraw/zinc/46/21/92/1051462192.db2.gz QQDOYBCCPOXBEH-MAUKXSAKSA-N 1 0 340.423 4.057 20 5 EIBDRO C[S@](=O)c1ccccc1Nc1ccc2cc3ccc(N)cc3[nH+]c2c1 ZINC001175311306 1051521817 /nfs/dbraw/zinc/52/18/17/1051521817.db2.gz NPPVXPIGJOXLNA-VWLOTQADSA-N 1 0 347.443 4.451 20 5 EIBDRO CCC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001191985334 1051595409 /nfs/dbraw/zinc/59/54/09/1051595409.db2.gz AALDAGPFNSARPJ-LBPRGKRZSA-N 1 0 341.249 4.369 20 5 EIBDRO Cc1cccc([C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C)c1 ZINC000775525500 1051725528 /nfs/dbraw/zinc/72/55/28/1051725528.db2.gz YWVXXIHAPYIWTK-OALUTQOASA-N 1 0 342.439 4.314 20 5 EIBDRO CC(C)(C)OC1CC(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000763642653 1051733490 /nfs/dbraw/zinc/73/34/90/1051733490.db2.gz OTGAXWWBABKBIO-UHFFFAOYSA-N 1 0 340.851 4.322 20 5 EIBDRO C[C@H]([NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)c1cccc([N+](=O)[O-])c1 ZINC001192674062 1051789349 /nfs/dbraw/zinc/78/93/49/1051789349.db2.gz VLXTWTYOYNFFLN-ZLIFDBKOSA-N 1 0 332.350 4.294 20 5 EIBDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001192745090 1051801590 /nfs/dbraw/zinc/80/15/90/1051801590.db2.gz LNZVDKBIXBLOIU-SCLBCKFNSA-N 1 0 348.830 4.422 20 5 EIBDRO CC1(C)CCC[C@](O)(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001183301504 1051823751 /nfs/dbraw/zinc/82/37/51/1051823751.db2.gz WVKBLLZUHIWNMZ-QGZVFWFLSA-N 1 0 340.851 4.059 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCCC3(CCC3)O2)C2CC2)cc1 ZINC001192939420 1051841143 /nfs/dbraw/zinc/84/11/43/1051841143.db2.gz MWUUBGMKBWYAJP-SFHVURJKSA-N 1 0 330.428 4.051 20 5 EIBDRO CC(C)C[C@H](C)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001183532939 1051863724 /nfs/dbraw/zinc/86/37/24/1051863724.db2.gz IMKRFHSQWGESKP-NSHDSACASA-N 1 0 329.238 4.129 20 5 EIBDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001193403465 1051916609 /nfs/dbraw/zinc/91/66/09/1051916609.db2.gz XFNVLRNNWVOWMX-ZWNOBZJWSA-N 1 0 327.222 4.026 20 5 EIBDRO COc1cccc(C2CC([NH2+]C[C@@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC001184044528 1051943857 /nfs/dbraw/zinc/94/38/57/1051943857.db2.gz BYRCCOOJTJKTGF-ODIFPOPNSA-N 1 0 340.423 4.243 20 5 EIBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000184490274 1052007379 /nfs/dbraw/zinc/00/73/79/1052007379.db2.gz CMDLZBFEGYXKGB-GFCCVEGCSA-N 1 0 349.456 4.078 20 5 EIBDRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)cc1 ZINC001193932530 1052023797 /nfs/dbraw/zinc/02/37/97/1052023797.db2.gz PSXUOMQHMSMSTI-YOEHRIQHSA-N 1 0 328.387 4.420 20 5 EIBDRO Cc1cc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])s1 ZINC001184501011 1052032191 /nfs/dbraw/zinc/03/21/91/1052032191.db2.gz RUPBBZHQBRBDGT-INIZCTEOSA-N 1 0 331.441 4.214 20 5 EIBDRO CC[NH+](CC)Cc1ccccc1CNc1c(F)cccc1[N+](=O)[O-] ZINC001184658584 1052076098 /nfs/dbraw/zinc/07/60/98/1052076098.db2.gz CUBHUCPHDLJOCA-UHFFFAOYSA-N 1 0 331.391 4.188 20 5 EIBDRO CC(C)C[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC001184740770 1052097129 /nfs/dbraw/zinc/09/71/29/1052097129.db2.gz VHLWCLJKAUFABG-LLVKDONJSA-N 1 0 334.247 4.290 20 5 EIBDRO CC(C)C[C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC001184740771 1052097625 /nfs/dbraw/zinc/09/76/25/1052097625.db2.gz VHLWCLJKAUFABG-NSHDSACASA-N 1 0 334.247 4.290 20 5 EIBDRO COc1ccc(O)cc1Nc1ccc2cc3ccc(N)cc3[nH+]c2c1 ZINC001176580510 1052119142 /nfs/dbraw/zinc/11/91/42/1052119142.db2.gz WRDSNZBWVDNNOS-UHFFFAOYSA-N 1 0 331.375 4.428 20 5 EIBDRO CCC(=O)c1ccc(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001184983514 1052139733 /nfs/dbraw/zinc/13/97/33/1052139733.db2.gz TYSWDXMKEQPGKF-KUHUBIRLSA-N 1 0 347.459 4.110 20 5 EIBDRO CC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])CC(C)(C)C ZINC001194626244 1052179626 /nfs/dbraw/zinc/17/96/26/1052179626.db2.gz PKKYLOBCCPUJQD-UHFFFAOYSA-N 1 0 329.238 4.225 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC001185273681 1052207721 /nfs/dbraw/zinc/20/77/21/1052207721.db2.gz VMESJDDFBRCARA-UHFFFAOYSA-N 1 0 325.412 4.285 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCn1ccc2ccccc21 ZINC001177070920 1052223854 /nfs/dbraw/zinc/22/38/54/1052223854.db2.gz BBAMCJPUHQVBSU-UHFFFAOYSA-N 1 0 337.423 4.346 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC001185701501 1052284956 /nfs/dbraw/zinc/28/49/56/1052284956.db2.gz IVKJKPPYZDQINK-QGZVFWFLSA-N 1 0 345.487 4.384 20 5 EIBDRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192692238 1052629730 /nfs/dbraw/zinc/62/97/30/1052629730.db2.gz RYPCRQRQTVBGMR-KZULUSFZSA-N 1 0 344.386 4.471 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21 ZINC000112515487 1053026452 /nfs/dbraw/zinc/02/64/52/1053026452.db2.gz XTGTYKQJJCUGMA-VLIAUNLRSA-N 1 0 336.391 4.132 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]CCC2SCCS2)c2cc([N+](=O)[O-])ccc21 ZINC000850569155 1053321813 /nfs/dbraw/zinc/32/18/13/1053321813.db2.gz VUQKYAXEXUNQSR-CQSZACIVSA-N 1 0 338.498 4.103 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000339073053 1053474144 /nfs/dbraw/zinc/47/41/44/1053474144.db2.gz ZIZROLFBSXHEPS-SFHVURJKSA-N 1 0 326.396 4.079 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H](c3ccccn3)C2)c1 ZINC000852086907 1053548402 /nfs/dbraw/zinc/54/84/02/1053548402.db2.gz CLFAGKSQZNHHEH-ZDUSSCGKSA-N 1 0 331.803 4.023 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H](c3ccccn3)C2)c1 ZINC000852086906 1053549172 /nfs/dbraw/zinc/54/91/72/1053549172.db2.gz CLFAGKSQZNHHEH-CYBMUJFWSA-N 1 0 331.803 4.023 20 5 EIBDRO CCC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC000776580322 1053563549 /nfs/dbraw/zinc/56/35/49/1053563549.db2.gz UFFHYEVLTUOMBX-WOJBJXKFSA-N 1 0 340.423 4.028 20 5 EIBDRO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776585871 1053567174 /nfs/dbraw/zinc/56/71/74/1053567174.db2.gz BMMIOFRYYJYMTG-VQTJNVASSA-N 1 0 340.423 4.082 20 5 EIBDRO CCC(CC)[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000776606124 1053597780 /nfs/dbraw/zinc/59/77/80/1053597780.db2.gz RTJPPLXXYMQNEO-SJLPKXTDSA-N 1 0 348.468 4.457 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cnn1C(C)(C)C ZINC000866540486 1053776629 /nfs/dbraw/zinc/77/66/29/1053776629.db2.gz PBBKCGKNZMOLTF-CYBMUJFWSA-N 1 0 330.432 4.014 20 5 EIBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@H](C)C2CCCCC2)c1 ZINC001196820022 1053781074 /nfs/dbraw/zinc/78/10/74/1053781074.db2.gz XAKMWMNBTBOLCA-AWEZNQCLSA-N 1 0 348.443 4.030 20 5 EIBDRO [NH3+]CC[C@H]1CN(c2cc3cccnc3c3ncccc23)c2ccccc21 ZINC001168547202 1053784203 /nfs/dbraw/zinc/78/42/03/1053784203.db2.gz BALWIFWWWVYONI-INIZCTEOSA-N 1 0 340.430 4.367 20 5 EIBDRO Cc1cc(C)c(N2C[C@@H](CC[NH3+])c3ccccc32)c(C)c1[N+](=O)[O-] ZINC001168548903 1053811088 /nfs/dbraw/zinc/81/10/88/1053811088.db2.gz JUWTVTIQDPMSGC-OAHLLOKOSA-N 1 0 325.412 4.104 20 5 EIBDRO [NH3+]CC[C@@H]1CN(c2cc3ccccc3c([N+](=O)[O-])c2)c2ccccc21 ZINC001168555916 1053940274 /nfs/dbraw/zinc/94/02/74/1053940274.db2.gz SRQVYJPSFUCWNZ-OAHLLOKOSA-N 1 0 333.391 4.332 20 5 EIBDRO Cc1cc(Cl)c(N2C[C@@H](CC[NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001168556081 1053945784 /nfs/dbraw/zinc/94/57/84/1053945784.db2.gz XPUQEKRFGWGJIK-GFCCVEGCSA-N 1 0 331.803 4.141 20 5 EIBDRO CC(C)[C@@H](Cc1ccccc1)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC001197771166 1053992264 /nfs/dbraw/zinc/99/22/64/1053992264.db2.gz XYCBTRHSTBVZIV-HXUWFJFHSA-N 1 0 342.439 4.221 20 5 EIBDRO CCCOCc1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173331354 1054043751 /nfs/dbraw/zinc/04/37/51/1054043751.db2.gz WSKKXXHQEDAATQ-HNNXBMFYSA-N 1 0 328.412 4.372 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCOc2c(Cl)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000173348342 1054093416 /nfs/dbraw/zinc/09/34/16/1054093416.db2.gz BSYCRSYIXZSZOH-BDJLRTHQSA-N 1 0 332.787 4.423 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC[C@H]1CC1(F)F ZINC000857059266 1054166329 /nfs/dbraw/zinc/16/63/29/1054166329.db2.gz KDDIEJXQEBDSJJ-QMMMGPOBSA-N 1 0 325.142 4.037 20 5 EIBDRO Cc1cccc2oc(CC[NH2+][C@H](C)c3c(F)cccc3[N+](=O)[O-])nc21 ZINC000872038940 1054353006 /nfs/dbraw/zinc/35/30/06/1054353006.db2.gz BSEXXDCPWPDKGK-GFCCVEGCSA-N 1 0 343.358 4.077 20 5 EIBDRO C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872039170 1054354238 /nfs/dbraw/zinc/35/42/38/1054354238.db2.gz CGOFGWADYPDFBC-CQSZACIVSA-N 1 0 349.450 4.182 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC000872051679 1054364235 /nfs/dbraw/zinc/36/42/35/1054364235.db2.gz KEUAFASARFFWDV-GFCCVEGCSA-N 1 0 344.436 4.198 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)c1nccs1 ZINC000872062745 1054372166 /nfs/dbraw/zinc/37/21/66/1054372166.db2.gz OXJKNUCFVHLKAZ-GHMZBOCLSA-N 1 0 337.470 4.228 20 5 EIBDRO COc1cccc2c1CCC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC001199412041 1054407765 /nfs/dbraw/zinc/40/77/65/1054407765.db2.gz FPALKWSEXXZVQX-WMLDXEAASA-N 1 0 340.423 4.202 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872260388 1054427088 /nfs/dbraw/zinc/42/70/88/1054427088.db2.gz OZLMWEJKQVUONL-GINYUPMKSA-N 1 0 330.428 4.032 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872260389 1054427799 /nfs/dbraw/zinc/42/77/99/1054427799.db2.gz OZLMWEJKQVUONL-NCRRVARUSA-N 1 0 330.428 4.032 20 5 EIBDRO O=C1OCC[C@H]1CCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000873163395 1054497798 /nfs/dbraw/zinc/49/77/98/1054497798.db2.gz QROMDNXSYPNOQS-MRXNPFEDSA-N 1 0 333.431 4.426 20 5 EIBDRO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1Nc1ccc(N)nc1 ZINC001201292448 1054736836 /nfs/dbraw/zinc/73/68/36/1054736836.db2.gz YPCHPBVWZHLORY-UHFFFAOYSA-N 1 0 343.434 4.483 20 5 EIBDRO CCO[C@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)c1ccccc1 ZINC001202213312 1055088315 /nfs/dbraw/zinc/08/83/15/1055088315.db2.gz LIPHNJAARQDBTB-LJQANCHMSA-N 1 0 328.412 4.079 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCCC[C@@H]2c2ccccc2)cc1 ZINC000776279767 1055153607 /nfs/dbraw/zinc/15/36/07/1055153607.db2.gz YUOPUQMZTAEIDG-WOJBJXKFSA-N 1 0 340.423 4.246 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000765806347 1055403352 /nfs/dbraw/zinc/40/33/52/1055403352.db2.gz BUOKCLJDVKQINA-SCLBCKFNSA-N 1 0 348.830 4.115 20 5 EIBDRO CC[NH+](CC)C[C@@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000553398694 1055439786 /nfs/dbraw/zinc/43/97/86/1055439786.db2.gz LNWYHXUAGVMUQT-NSHDSACASA-N 1 0 346.258 4.070 20 5 EIBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC000301588419 1055741374 /nfs/dbraw/zinc/74/13/74/1055741374.db2.gz PUUBGFJKUXNFAZ-YOEHRIQHSA-N 1 0 343.402 4.056 20 5 EIBDRO CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000765844752 1055845617 /nfs/dbraw/zinc/84/56/17/1055845617.db2.gz JDFITLKYVBRZMN-FOIQADDNSA-N 1 0 342.439 4.178 20 5 EIBDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765847980 1055882138 /nfs/dbraw/zinc/88/21/38/1055882138.db2.gz DFUGFTMDLJNWEI-VQTJNVASSA-N 1 0 342.439 4.314 20 5 EIBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1C[C@H]1c1ccccc1 ZINC000554742308 1056163737 /nfs/dbraw/zinc/16/37/37/1056163737.db2.gz SCAGCNXPISBXKQ-JVPBZIDWSA-N 1 0 349.434 4.400 20 5 EIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)c1 ZINC000462732963 1056242387 /nfs/dbraw/zinc/24/23/87/1056242387.db2.gz FTZKBGCJFNSHGM-MBNYWOFBSA-N 1 0 340.370 4.255 20 5 EIBDRO CC[NH+](CC)Cc1ccccc1CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000542863297 1056340399 /nfs/dbraw/zinc/34/03/99/1056340399.db2.gz JYULULNVFBOXHS-UHFFFAOYSA-N 1 0 342.443 4.061 20 5 EIBDRO CCc1ccc(C(C)(C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC001168656867 1056372716 /nfs/dbraw/zinc/37/27/16/1056372716.db2.gz IDLZGAFKKFGWPC-UHFFFAOYSA-N 1 0 328.412 4.061 20 5 EIBDRO CCOC1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000091677723 1056609374 /nfs/dbraw/zinc/60/93/74/1056609374.db2.gz PCLLWJGCISFFEZ-UHFFFAOYSA-N 1 0 346.452 4.324 20 5 EIBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C12CCCC2 ZINC000742390430 1058589707 /nfs/dbraw/zinc/58/97/07/1058589707.db2.gz GVWABJGANRKGGK-HOTGVXAUSA-N 1 0 338.835 4.076 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000746046622 1059979349 /nfs/dbraw/zinc/97/93/49/1059979349.db2.gz CFYUQVMELQFCKJ-AUUYWEPGSA-N 1 0 342.439 4.277 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000746115012 1060029293 /nfs/dbraw/zinc/02/92/93/1060029293.db2.gz FKYYXAOHBNVPSC-CQSZACIVSA-N 1 0 326.396 4.329 20 5 EIBDRO COc1cccc(C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC(C)C)c1 ZINC000746154163 1060052352 /nfs/dbraw/zinc/05/23/52/1060052352.db2.gz MPFJEFSZXPISAS-UHFFFAOYSA-N 1 0 346.402 4.401 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC001168811854 1060413360 /nfs/dbraw/zinc/41/33/60/1060413360.db2.gz DRIMFOQSTVPHTD-CQSZACIVSA-N 1 0 328.412 4.059 20 5 EIBDRO COc1ccccc1CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001168848372 1060481453 /nfs/dbraw/zinc/48/14/53/1060481453.db2.gz NGVNDLQKROERHS-UHFFFAOYSA-N 1 0 340.423 4.201 20 5 EIBDRO CC(C)(Cc1ccc2ccccc2c1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168975519 1060568547 /nfs/dbraw/zinc/56/85/47/1060568547.db2.gz WAECJZYYXXLFRL-LPHOPBHVSA-N 1 0 326.440 4.196 20 5 EIBDRO CC(C)(Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168998125 1060570561 /nfs/dbraw/zinc/57/05/61/1060570561.db2.gz IOBCIOVQZSEMKP-OCCSQVGLSA-N 1 0 344.377 4.062 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2c(Cl)ccc(Cl)c2Cl)C1 ZINC001168986987 1060581825 /nfs/dbraw/zinc/58/18/25/1060581825.db2.gz GWBRXWHJPLLSJS-DTWKUNHWSA-N 1 0 337.634 4.182 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)C1 ZINC001169033197 1060591500 /nfs/dbraw/zinc/59/15/00/1060591500.db2.gz BIYHWJQPDBYGNP-BSIFCXSSSA-N 1 0 336.435 4.080 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(c3ccc4ccccc4c3)CC2)C1 ZINC001169034007 1060592019 /nfs/dbraw/zinc/59/20/19/1060592019.db2.gz FBSKWIUSTIYEEX-IIBYNOLFSA-N 1 0 338.451 4.465 20 5 EIBDRO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1(C)C ZINC001169090595 1060645328 /nfs/dbraw/zinc/64/53/28/1060645328.db2.gz IPXPGFVTLIIFMS-NSHDSACASA-N 1 0 330.350 4.482 20 5 EIBDRO CC1(C)C[C@@H](Nc2ccnc3c2cccc3[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169151919 1060671055 /nfs/dbraw/zinc/67/10/55/1060671055.db2.gz NLHHCAUBBODVJQ-BFUOFWGJSA-N 1 0 342.443 4.099 20 5 EIBDRO CC1(C)C[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001169151920 1060671363 /nfs/dbraw/zinc/67/13/63/1060671363.db2.gz NLHHCAUBBODVJQ-DJJJIMSYSA-N 1 0 342.443 4.099 20 5 EIBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCC(C)(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC001169567071 1060860154 /nfs/dbraw/zinc/86/01/54/1060860154.db2.gz LYNDWQBWHHCVTB-HIFRSBDPSA-N 1 0 347.459 4.036 20 5 EIBDRO C[C@@H]([NH2+]CCc1ccc(OC(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000532187554 1032078600 /nfs/dbraw/zinc/07/86/00/1032078600.db2.gz MUVAUNAEHGVOIQ-GFCCVEGCSA-N 1 0 336.338 4.090 20 5 EIBDRO COc1ccc(C)cc1CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000532200319 1032085584 /nfs/dbraw/zinc/08/55/84/1032085584.db2.gz IIGHXJSWCLBVHB-HNNXBMFYSA-N 1 0 328.412 4.114 20 5 EIBDRO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000532218800 1032097005 /nfs/dbraw/zinc/09/70/05/1032097005.db2.gz XYAVKHIHHYPDQM-BKTGTZMESA-N 1 0 344.386 4.305 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000121768864 1032133990 /nfs/dbraw/zinc/13/39/90/1032133990.db2.gz JYCKSYNGSXLUHK-MLGOLLRUSA-N 1 0 328.368 4.125 20 5 EIBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCOc2ccccc21 ZINC000897383783 1032511691 /nfs/dbraw/zinc/51/16/91/1032511691.db2.gz ATUFQABYLGNPMY-QGZVFWFLSA-N 1 0 332.787 4.036 20 5 EIBDRO CCOc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000153842541 1018746190 /nfs/dbraw/zinc/74/61/90/1018746190.db2.gz LUUAPNHYKZJJNR-CQSZACIVSA-N 1 0 344.411 4.161 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000572616941 1032837180 /nfs/dbraw/zinc/83/71/80/1032837180.db2.gz LEYJGIYSALXGEM-DFQSSKMNSA-N 1 0 338.407 4.092 20 5 EIBDRO COC1(C)CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000500745747 1032858816 /nfs/dbraw/zinc/85/88/16/1032858816.db2.gz DHGLPBXRPWZEET-UHFFFAOYSA-N 1 0 346.452 4.324 20 5 EIBDRO CCN(CC)C[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000609222363 1019883640 /nfs/dbraw/zinc/88/36/40/1019883640.db2.gz FRPBTBDLZFQNOI-CQSZACIVSA-N 1 0 347.484 4.143 20 5 EIBDRO CC[C@H]([NH2+]C[C@@H](C[C@H](C)O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000247014399 1020349398 /nfs/dbraw/zinc/34/93/98/1020349398.db2.gz KLRGMCUPXJYAST-CVAIRZPRSA-N 1 0 342.439 4.190 20 5 EIBDRO Cc1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000120863254 1020548047 /nfs/dbraw/zinc/54/80/47/1020548047.db2.gz IQBLJAPCTZDOTG-PKOBYXMFSA-N 1 0 340.423 4.161 20 5 EIBDRO CC(C)C[N@H+](CCc1ccc(F)cc1)Cc1csc([N+](=O)[O-])c1 ZINC001167241318 1020653949 /nfs/dbraw/zinc/65/39/49/1020653949.db2.gz XNLDMLVQRFSTFG-UHFFFAOYSA-N 1 0 336.432 4.496 20 5 EIBDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000609902145 1020806107 /nfs/dbraw/zinc/80/61/07/1020806107.db2.gz KUZZEDPUCWOPJY-UGSOOPFHSA-N 1 0 348.830 4.422 20 5 EIBDRO O=[N+]([O-])c1ccc(N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c(F)c1 ZINC000610279238 1020910836 /nfs/dbraw/zinc/91/08/36/1020910836.db2.gz GSUJEKQTCBYAKM-IBGZPJMESA-N 1 0 343.402 4.373 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCCOc2cc(F)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000179963891 1021187396 /nfs/dbraw/zinc/18/73/96/1021187396.db2.gz PYNPYZCJBGVZJH-SJCJKPOMSA-N 1 0 330.359 4.298 20 5 EIBDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC001167386390 1021911384 /nfs/dbraw/zinc/91/13/84/1021911384.db2.gz FCNGPKXWJBHQPG-INIZCTEOSA-N 1 0 328.387 4.249 20 5 EIBDRO C[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1nc2c(s1)CCC2 ZINC000414159188 1021991666 /nfs/dbraw/zinc/99/16/66/1021991666.db2.gz VSZGHLDTUUPSTO-NHYWBVRUSA-N 1 0 343.452 4.268 20 5 EIBDRO CCOc1cc(C[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001167396955 1022006338 /nfs/dbraw/zinc/00/63/38/1022006338.db2.gz DCHWSUDNONGHOC-QAPCUYQASA-N 1 0 340.423 4.372 20 5 EIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCCc3ccsc3)CC2)cc1 ZINC000541174427 1022055341 /nfs/dbraw/zinc/05/53/41/1022055341.db2.gz JNGVHTMABBNYPE-UHFFFAOYSA-N 1 0 346.452 4.132 20 5 EIBDRO CC(C)[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001167405404 1022059080 /nfs/dbraw/zinc/05/90/80/1022059080.db2.gz DNDZQSRTUKLIQE-CQSZACIVSA-N 1 0 341.249 4.368 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc2cccnc21 ZINC000468629758 1022079435 /nfs/dbraw/zinc/07/94/35/1022079435.db2.gz JFLIVEDXMRUFHS-RVDMUPIBSA-N 1 0 333.391 4.336 20 5 EIBDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000549037502 1022201518 /nfs/dbraw/zinc/20/15/18/1022201518.db2.gz HHJZUZDCGBSARR-SGTLLEGYSA-N 1 0 344.386 4.389 20 5 EIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnccc1C(C)(C)C ZINC000414235258 1022246009 /nfs/dbraw/zinc/24/60/09/1022246009.db2.gz UAQCLYXUAWHCEA-AWEZNQCLSA-N 1 0 327.428 4.008 20 5 EIBDRO CC[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)OC ZINC000580643735 1022341623 /nfs/dbraw/zinc/34/16/23/1022341623.db2.gz GQCDUMOVKVHZLE-LBPRGKRZSA-N 1 0 338.791 4.023 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCC3=CCCC3)cs2)c1 ZINC000120129303 1022346853 /nfs/dbraw/zinc/34/68/53/1022346853.db2.gz SHKOMAFXEVUEDE-UHFFFAOYSA-N 1 0 329.425 4.308 20 5 EIBDRO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000378187200 1022502215 /nfs/dbraw/zinc/50/22/15/1022502215.db2.gz ZKDBQEGCIIVMBY-CXAGYDPISA-N 1 0 342.395 4.086 20 5 EIBDRO CCC[C@H](NC1CC[NH+](CC(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000177836419 1022614772 /nfs/dbraw/zinc/61/47/72/1022614772.db2.gz GQJOYKCPFJOZEN-IBGZPJMESA-N 1 0 333.476 4.146 20 5 EIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(C(F)(F)F)s1 ZINC000549411756 1022650712 /nfs/dbraw/zinc/65/07/12/1022650712.db2.gz TYJPFKYPACQZMH-UHFFFAOYSA-N 1 0 344.358 4.350 20 5 EIBDRO CCCOc1ccc(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)cn1 ZINC000156692255 1022719771 /nfs/dbraw/zinc/71/97/71/1022719771.db2.gz JPJVGOKROOKPQR-QGZVFWFLSA-N 1 0 329.400 4.020 20 5 EIBDRO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000156732420 1022739816 /nfs/dbraw/zinc/73/98/16/1022739816.db2.gz SJTCUGYFGLHQGI-OAHLLOKOSA-N 1 0 344.415 4.045 20 5 EIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(F)c(F)c1 ZINC000581003863 1022793414 /nfs/dbraw/zinc/79/34/14/1022793414.db2.gz KLCFVBISFDEAEA-LLVKDONJSA-N 1 0 345.349 4.248 20 5 EIBDRO COc1cc(Cl)ccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000156822852 1022850507 /nfs/dbraw/zinc/85/05/07/1022850507.db2.gz BVUZXTLGEICWLD-LBPRGKRZSA-N 1 0 334.803 4.416 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccccc1N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000181267763 1022912151 /nfs/dbraw/zinc/91/21/51/1022912151.db2.gz RNLNZHILZRYLLE-MRXNPFEDSA-N 1 0 339.439 4.436 20 5 EIBDRO Cc1c([C@H](C)[NH2+]CCc2csc(C(C)C)n2)cccc1[N+](=O)[O-] ZINC000156985418 1022927526 /nfs/dbraw/zinc/92/75/26/1022927526.db2.gz QJKUWSIAQROBQI-ZDUSSCGKSA-N 1 0 333.457 4.376 20 5 EIBDRO Cc1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c2c(n1)CCCC2 ZINC000893279229 1023053635 /nfs/dbraw/zinc/05/36/35/1023053635.db2.gz MXNNNVVJBFEZPX-CQSZACIVSA-N 1 0 325.412 4.028 20 5 EIBDRO Cc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000189466912 1023057884 /nfs/dbraw/zinc/05/78/84/1023057884.db2.gz RLJFIAXYZSLYQS-PBHICJAKSA-N 1 0 326.396 4.386 20 5 EIBDRO CSc1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000589316838 1023124551 /nfs/dbraw/zinc/12/45/51/1023124551.db2.gz FKISYVCVACQTNL-UHFFFAOYSA-N 1 0 342.873 4.364 20 5 EIBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312992 1023257753 /nfs/dbraw/zinc/25/77/53/1023257753.db2.gz UJTQYUVVXZGZIU-KZULUSFZSA-N 1 0 343.427 4.360 20 5 EIBDRO CC(C)c1ccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000414814310 1023339516 /nfs/dbraw/zinc/33/95/16/1023339516.db2.gz VFIDNVASHKOVLP-AWEZNQCLSA-N 1 0 327.428 4.028 20 5 EIBDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000126566483 1023368313 /nfs/dbraw/zinc/36/83/13/1023368313.db2.gz XOUAYJYQQSBTDS-OAHLLOKOSA-N 1 0 344.411 4.103 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCC[C@H](c2cccnc2)C1)c1ccccc1[N+](=O)[O-] ZINC000337418987 1023611712 /nfs/dbraw/zinc/61/17/12/1023611712.db2.gz FAGORJILQWHWAL-ZOBUZTSGSA-N 1 0 325.412 4.367 20 5 EIBDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910014 1023676752 /nfs/dbraw/zinc/67/67/52/1023676752.db2.gz OUMQOOVSNOGTSS-LBPRGKRZSA-N 1 0 333.457 4.376 20 5 EIBDRO COc1cc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)ccc1SC ZINC000090910149 1023679717 /nfs/dbraw/zinc/67/97/17/1023679717.db2.gz MTLOJAKLIIFCPL-ZDUSSCGKSA-N 1 0 346.452 4.219 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)c1ncc(C)s1 ZINC000468615704 1023695990 /nfs/dbraw/zinc/69/59/90/1023695990.db2.gz QQYOSOAVWOOOJW-FFXRNRBCSA-N 1 0 331.441 4.156 20 5 EIBDRO COc1ccc(C[NH2+][C@]2(c3ccc(Cl)cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000500428906 1023825696 /nfs/dbraw/zinc/82/56/96/1023825696.db2.gz RRVXHVANSZVIDN-KPZWWZAWSA-N 1 0 346.814 4.282 20 5 EIBDRO C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000610575360 1023959429 /nfs/dbraw/zinc/95/94/29/1023959429.db2.gz GAFFHALHCDFCEN-JTQLQIEISA-N 1 0 340.301 4.170 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430751373 1024010178 /nfs/dbraw/zinc/01/01/78/1024010178.db2.gz VRTHHEDBXXVUPP-IJEWVQPXSA-N 1 0 338.398 4.331 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1ccc(OC)cc1OC)c1cccc([N+](=O)[O-])c1 ZINC000104151691 1024064793 /nfs/dbraw/zinc/06/47/93/1024064793.db2.gz ZGXKNIAQTZXRHQ-GOSISDBHSA-N 1 0 344.411 4.243 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(C4CCCC4)CC3)nc2c1 ZINC000610582464 1024126076 /nfs/dbraw/zinc/12/60/76/1024126076.db2.gz JVNVARIBQMJPIF-UHFFFAOYSA-N 1 0 329.400 4.138 20 5 EIBDRO CCn1nccc1C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000278845411 1024153795 /nfs/dbraw/zinc/15/37/95/1024153795.db2.gz JRAQKAOPUUFOFQ-OAHLLOKOSA-N 1 0 342.443 4.060 20 5 EIBDRO Cc1c(C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000430995268 1024375574 /nfs/dbraw/zinc/37/55/74/1024375574.db2.gz CYICQFXLYRJHTD-OAHLLOKOSA-N 1 0 344.436 4.202 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCOC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000127387653 1024412860 /nfs/dbraw/zinc/41/28/60/1024412860.db2.gz OKERCBIDALBEIP-HOTGVXAUSA-N 1 0 332.444 4.436 20 5 EIBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2csc(Cl)c2Cl)c1 ZINC000432258529 1024787459 /nfs/dbraw/zinc/78/74/59/1024787459.db2.gz ZKZZFPRQKNHEEI-UHFFFAOYSA-N 1 0 331.224 4.295 20 5 EIBDRO CC(C)c1ccc(C[NH2+]CCCOc2ccccc2)cc1[N+](=O)[O-] ZINC000610764433 1024831296 /nfs/dbraw/zinc/83/12/96/1024831296.db2.gz KQYDELFGQMWTNG-UHFFFAOYSA-N 1 0 328.412 4.277 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000535777644 1024936320 /nfs/dbraw/zinc/93/63/20/1024936320.db2.gz KYBKGIHKUUZASV-ZIAGYGMSSA-N 1 0 346.431 4.183 20 5 EIBDRO CC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@H]1CCOC1 ZINC000611256750 1025343982 /nfs/dbraw/zinc/34/39/82/1025343982.db2.gz WHADQWQJTNNKIH-CQSZACIVSA-N 1 0 346.452 4.182 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000071953151 1025853748 /nfs/dbraw/zinc/85/37/48/1025853748.db2.gz OOSWVSYFBMFEPJ-UHFFFAOYSA-N 1 0 328.387 4.189 20 5 EIBDRO COc1ccc([C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C(C)C)cc1 ZINC000182054975 1026021794 /nfs/dbraw/zinc/02/17/94/1026021794.db2.gz ZXXURKOVKUUMOK-LJQANCHMSA-N 1 0 328.412 4.399 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1ccc(OC)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000178530462 1026037910 /nfs/dbraw/zinc/03/79/10/1026037910.db2.gz CYCYILVQLJNYFT-QGZVFWFLSA-N 1 0 332.375 4.374 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@H]2CCOC3(CCC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000279185426 1026185850 /nfs/dbraw/zinc/18/58/50/1026185850.db2.gz VYFZAEWVMMCUOH-GUYCJALGSA-N 1 0 330.428 4.009 20 5 EIBDRO Cc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c2ccccc2n1 ZINC000511105829 1026511288 /nfs/dbraw/zinc/51/12/88/1026511288.db2.gz KNDNWYTUJVMXAX-UHFFFAOYSA-N 1 0 335.407 4.126 20 5 EIBDRO Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000478224732 1026521316 /nfs/dbraw/zinc/52/13/16/1026521316.db2.gz GVROORIDCBPZTE-MOPGFXCFSA-N 1 0 344.386 4.052 20 5 EIBDRO Cc1cnc(C2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000277573757 1026552296 /nfs/dbraw/zinc/55/22/96/1026552296.db2.gz YEWCMIOYHUOQII-ZDUSSCGKSA-N 1 0 331.441 4.300 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000158212672 1026565013 /nfs/dbraw/zinc/56/50/13/1026565013.db2.gz ZBWQQLRIFCHHHK-SYNHAJSKSA-N 1 0 340.423 4.474 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2cccc(OC(F)F)c2)C2CC2)c1 ZINC000507175598 1026675675 /nfs/dbraw/zinc/67/56/75/1026675675.db2.gz WOLRFVWODCHZBC-UHFFFAOYSA-N 1 0 348.349 4.361 20 5 EIBDRO CCOc1cc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000302067148 1026676972 /nfs/dbraw/zinc/67/69/72/1026676972.db2.gz WODZTVBPCLTOBV-CABCVRRESA-N 1 0 347.459 4.058 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]CCc2cc(F)c(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000507424795 1026790038 /nfs/dbraw/zinc/79/00/38/1026790038.db2.gz UGLIDCIJSREHMU-LLVKDONJSA-N 1 0 338.329 4.214 20 5 EIBDRO C[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000479461283 1026817756 /nfs/dbraw/zinc/81/77/56/1026817756.db2.gz AETLWOZIXDBYJX-INIZCTEOSA-N 1 0 339.439 4.162 20 5 EIBDRO CC1(C)CC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000507715540 1026885886 /nfs/dbraw/zinc/88/58/86/1026885886.db2.gz DRPVFLBRXUWVTE-ZDUSSCGKSA-N 1 0 331.441 4.387 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2nc3ccccc3s2)c(Cl)c1 ZINC000612174588 1027451530 /nfs/dbraw/zinc/45/15/30/1027451530.db2.gz KEZGITOHFBDYBG-UHFFFAOYSA-N 1 0 347.827 4.190 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000178685400 1027475804 /nfs/dbraw/zinc/47/58/04/1027475804.db2.gz KKWZITJGBUXHRZ-STQMWFEESA-N 1 0 329.356 4.223 20 5 EIBDRO CO[C@]1(C)CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000475561914 1027613075 /nfs/dbraw/zinc/61/30/75/1027613075.db2.gz RRIBOENSMQOQKL-LJQANCHMSA-N 1 0 344.411 4.246 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CCOCc3ccccc3)CC2)cc1 ZINC000185713208 1027639178 /nfs/dbraw/zinc/63/91/78/1027639178.db2.gz KEUOCMLWAAUOAX-UHFFFAOYSA-N 1 0 340.423 4.072 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184486679 1027719922 /nfs/dbraw/zinc/71/99/22/1027719922.db2.gz YPECZGPFXWWMNA-HZPDHXFCSA-N 1 0 348.443 4.018 20 5 EIBDRO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCCC[C@@H]1C ZINC000444674942 1027957350 /nfs/dbraw/zinc/95/73/50/1027957350.db2.gz KZNCXFNLAAKULX-BBRMVZONSA-N 1 0 344.415 4.045 20 5 EIBDRO CSc1ccccc1[C@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000440630149 1028271043 /nfs/dbraw/zinc/27/10/43/1028271043.db2.gz VXLMHIBUQIFDKC-ZDUSSCGKSA-N 1 0 332.425 4.046 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000268801782 1028276199 /nfs/dbraw/zinc/27/61/99/1028276199.db2.gz KLKRBLBLOZNLDW-SUMWQHHRSA-N 1 0 344.411 4.414 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1ccccc1SC ZINC000440643498 1028285541 /nfs/dbraw/zinc/28/55/41/1028285541.db2.gz JBRJHOJECWUOQP-LBPRGKRZSA-N 1 0 332.425 4.176 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000245536684 1028871888 /nfs/dbraw/zinc/87/18/88/1028871888.db2.gz XRCMJIABLYPHHC-ZIAGYGMSSA-N 1 0 331.441 4.300 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000248643123 1029007295 /nfs/dbraw/zinc/00/72/95/1029007295.db2.gz YPECZGPFXWWMNA-HOTGVXAUSA-N 1 0 348.443 4.018 20 5 EIBDRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000445996901 1029063200 /nfs/dbraw/zinc/06/32/00/1029063200.db2.gz SULVLRLHKSXNKT-SJORKVTESA-N 1 0 326.396 4.029 20 5 EIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCSCC1 ZINC000475197863 1029429283 /nfs/dbraw/zinc/42/92/83/1029429283.db2.gz YYFJOHNLQURZBO-JTQLQIEISA-N 1 0 348.390 4.235 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(C(F)F)CC3)s2)cc1 ZINC000475217001 1029447798 /nfs/dbraw/zinc/44/77/98/1029447798.db2.gz QWWMRJIMCPGBMV-UHFFFAOYSA-N 1 0 338.379 4.458 20 5 EIBDRO C[C@H](CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)OCc1ccccc1 ZINC000475311726 1029522114 /nfs/dbraw/zinc/52/21/14/1029522114.db2.gz VXBVCXUJAJCOHZ-CVEARBPZSA-N 1 0 328.412 4.241 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(OCC3CCCCC3)CC2)cc1 ZINC000525272092 1029545458 /nfs/dbraw/zinc/54/54/58/1029545458.db2.gz DGMXGQOPRZVLKV-UHFFFAOYSA-N 1 0 346.471 4.199 20 5 EIBDRO Cc1cc(Cl)cc(C)c1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446847659 1029601646 /nfs/dbraw/zinc/60/16/46/1029601646.db2.gz NTRNCXPIZACQGJ-UHFFFAOYSA-N 1 0 344.802 4.031 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)c1cccc(C)c1 ZINC000525459618 1029643440 /nfs/dbraw/zinc/64/34/40/1029643440.db2.gz OVISSAKPERKXBD-HNNXBMFYSA-N 1 0 328.412 4.195 20 5 EIBDRO COc1ccc([C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C2CC2)cc1 ZINC000584361494 1029763013 /nfs/dbraw/zinc/76/30/13/1029763013.db2.gz SDDIUOYLLYNQJJ-UYAOXDASSA-N 1 0 338.407 4.332 20 5 EIBDRO C[C@@H]([NH2+]C1(Cc2ccccc2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000451938163 1029858261 /nfs/dbraw/zinc/85/82/61/1029858261.db2.gz IGKPJCUQYVCBEZ-MRXNPFEDSA-N 1 0 340.423 4.037 20 5 EIBDRO Cc1ccc(OC(F)F)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000480469265 1030126810 /nfs/dbraw/zinc/12/68/10/1030126810.db2.gz LZTULEBSIXMPKL-UHFFFAOYSA-N 1 0 336.338 4.103 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3ccccc3n1)CCC2 ZINC000447531065 1030135245 /nfs/dbraw/zinc/13/52/45/1030135245.db2.gz OIOVKLLAGFLLIG-FQEVSTJZSA-N 1 0 333.391 4.310 20 5 EIBDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000447534430 1030138624 /nfs/dbraw/zinc/13/86/24/1030138624.db2.gz XGKGOQFTPZFWNK-BFUOFWGJSA-N 1 0 326.396 4.332 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCOc3ccccc31)CCC2 ZINC000447536360 1030141716 /nfs/dbraw/zinc/14/17/16/1030141716.db2.gz MQGXEUSYEQMEPC-KXBFYZLASA-N 1 0 338.407 4.128 20 5 EIBDRO COc1ccc(C2([NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000447583279 1030185926 /nfs/dbraw/zinc/18/59/26/1030185926.db2.gz BDDDWVVGGAIQJT-LJQANCHMSA-N 1 0 338.407 4.260 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000127500405 1030193541 /nfs/dbraw/zinc/19/35/41/1030193541.db2.gz WZRYPLJVYXWPCL-HZPDHXFCSA-N 1 0 332.444 4.436 20 5 EIBDRO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccc1Cl ZINC000447604673 1030226908 /nfs/dbraw/zinc/22/69/08/1030226908.db2.gz CAFTXMSDYRSANG-HOTGVXAUSA-N 1 0 348.834 4.027 20 5 EIBDRO COc1cc(C[NH2+][C@H](C)c2cccc(C3CC3)c2)ccc1[N+](=O)[O-] ZINC000451111158 1030239636 /nfs/dbraw/zinc/23/96/36/1030239636.db2.gz DPHLTTPCVNCHKT-CYBMUJFWSA-N 1 0 326.396 4.332 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCSC2)ccc1Oc1ccc(F)cc1 ZINC000526991639 1030384228 /nfs/dbraw/zinc/38/42/28/1030384228.db2.gz ULMBDFBWGAVZNQ-CQSZACIVSA-N 1 0 348.399 4.121 20 5 EIBDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000526994503 1030391377 /nfs/dbraw/zinc/39/13/77/1030391377.db2.gz GWTIKENDVWBHFS-ZFWWWQNUSA-N 1 0 328.412 4.194 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2CCC2CCCC2)cc1 ZINC001168175578 1030680662 /nfs/dbraw/zinc/68/06/62/1030680662.db2.gz OKNQIRVEPUWKCA-HKUYNNGSSA-N 1 0 332.444 4.063 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CC34CCCC4)cs2)c1 ZINC000428549030 1030824518 /nfs/dbraw/zinc/82/45/18/1030824518.db2.gz PDOAPGZCEAKHHX-HNNXBMFYSA-N 1 0 329.425 4.141 20 5 EIBDRO Cc1c(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000051429683 1030856164 /nfs/dbraw/zinc/85/61/64/1030856164.db2.gz ZYWIHQMIUGQRNK-INIZCTEOSA-N 1 0 346.452 4.146 20 5 EIBDRO COc1ccc(C[N@H+](Cc2ccco2)C2CCCC2)cc1[N+](=O)[O-] ZINC000052077267 1030965001 /nfs/dbraw/zinc/96/50/01/1030965001.db2.gz IFLSSXQVINFCCP-UHFFFAOYSA-N 1 0 330.384 4.141 20 5 EIBDRO CCCOc1ccc(C(C)(C)[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000475675785 1030972853 /nfs/dbraw/zinc/97/28/53/1030972853.db2.gz OBRHARIEMOKRBN-UHFFFAOYSA-N 1 0 334.441 4.470 20 5 EIBDRO Cc1ncc(CN(C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)s1 ZINC000179382196 1031039595 /nfs/dbraw/zinc/03/95/95/1031039595.db2.gz BTKUCGQBULRUDY-UHFFFAOYSA-N 1 0 343.408 4.252 20 5 EIBDRO Cc1ccc(C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000532469707 1031160134 /nfs/dbraw/zinc/16/01/34/1031160134.db2.gz CNPGMFQDSLJRCB-MRXNPFEDSA-N 1 0 344.386 4.434 20 5 EIBDRO C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000532550676 1031267463 /nfs/dbraw/zinc/26/74/63/1031267463.db2.gz XZWMGAANQAJBOR-UGSOOPFHSA-N 1 0 347.846 4.202 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(C)cc1 ZINC000179695905 1031277831 /nfs/dbraw/zinc/27/78/31/1031277831.db2.gz QBJIRWSRMBJPAF-GOSISDBHSA-N 1 0 342.395 4.011 20 5 EIBDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897460157 1031387276 /nfs/dbraw/zinc/38/72/76/1031387276.db2.gz FIXDXJWFRAJMFJ-QIPPXTIRSA-N 1 0 342.376 4.011 20 5 EIBDRO C[C@H](C[NH2+][C@H]1CCOC2(CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897461084 1031391609 /nfs/dbraw/zinc/39/16/09/1031391609.db2.gz YOOGYEMRHJSYAM-CVEARBPZSA-N 1 0 332.444 4.170 20 5 EIBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000520194989 1031400543 /nfs/dbraw/zinc/40/05/43/1031400543.db2.gz OMZVMQJFSJJTSO-OAHLLOKOSA-N 1 0 342.439 4.365 20 5 EIBDRO Cc1[nH]c2ccccc2c1CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449116414 1031454542 /nfs/dbraw/zinc/45/45/42/1031454542.db2.gz PRDMSGDAHSUFPW-CQSZACIVSA-N 1 0 337.423 4.148 20 5 EIBDRO CC(C)Oc1ccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000531687827 1031461401 /nfs/dbraw/zinc/46/14/01/1031461401.db2.gz SSOUMSKGSNAVFK-HNNXBMFYSA-N 1 0 328.412 4.275 20 5 EIBDRO CCN(CC)[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000531706668 1031491448 /nfs/dbraw/zinc/49/14/48/1031491448.db2.gz RPQIJPNLWBHLHG-MAUKXSAKSA-N 1 0 345.443 4.230 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000449171244 1031491774 /nfs/dbraw/zinc/49/17/74/1031491774.db2.gz HURLICXONQQSBW-DNOWBOINSA-N 1 0 344.377 4.484 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449251125 1031566966 /nfs/dbraw/zinc/56/69/66/1031566966.db2.gz NCYKTHZSBOZMBP-TYILLQQXSA-N 1 0 346.402 4.031 20 5 EIBDRO COc1ccc(C)cc1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000615720490 1031568761 /nfs/dbraw/zinc/56/87/61/1031568761.db2.gz QOELTSWQRIFGFC-DHDCSXOGSA-N 1 0 326.396 4.105 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449245515 1031582263 /nfs/dbraw/zinc/58/22/63/1031582263.db2.gz BMIVKBISBUDJRF-KSMMKXTCSA-N 1 0 346.402 4.031 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453222235 1031740245 /nfs/dbraw/zinc/74/02/45/1031740245.db2.gz KZGMSUQFIUJAQE-QSFXBCCZSA-N 1 0 339.439 4.081 20 5 EIBDRO Cc1nc(C)c(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000449494316 1031804228 /nfs/dbraw/zinc/80/42/28/1031804228.db2.gz ABZONKVMFVGYAP-HNNXBMFYSA-N 1 0 331.441 4.048 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2CCOC3(CCC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000453318581 1031843802 /nfs/dbraw/zinc/84/38/02/1031843802.db2.gz MSAMIQLHSLPVGS-KBXCAEBGSA-N 1 0 344.455 4.256 20 5 EIBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CCOC3(CCC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000453318582 1031844210 /nfs/dbraw/zinc/84/42/10/1031844210.db2.gz MSAMIQLHSLPVGS-KDOFPFPSSA-N 1 0 344.455 4.256 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000449629491 1031889106 /nfs/dbraw/zinc/88/91/06/1031889106.db2.gz UFPCJFGKIUIEHC-OJTKRLQFSA-N 1 0 344.436 4.179 20 5 EIBDRO CC[C@@H](COC)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000531969743 1031901289 /nfs/dbraw/zinc/90/12/89/1031901289.db2.gz HCVKHNBLZVZDII-OLZOCXBDSA-N 1 0 334.441 4.399 20 5 EIBDRO Cc1cc(C)c(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000453362147 1031903370 /nfs/dbraw/zinc/90/33/70/1031903370.db2.gz NLTJMSDMMPEHLT-GOSISDBHSA-N 1 0 325.412 4.119 20 5 EIBDRO CCC[C@@H]([NH2+][C@H](CO)c1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000531995087 1031962849 /nfs/dbraw/zinc/96/28/49/1031962849.db2.gz WZERUZYVXGRGIT-RTBURBONSA-N 1 0 328.412 4.068 20 5 EIBDRO CC1(C)CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)Cc2ccccc21 ZINC000536238218 1033357579 /nfs/dbraw/zinc/35/75/79/1033357579.db2.gz IOVQLSRFBHRZNS-UHFFFAOYSA-N 1 0 337.379 4.029 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@H]2c3ccccc3O[C@H]2C)cc1[N+](=O)[O-] ZINC000573640640 1033415930 /nfs/dbraw/zinc/41/59/30/1033415930.db2.gz GBRSWFXGKRLQCN-ORAYPTAESA-N 1 0 326.396 4.330 20 5 EIBDRO Cc1cnc(C2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000432959764 1033495463 /nfs/dbraw/zinc/49/54/63/1033495463.db2.gz KQWPZPRPQNSNBH-GQCTYLIASA-N 1 0 343.452 4.253 20 5 EIBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC(C)(C)C1 ZINC000542251769 1033799250 /nfs/dbraw/zinc/79/92/50/1033799250.db2.gz AXMXONBWQVFMSG-AWEZNQCLSA-N 1 0 343.427 4.160 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](c4ccccc4)C3)nc2c1 ZINC000433083671 1033816142 /nfs/dbraw/zinc/81/61/42/1033816142.db2.gz QGRMCBMPLSQCTJ-OAHLLOKOSA-N 1 0 337.379 4.116 20 5 EIBDRO CCc1ccc([C@H]([NH2+]CC2(SC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000433094058 1033838998 /nfs/dbraw/zinc/83/89/98/1033838998.db2.gz SZNGPEGUIYHZMP-QGZVFWFLSA-N 1 0 346.452 4.325 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@H]2CCc3c2cccc3O)c2cc([N+](=O)[O-])ccc21 ZINC000433125195 1033895108 /nfs/dbraw/zinc/89/51/08/1033895108.db2.gz IJLZCKPZNSZUAJ-ROUUACIJSA-N 1 0 338.407 4.300 20 5 EIBDRO Cc1nc(C)c(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000433127980 1033899604 /nfs/dbraw/zinc/89/96/04/1033899604.db2.gz VEDFTQAWXLRVDO-INIZCTEOSA-N 1 0 345.468 4.223 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(F)cc2F)c2cc([N+](=O)[O-])ccc21 ZINC000433171086 1033976325 /nfs/dbraw/zinc/97/63/25/1033976325.db2.gz CEIJNXFROYNXOE-QGZVFWFLSA-N 1 0 332.350 4.385 20 5 EIBDRO COC[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000433220420 1034067277 /nfs/dbraw/zinc/06/72/77/1034067277.db2.gz LDUDXFZRCHGQTE-OALUTQOASA-N 1 0 340.423 4.295 20 5 EIBDRO C[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1nccs1 ZINC000433239760 1034077208 /nfs/dbraw/zinc/07/72/08/1034077208.db2.gz LVKYCIUBROXLIX-NHYWBVRUSA-N 1 0 331.441 4.167 20 5 EIBDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000512894585 1034136739 /nfs/dbraw/zinc/13/67/39/1034136739.db2.gz KYGWSUKDGFBXEW-ZIAGYGMSSA-N 1 0 346.452 4.086 20 5 EIBDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000512896558 1034140146 /nfs/dbraw/zinc/14/01/46/1034140146.db2.gz VUWDCIPDQJSJQQ-DZGCQCFKSA-N 1 0 346.452 4.086 20 5 EIBDRO CC1(C)[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)[C@H]2CCCO[C@@H]21 ZINC000433281834 1034150113 /nfs/dbraw/zinc/15/01/13/1034150113.db2.gz LAYIGTFQILRTBT-RNJTYBCJSA-N 1 0 344.455 4.110 20 5 EIBDRO COCCC1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000433286990 1034175095 /nfs/dbraw/zinc/17/50/95/1034175095.db2.gz OSBYYOUVWKMIMK-KRWDZBQOSA-N 1 0 332.444 4.114 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc2[nH]c(C)cc2c1 ZINC000513094740 1034576643 /nfs/dbraw/zinc/57/66/43/1034576643.db2.gz JTSODBBAEWYPJF-UHFFFAOYSA-N 1 0 339.395 4.073 20 5 EIBDRO Cc1ccc(CN(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC000513402446 1034917629 /nfs/dbraw/zinc/91/76/29/1034917629.db2.gz XADRATLWBJYREJ-UHFFFAOYSA-N 1 0 342.367 4.198 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC(F)(F)C3)o2)cc1 ZINC000430038701 1035448887 /nfs/dbraw/zinc/44/88/87/1035448887.db2.gz WVCWROQRGKTOBR-GFCCVEGCSA-N 1 0 336.338 4.380 20 5 EIBDRO COc1cccc(C2(NCc3ccc([N+](=O)[O-])cc3Cl)CCC2)c1 ZINC000594997262 1035522472 /nfs/dbraw/zinc/52/24/72/1035522472.db2.gz JXNZXHJMIYQOBZ-UHFFFAOYSA-N 1 0 346.814 4.426 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCSc2ccccc21 ZINC000595007216 1035532842 /nfs/dbraw/zinc/53/28/42/1035532842.db2.gz KCVXDABUFGIZQJ-LRDDRELGSA-N 1 0 344.436 4.491 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000595034498 1035560971 /nfs/dbraw/zinc/56/09/71/1035560971.db2.gz WECFLZRSZAOCBM-NSHDSACASA-N 1 0 336.338 4.392 20 5 EIBDRO CCO[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000595039159 1035563469 /nfs/dbraw/zinc/56/34/69/1035563469.db2.gz DEZKBKFVQNSMCX-LIRRHRJNSA-N 1 0 344.411 4.032 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)c1ccccn1 ZINC000595047725 1035568256 /nfs/dbraw/zinc/56/82/56/1035568256.db2.gz GBMDYBJAVGAKLE-GJZGRUSLSA-N 1 0 345.468 4.254 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCCc1nc(C)cs1 ZINC000595045358 1035568810 /nfs/dbraw/zinc/56/88/10/1035568810.db2.gz ZACLZFMLPTXQBB-ZDUSSCGKSA-N 1 0 349.456 4.042 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCCc1nc(C)cs1 ZINC000595045356 1035568947 /nfs/dbraw/zinc/56/89/47/1035568947.db2.gz ZACLZFMLPTXQBB-CYBMUJFWSA-N 1 0 349.456 4.042 20 5 EIBDRO C[C@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000595047672 1035569482 /nfs/dbraw/zinc/56/94/82/1035569482.db2.gz DZRZDKDDYHMZAW-KUHUBIRLSA-N 1 0 325.412 4.151 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000595050438 1035572398 /nfs/dbraw/zinc/57/23/98/1035572398.db2.gz IIRKWYDXVKOLBT-UNXYVOJBSA-N 1 0 328.359 4.078 20 5 EIBDRO COCc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)ccc1F ZINC000151204402 1035576068 /nfs/dbraw/zinc/57/60/68/1035576068.db2.gz LEFWJJNGDWWBEU-CYBMUJFWSA-N 1 0 332.375 4.040 20 5 EIBDRO C[C@H](O)[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000595105799 1035587327 /nfs/dbraw/zinc/58/73/27/1035587327.db2.gz YTCZTVHHLXTIOQ-AGRHKRQWSA-N 1 0 340.423 4.029 20 5 EIBDRO CC(C)[C@H](O)[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000595094097 1035605528 /nfs/dbraw/zinc/60/55/28/1035605528.db2.gz CLOFTLMLYWCDEK-JVPBZIDWSA-N 1 0 328.412 4.004 20 5 EIBDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000485070512 1035658372 /nfs/dbraw/zinc/65/83/72/1035658372.db2.gz CYACQEPXTWQXQK-AWEZNQCLSA-N 1 0 344.411 4.195 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595789234 1035794694 /nfs/dbraw/zinc/79/46/94/1035794694.db2.gz PVRVJJQIOOMAKW-FCEWJHQRSA-N 1 0 332.444 4.245 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491061993 1035799035 /nfs/dbraw/zinc/79/90/35/1035799035.db2.gz PJFGFMXZMREVRC-ROUUACIJSA-N 1 0 345.487 4.244 20 5 EIBDRO Cc1c([C@H](C)[NH2+]Cc2cnccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000596117441 1035820867 /nfs/dbraw/zinc/82/08/67/1035820867.db2.gz GHBFOMPMNKGYRF-NSHDSACASA-N 1 0 339.317 4.168 20 5 EIBDRO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(C)s2)ccc1[N+](=O)[O-] ZINC000485459155 1035892516 /nfs/dbraw/zinc/89/25/16/1035892516.db2.gz WMIZBNMHBJMRGL-OAHLLOKOSA-N 1 0 332.425 4.310 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)F)ccc1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596571583 1035898113 /nfs/dbraw/zinc/89/81/13/1035898113.db2.gz WUQJPVDSGWHKLW-ZDUSSCGKSA-N 1 0 339.386 4.066 20 5 EIBDRO COc1cc(N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000571339625 1036029915 /nfs/dbraw/zinc/02/99/15/1036029915.db2.gz MHTXONVGXOIPRY-LIRRHRJNSA-N 1 0 343.427 4.015 20 5 EIBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])s2)[C@@H]1c1cccs1 ZINC000078338324 1036067517 /nfs/dbraw/zinc/06/75/17/1036067517.db2.gz QJBGYZQFGUKPKZ-XHDPSFHLSA-N 1 0 337.470 4.213 20 5 EIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H](C)c1cccc(OC)c1 ZINC000485801836 1036283838 /nfs/dbraw/zinc/28/38/38/1036283838.db2.gz QVEQJJFLQQBWET-CQSZACIVSA-N 1 0 344.411 4.195 20 5 EIBDRO CC(C)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1 ZINC000502525533 1036290136 /nfs/dbraw/zinc/29/01/36/1036290136.db2.gz UZDDYTIXEPZWMK-GOSISDBHSA-N 1 0 342.374 4.097 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC12CCSCC2 ZINC000421374884 1036323896 /nfs/dbraw/zinc/32/38/96/1036323896.db2.gz HYRGBYYRGFVEMS-GOEBONIOSA-N 1 0 334.485 4.039 20 5 EIBDRO CC[C@@H]1C[C@]1([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1cccc(C)c1 ZINC000502596399 1036388484 /nfs/dbraw/zinc/38/84/84/1036388484.db2.gz QAJHBNGVMPDKFW-OXQOHEQNSA-N 1 0 340.423 4.327 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602886123 1036659882 /nfs/dbraw/zinc/65/98/82/1036659882.db2.gz HBOVWDSAJKYDTE-ZBFHGGJFSA-N 1 0 348.406 4.089 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000602905883 1036669056 /nfs/dbraw/zinc/66/90/56/1036669056.db2.gz VCOAKXCPCCZPGC-CYBMUJFWSA-N 1 0 329.375 4.070 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000589200206 1036706559 /nfs/dbraw/zinc/70/65/59/1036706559.db2.gz WJKXSVIJKNQLJS-QMBNUAFSSA-N 1 0 344.455 4.137 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@H](C4CC4)C3)cs2)c1 ZINC000589209291 1036710658 /nfs/dbraw/zinc/71/06/58/1036710658.db2.gz BYKIDDMQEHNUEH-HNNXBMFYSA-N 1 0 343.452 4.340 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@H]3CC3(F)F)s2)cc1 ZINC000598649968 1036738841 /nfs/dbraw/zinc/73/88/41/1036738841.db2.gz VWTOGYZMBAAVCE-LBPRGKRZSA-N 1 0 338.379 4.458 20 5 EIBDRO CSc1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000589319572 1036744971 /nfs/dbraw/zinc/74/49/71/1036744971.db2.gz FLBVJHSRCOTNJI-UHFFFAOYSA-N 1 0 347.465 4.192 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC34CCCC4)cs2)c1 ZINC000593644702 1036819188 /nfs/dbraw/zinc/81/91/88/1036819188.db2.gz DYYODMARSCYUIQ-UHFFFAOYSA-N 1 0 329.425 4.237 20 5 EIBDRO CC[C@H]([NH2+]C[C@H](OC)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000599059347 1036864662 /nfs/dbraw/zinc/86/46/62/1036864662.db2.gz AIVLWQZNSWNTHD-OALUTQOASA-N 1 0 344.411 4.032 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)CCC2 ZINC000599067446 1036868174 /nfs/dbraw/zinc/86/81/74/1036868174.db2.gz DQPCXDNITLIGKP-ICSRJNTNSA-N 1 0 337.423 4.498 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](c2ccccn2)C2CCC2)cc1[N+](=O)[O-] ZINC000599067380 1036868252 /nfs/dbraw/zinc/86/82/52/1036868252.db2.gz VLKIMEDOBMHPED-KUHUBIRLSA-N 1 0 325.412 4.490 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000599068830 1036868778 /nfs/dbraw/zinc/86/87/78/1036868778.db2.gz PWOJKVITTIFWJU-LIRRHRJNSA-N 1 0 325.412 4.490 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2cc(F)ccc2O1 ZINC000593674577 1036874417 /nfs/dbraw/zinc/87/44/17/1036874417.db2.gz YSBFJOIBEONXAD-MRXNPFEDSA-N 1 0 330.359 4.126 20 5 EIBDRO COc1ccc([C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)cn1 ZINC000599094823 1036877319 /nfs/dbraw/zinc/87/73/19/1036877319.db2.gz YXWDCGHMCJNDGT-BFUOFWGJSA-N 1 0 341.411 4.109 20 5 EIBDRO COc1cc(C[N@H+](C)[C@@H](C)C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000603553586 1036882831 /nfs/dbraw/zinc/88/28/31/1036882831.db2.gz DNSALSMXEBDDHB-JTQLQIEISA-N 1 0 346.374 4.071 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1CCC(F)(F)CC1 ZINC000503073401 1036893689 /nfs/dbraw/zinc/89/36/89/1036893689.db2.gz LKEOTVJDXNQIOW-ZDUSSCGKSA-N 1 0 326.387 4.331 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000183699714 1037015698 /nfs/dbraw/zinc/01/56/98/1037015698.db2.gz UYQFGTREPNITGR-UHFFFAOYSA-N 1 0 346.349 4.062 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(F)c(F)c2)cc(C(F)(F)F)c1 ZINC000487180578 1037037983 /nfs/dbraw/zinc/03/79/83/1037037983.db2.gz IPPFESKTZYQSPL-UHFFFAOYSA-N 1 0 346.255 4.182 20 5 EIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000603840449 1037057071 /nfs/dbraw/zinc/05/70/71/1037057071.db2.gz DZKIBMJDEIMIBA-INIZCTEOSA-N 1 0 346.814 4.464 20 5 EIBDRO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000603867236 1037064022 /nfs/dbraw/zinc/06/40/22/1037064022.db2.gz GGDSYUHLEJKHSJ-UHFFFAOYSA-N 1 0 334.803 4.149 20 5 EIBDRO C[NH+](C)[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000603871809 1037067488 /nfs/dbraw/zinc/06/74/88/1037067488.db2.gz VJKHHRNKCJCPHP-MRXNPFEDSA-N 1 0 337.782 4.102 20 5 EIBDRO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc(C)ccc1C ZINC000599645596 1037109135 /nfs/dbraw/zinc/10/91/35/1037109135.db2.gz QHMFSUQVWUWGBS-MRXNPFEDSA-N 1 0 338.411 4.329 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590599987 1037114514 /nfs/dbraw/zinc/11/45/14/1037114514.db2.gz INPBYQXFNFVGBK-JKSUJKDBSA-N 1 0 325.412 4.239 20 5 EIBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000604013533 1037147328 /nfs/dbraw/zinc/14/73/28/1037147328.db2.gz OCMWYXLKIZUHRT-IBGZPJMESA-N 1 0 344.386 4.340 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000604013358 1037150396 /nfs/dbraw/zinc/15/03/96/1037150396.db2.gz CIGXHSLOVGDNJV-SFHVURJKSA-N 1 0 326.396 4.249 20 5 EIBDRO C[C@H]1CSCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000488397695 1037566404 /nfs/dbraw/zinc/56/64/04/1037566404.db2.gz NXYWIGDRBSAZLF-CYBMUJFWSA-N 1 0 332.425 4.040 20 5 EIBDRO COc1cc(C[NH2+][C@@]2(c3ccc(Cl)cc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000503407027 1037743666 /nfs/dbraw/zinc/74/36/66/1037743666.db2.gz MVSXHOXZLWZRRN-XIKOKIGWSA-N 1 0 346.814 4.282 20 5 EIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCC(C)(C)C ZINC000592145604 1037748323 /nfs/dbraw/zinc/74/83/23/1037748323.db2.gz ZKXWNMDCSXEWNB-GFCCVEGCSA-N 1 0 332.404 4.074 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)CC(F)F ZINC000592392500 1037784854 /nfs/dbraw/zinc/78/48/54/1037784854.db2.gz YBVJEIPUASGPKU-VXGBXAGGSA-N 1 0 332.416 4.346 20 5 EIBDRO CC[NH2+]Cc1ccccc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000422735522 1037810998 /nfs/dbraw/zinc/81/09/98/1037810998.db2.gz FBMNXELKQXPDFR-UHFFFAOYSA-N 1 0 341.411 4.080 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000029148854 1038226585 /nfs/dbraw/zinc/22/65/85/1038226585.db2.gz GWXZHQRLRRNMSW-SFHVURJKSA-N 1 0 332.375 4.229 20 5 EIBDRO COc1cc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000490015849 1038316413 /nfs/dbraw/zinc/31/64/13/1038316413.db2.gz WOTKDWNQXYOJMW-GOSISDBHSA-N 1 0 338.407 4.255 20 5 EIBDRO COc1ccc(CCC[N@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000490312297 1038493934 /nfs/dbraw/zinc/49/39/34/1038493934.db2.gz BDXQQCLWUMRHEL-HNNXBMFYSA-N 1 0 328.412 4.229 20 5 EIBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000059394160 1038494485 /nfs/dbraw/zinc/49/44/85/1038494485.db2.gz WBPRQFBZARVFDD-INIZCTEOSA-N 1 0 337.782 4.102 20 5 EIBDRO CC(C)c1ccc(C[NH2+]CCc2noc3ccccc32)cc1[N+](=O)[O-] ZINC000594954351 1038540574 /nfs/dbraw/zinc/54/05/74/1038540574.db2.gz KQWNIJOJSHTIMA-UHFFFAOYSA-N 1 0 339.395 4.192 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000480768144 1038793968 /nfs/dbraw/zinc/79/39/68/1038793968.db2.gz VEQYDKXVAKGALT-JGGQBBKZSA-N 1 0 346.452 4.277 20 5 EIBDRO COc1cccc(C[C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000539078171 1038824788 /nfs/dbraw/zinc/82/47/88/1038824788.db2.gz NCESWTJMNHLBBT-GJZGRUSLSA-N 1 0 328.412 4.194 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)Oc2ccccc2)cc1[N+](=O)[O-] ZINC000539082692 1038828919 /nfs/dbraw/zinc/82/89/19/1038828919.db2.gz CQTTUSCPFWTFAF-CABCVRRESA-N 1 0 344.411 4.112 20 5 EIBDRO CC(C)(C)Oc1cc(NC2CC([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000480839462 1038837704 /nfs/dbraw/zinc/83/77/04/1038837704.db2.gz BOYJMKIQSPOOKV-UHFFFAOYSA-N 1 0 347.459 4.201 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C[C@@H]1CCCO1 ZINC000504894650 1038840637 /nfs/dbraw/zinc/84/06/37/1038840637.db2.gz NODKLVHXVRQDNE-KFWWJZLASA-N 1 0 338.473 4.013 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000504906070 1038846190 /nfs/dbraw/zinc/84/61/90/1038846190.db2.gz SJKLLMHLUVGTEO-ZDUSSCGKSA-N 1 0 332.375 4.026 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CCc2ccco2)cc1[N+](=O)[O-] ZINC000504911365 1038847284 /nfs/dbraw/zinc/84/72/84/1038847284.db2.gz FEWWPLOHCOIMBK-ZIAGYGMSSA-N 1 0 332.400 4.258 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1ccncc1 ZINC000504912042 1038849244 /nfs/dbraw/zinc/84/92/44/1038849244.db2.gz PDKLMHVFVQFFMP-HOCLYGCPSA-N 1 0 345.468 4.081 20 5 EIBDRO Cc1ccc(C(=O)CCN(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000480895388 1038865610 /nfs/dbraw/zinc/86/56/10/1038865610.db2.gz HXHHEKBCDWESJR-UHFFFAOYSA-N 1 0 338.407 4.141 20 5 EIBDRO CC(C)Oc1cccc([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])c1 ZINC000539226375 1038892648 /nfs/dbraw/zinc/89/26/48/1038892648.db2.gz NBOCRDAAZVBQGT-OAHLLOKOSA-N 1 0 344.411 4.112 20 5 EIBDRO Cc1ccc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)o1 ZINC000608836465 1038922395 /nfs/dbraw/zinc/92/23/95/1038922395.db2.gz ZKSKPXSNXCKGOT-UHFFFAOYSA-N 1 0 326.352 4.089 20 5 EIBDRO CCCCOCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000608837201 1038924863 /nfs/dbraw/zinc/92/48/63/1038924863.db2.gz ZLZFWFDFZVTYAC-UHFFFAOYSA-N 1 0 334.441 4.230 20 5 EIBDRO CO[C@@H](C)CC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000555190539 1038936830 /nfs/dbraw/zinc/93/68/30/1038936830.db2.gz KRLYZPNSGDNYPF-ZDUSSCGKSA-N 1 0 348.374 4.041 20 5 EIBDRO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@@H]1CCCOC1 ZINC000119753979 1038999231 /nfs/dbraw/zinc/99/92/31/1038999231.db2.gz XINBKQBFZWPFAA-AWEZNQCLSA-N 1 0 346.452 4.182 20 5 EIBDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000481172580 1039090605 /nfs/dbraw/zinc/09/06/05/1039090605.db2.gz ITNDVJWUGHXNTI-CXAGYDPISA-N 1 0 329.400 4.308 20 5 EIBDRO Cc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000505282599 1039188949 /nfs/dbraw/zinc/18/89/49/1039188949.db2.gz BQDOWFOFVPHSRU-GOSISDBHSA-N 1 0 325.412 4.416 20 5 EIBDRO COC[C@@H](C)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000481425548 1039396945 /nfs/dbraw/zinc/39/69/45/1039396945.db2.gz PFWJHELEJMEBPV-STQMWFEESA-N 1 0 334.441 4.256 20 5 EIBDRO COc1ccc(C[NH2+]Cc2ccc(C(C)(F)F)cc2)cc1[N+](=O)[O-] ZINC000555590619 1039399376 /nfs/dbraw/zinc/39/93/76/1039399376.db2.gz KOKZBROBSMWQLU-UHFFFAOYSA-N 1 0 336.338 4.005 20 5 EIBDRO CC(C)[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000514086722 1039584978 /nfs/dbraw/zinc/58/49/78/1039584978.db2.gz CLLCHXSRDCHREY-UHFFFAOYSA-N 1 0 332.375 4.023 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H](c2cccnc2)C2CCC2)cc1 ZINC000481657304 1039698595 /nfs/dbraw/zinc/69/85/95/1039698595.db2.gz HASVWGJJKSJITQ-HXUWFJFHSA-N 1 0 339.439 4.444 20 5 EIBDRO CCC[C@@H]([NH2+][C@H](COC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000089667757 1039726237 /nfs/dbraw/zinc/72/62/37/1039726237.db2.gz NBQVWBJTGXFTCT-RTBURBONSA-N 1 0 328.412 4.413 20 5 EIBDRO Cc1c(CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478484590 1039794778 /nfs/dbraw/zinc/79/47/78/1039794778.db2.gz BWISLWPTUZINNJ-BEFAXECRSA-N 1 0 345.487 4.036 20 5 EIBDRO CC(C)c1ccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000537649239 1039819161 /nfs/dbraw/zinc/81/91/61/1039819161.db2.gz VGLXYVBEQUSEDW-SFHVURJKSA-N 1 0 345.487 4.026 20 5 EIBDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000434986536 1039983922 /nfs/dbraw/zinc/98/39/22/1039983922.db2.gz OYWYOUFSBONCED-SFHVURJKSA-N 1 0 326.396 4.249 20 5 EIBDRO CO[C@H](C)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482095675 1040010111 /nfs/dbraw/zinc/01/01/11/1040010111.db2.gz DGNQHAAFWYLIRG-OLZOCXBDSA-N 1 0 334.441 4.399 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCCO1 ZINC000535201396 1040045460 /nfs/dbraw/zinc/04/54/60/1040045460.db2.gz KJQJERCDHZOTJX-RDJZCZTQSA-N 1 0 346.452 4.371 20 5 EIBDRO COCC1(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000551246115 1040093868 /nfs/dbraw/zinc/09/38/68/1040093868.db2.gz KBRZNRSQJZHSAE-SJLPKXTDSA-N 1 0 346.471 4.102 20 5 EIBDRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000482314542 1040168424 /nfs/dbraw/zinc/16/84/24/1040168424.db2.gz KAZUFHRIVPBCSY-FRQCXROJSA-N 1 0 339.439 4.081 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC(CC(F)F)C3)s2)cc1 ZINC000425368113 1040352272 /nfs/dbraw/zinc/35/22/72/1040352272.db2.gz VULXDCSHPIWVRO-UHFFFAOYSA-N 1 0 338.379 4.410 20 5 EIBDRO Cc1cccc(CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000479463407 1040373813 /nfs/dbraw/zinc/37/38/13/1040373813.db2.gz KMYFFYHFDFNVQX-OAQYLSRUSA-N 1 0 347.418 4.220 20 5 EIBDRO C/C(=C/c1ccccc1)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000515010510 1040428847 /nfs/dbraw/zinc/42/88/47/1040428847.db2.gz QZSUHGKXOXQIGE-PTNGSMBKSA-N 1 0 335.407 4.312 20 5 EIBDRO CCOc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000152792908 1040446152 /nfs/dbraw/zinc/44/61/52/1040446152.db2.gz CGAKHLLTRDZIHB-ZDUSSCGKSA-N 1 0 332.375 4.292 20 5 EIBDRO CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@H](C)C1 ZINC000443063646 1040508323 /nfs/dbraw/zinc/50/83/23/1040508323.db2.gz DLCYPOCNFNAOAV-CZUORRHYSA-N 1 0 346.452 4.323 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)C1CC1 ZINC000482892530 1040537913 /nfs/dbraw/zinc/53/79/13/1040537913.db2.gz PWROYWNSGBANGT-AZUAARDMSA-N 1 0 336.435 4.236 20 5 EIBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)N(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000482892490 1040554905 /nfs/dbraw/zinc/55/49/05/1040554905.db2.gz PSFVWDLSKPOYJT-WBVHZDCISA-N 1 0 341.455 4.074 20 5 EIBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000160523939 1040578868 /nfs/dbraw/zinc/57/88/68/1040578868.db2.gz XFCDBDDSOZGCKE-CQSZACIVSA-N 1 0 346.452 4.371 20 5 EIBDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482949536 1040592910 /nfs/dbraw/zinc/59/29/10/1040592910.db2.gz WIQQJWDBCRAFSD-QWHCGFSZSA-N 1 0 334.441 4.135 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H]4CCC[C@@H]43)co2)cc1 ZINC000089905729 1040593358 /nfs/dbraw/zinc/59/33/58/1040593358.db2.gz SHHYSXSLWGOPJG-DYVFJYSZSA-N 1 0 327.384 4.014 20 5 EIBDRO Cc1cc(C[NH+](C)C)cc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000539648714 1040641054 /nfs/dbraw/zinc/64/10/54/1040641054.db2.gz WFCVZKACSPCBOV-HNNXBMFYSA-N 1 0 327.428 4.446 20 5 EIBDRO Cc1csc(CCCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000160676895 1040661886 /nfs/dbraw/zinc/66/18/86/1040661886.db2.gz RECHUWKEFNYWMP-CQSZACIVSA-N 1 0 333.457 4.342 20 5 EIBDRO CC(C)([NH2+]Cc1cccc(OC2CC2)c1F)c1ccc([N+](=O)[O-])cc1 ZINC000594940608 1040674497 /nfs/dbraw/zinc/67/44/97/1040674497.db2.gz PCLKLOXWYKVUHM-UHFFFAOYSA-N 1 0 344.386 4.300 20 5 EIBDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000539678854 1040698820 /nfs/dbraw/zinc/69/88/20/1040698820.db2.gz AOWAJNASVOUTFA-KBAYOESNSA-N 1 0 334.460 4.099 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000483131965 1040726500 /nfs/dbraw/zinc/72/65/00/1040726500.db2.gz DAANNDACFJSKOH-IAGOWNOFSA-N 1 0 339.439 4.223 20 5 EIBDRO CC[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000160837348 1040801545 /nfs/dbraw/zinc/80/15/45/1040801545.db2.gz XTZABURPPSFCNF-OALUTQOASA-N 1 0 328.412 4.149 20 5 EIBDRO Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000483434569 1040858591 /nfs/dbraw/zinc/85/85/91/1040858591.db2.gz DRSGAPUCVSIPGH-CQSZACIVSA-N 1 0 330.350 4.314 20 5 EIBDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000537869263 1040863221 /nfs/dbraw/zinc/86/32/21/1040863221.db2.gz MMMWIXMUWGPLBY-KUHUBIRLSA-N 1 0 344.411 4.148 20 5 EIBDRO C[C@@H]([NH2+]CCOCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537939113 1040902163 /nfs/dbraw/zinc/90/21/63/1040902163.db2.gz DBVFZMYFCZZFPI-CYBMUJFWSA-N 1 0 334.803 4.116 20 5 EIBDRO COc1cccc(O[C@H](C)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000483616233 1040914670 /nfs/dbraw/zinc/91/46/70/1040914670.db2.gz AXHVPOHRYDVGKH-HUUCEWRRSA-N 1 0 344.411 4.030 20 5 EIBDRO CC[C@@H]([NH2+]C[C@H](C)Oc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000483623499 1040915962 /nfs/dbraw/zinc/91/59/62/1040915962.db2.gz LUPJYRDKGCMZJE-SUMWQHHRSA-N 1 0 332.375 4.242 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)Cc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000537979656 1040950033 /nfs/dbraw/zinc/95/00/33/1040950033.db2.gz PDQIVSAVYYVTHV-KUHUBIRLSA-N 1 0 328.412 4.275 20 5 EIBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cn1 ZINC000480160965 1041017926 /nfs/dbraw/zinc/01/79/26/1041017926.db2.gz DZVPJBFZRNWOFG-CYBMUJFWSA-N 1 0 333.819 4.317 20 5 EIBDRO COCC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000554373882 1041059563 /nfs/dbraw/zinc/05/95/63/1041059563.db2.gz MZAOSFZBVCZVQG-SJLPKXTDSA-N 1 0 348.487 4.348 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]C2CC(C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000554390234 1041069883 /nfs/dbraw/zinc/06/98/83/1041069883.db2.gz HETBPMLVJNHLCU-RPFQZYLTSA-N 1 0 328.334 4.248 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]Cc2c[nH]nc2-c2ccsc2)cc1[N+](=O)[O-] ZINC000436307693 1041077526 /nfs/dbraw/zinc/07/75/26/1041077526.db2.gz LENOUXYWNAFFRB-LBPRGKRZSA-N 1 0 342.424 4.206 20 5 EIBDRO CO[C@@](C)(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000462913219 1041093675 /nfs/dbraw/zinc/09/36/75/1041093675.db2.gz MDTSPEARMKNYLK-SFHVURJKSA-N 1 0 346.452 4.228 20 5 EIBDRO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000540118222 1041141003 /nfs/dbraw/zinc/14/10/03/1041141003.db2.gz QKEDKQXOVPQKCG-RDTXWAMCSA-N 1 0 346.402 4.032 20 5 EIBDRO CCC[C@@H]([NH2+][C@@H](CO)c1ccc(CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000540147122 1041172421 /nfs/dbraw/zinc/17/24/21/1041172421.db2.gz PFHBXDQVOZKUGP-UXHICEINSA-N 1 0 342.439 4.322 20 5 EIBDRO CCC[C@H]([NH2+][C@@H]1COc2ccc(C)cc21)c1cccc([N+](=O)[O-])c1 ZINC000540158508 1041187503 /nfs/dbraw/zinc/18/75/03/1041187503.db2.gz MHIPAKKNJIIAMJ-ZWKOTPCHSA-N 1 0 326.396 4.468 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540152372 1041202340 /nfs/dbraw/zinc/20/23/40/1041202340.db2.gz ZPOPYTQUEMSOHH-RYGJVYDSSA-N 1 0 342.439 4.018 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000540163747 1041226750 /nfs/dbraw/zinc/22/67/50/1041226750.db2.gz JJDWDUBJYNKNFJ-VBHSOAQHSA-N 1 0 332.375 4.161 20 5 EIBDRO COC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccc(F)cc1 ZINC000540185411 1041253261 /nfs/dbraw/zinc/25/32/61/1041253261.db2.gz MFCBZLASRDQRIG-FZKQIMNGSA-N 1 0 332.375 4.081 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000538408179 1041325692 /nfs/dbraw/zinc/32/56/92/1041325692.db2.gz BSJQVAQWHJXTJS-LPMFXHHGSA-N 1 0 346.402 4.469 20 5 EIBDRO C[C@@H](CCOCc1ccccc1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000554722038 1041364360 /nfs/dbraw/zinc/36/43/60/1041364360.db2.gz UQZIPLQNDOATCT-ZBZNSMLMSA-N 1 0 340.423 4.193 20 5 EIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)cn1 ZINC000554743079 1041375217 /nfs/dbraw/zinc/37/52/17/1041375217.db2.gz XDGPVSNCXYTTTR-LLVKDONJSA-N 1 0 344.802 4.018 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(CC)s2)cc1[N+](=O)[O-] ZINC000152921739 1041443194 /nfs/dbraw/zinc/44/31/94/1041443194.db2.gz FFTJQCLUEVXCEL-GFCCVEGCSA-N 1 0 334.441 4.468 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCCc2c(Cl)ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000924797789 1041445908 /nfs/dbraw/zinc/44/59/08/1041445908.db2.gz IBQAIPPCXILXET-MEDUHNTESA-N 1 0 331.803 4.371 20 5 EIBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 ZINC000516198726 1041450950 /nfs/dbraw/zinc/45/09/50/1041450950.db2.gz ZUVLXDDIAVGXHD-ZDUSSCGKSA-N 1 0 332.375 4.326 20 5 EIBDRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595297326 1041459329 /nfs/dbraw/zinc/45/93/29/1041459329.db2.gz RHWFDLMKOCGLGP-HOTGVXAUSA-N 1 0 329.400 4.049 20 5 EIBDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2OC(C)C)ccc1[N+](=O)[O-] ZINC000538712264 1041484609 /nfs/dbraw/zinc/48/46/09/1041484609.db2.gz ARRBOMPVHSLMQA-AWEZNQCLSA-N 1 0 344.411 4.241 20 5 EIBDRO CCCO[C@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470176546 1041547112 /nfs/dbraw/zinc/54/71/12/1041547112.db2.gz XIYHTRCSIJPBNL-AGWAZZAUSA-N 1 0 332.444 4.279 20 5 EIBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H](C)c1cccc(OC)c1 ZINC000516616629 1041675851 /nfs/dbraw/zinc/67/58/51/1041675851.db2.gz VNOLRRKQKYJVAW-OAHLLOKOSA-N 1 0 328.412 4.495 20 5 EIBDRO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000467358434 1041820366 /nfs/dbraw/zinc/82/03/66/1041820366.db2.gz NXUJXNIRTPLILQ-WMZOPIPTSA-N 1 0 339.439 4.423 20 5 EIBDRO CC[C@H](C)[C@H](C)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000517134406 1041879382 /nfs/dbraw/zinc/87/93/82/1041879382.db2.gz AFOSLQCBALXFQG-STQMWFEESA-N 1 0 344.415 4.044 20 5 EIBDRO CC[C@H](C)[C@@H](C)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000517134405 1041879628 /nfs/dbraw/zinc/87/96/28/1041879628.db2.gz AFOSLQCBALXFQG-QWHCGFSZSA-N 1 0 344.415 4.044 20 5 EIBDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000541376158 1041917252 /nfs/dbraw/zinc/91/72/52/1041917252.db2.gz NWVNPWSIOCHZJG-CABCVRRESA-N 1 0 344.411 4.150 20 5 EIBDRO C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000541376160 1041917352 /nfs/dbraw/zinc/91/73/52/1041917352.db2.gz NWVNPWSIOCHZJG-GJZGRUSLSA-N 1 0 344.411 4.150 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCCCS2)o1 ZINC000541379920 1041919514 /nfs/dbraw/zinc/91/95/14/1041919514.db2.gz CTXXSTHMCDWOGB-AWEZNQCLSA-N 1 0 332.425 4.230 20 5 EIBDRO COc1cc(C[NH2+][C@]2(C)CCCc3ccccc32)c([N+](=O)[O-])cc1F ZINC000464498730 1042040914 /nfs/dbraw/zinc/04/09/14/1042040914.db2.gz QFGOGTWXRBCDBZ-LJQANCHMSA-N 1 0 344.386 4.084 20 5 EIBDRO COc1ccc2c(c1)CCC[N@H+]([C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000609133849 1042058192 /nfs/dbraw/zinc/05/81/92/1042058192.db2.gz BWQJQFZYNQJRFU-AWEZNQCLSA-N 1 0 326.396 4.113 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3cccc(F)c3)o2)cc1 ZINC000517541086 1042065505 /nfs/dbraw/zinc/06/55/05/1042065505.db2.gz QQYINRVKLFWZRM-UHFFFAOYSA-N 1 0 340.354 4.326 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000541756568 1042094301 /nfs/dbraw/zinc/09/43/01/1042094301.db2.gz OXXMNQWXGHSBCE-TZMCWYRMSA-N 1 0 330.350 4.362 20 5 EIBDRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000464729075 1042142473 /nfs/dbraw/zinc/14/24/73/1042142473.db2.gz ZGUSGFVDSNJEPY-AUUYWEPGSA-N 1 0 328.387 4.360 20 5 EIBDRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000464729243 1042143849 /nfs/dbraw/zinc/14/38/49/1042143849.db2.gz DDMQSTAPTZYJBE-KDOFPFPSSA-N 1 0 344.386 4.196 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)cs1 ZINC000425988343 1042151778 /nfs/dbraw/zinc/15/17/78/1042151778.db2.gz FSUDIOSMNUXTIV-UHFFFAOYSA-N 1 0 334.363 4.401 20 5 EIBDRO C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000153050965 1042233824 /nfs/dbraw/zinc/23/38/24/1042233824.db2.gz XEFCTPMFMPHALQ-CHWSQXEVSA-N 1 0 332.425 4.153 20 5 EIBDRO CSC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549718060 1042244167 /nfs/dbraw/zinc/24/41/67/1042244167.db2.gz SZIHPTKQAXDMHT-LLVKDONJSA-N 1 0 348.390 4.189 20 5 EIBDRO CCCCCn1cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c(C)n1 ZINC000517959449 1042292438 /nfs/dbraw/zinc/29/24/38/1042292438.db2.gz CFSSTLIKLQCFPN-SFHVURJKSA-N 1 0 342.443 4.067 20 5 EIBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000509554944 1042364628 /nfs/dbraw/zinc/36/46/28/1042364628.db2.gz HYRFGWYQTAKLEN-VSGCLNPGSA-N 1 0 326.396 4.397 20 5 EIBDRO C[C@@H](C[C@H]1CCCO1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000518279429 1042451248 /nfs/dbraw/zinc/45/12/48/1042451248.db2.gz VGWPQNMAWUUAAB-XJKSGUPXSA-N 1 0 346.452 4.371 20 5 EIBDRO CCC1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000426287471 1042514974 /nfs/dbraw/zinc/51/49/74/1042514974.db2.gz ZHIMGLZFXMCKJH-QGZVFWFLSA-N 1 0 332.444 4.114 20 5 EIBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000518472987 1042538993 /nfs/dbraw/zinc/53/89/93/1042538993.db2.gz DNPUMXFNTZBCOY-AWEZNQCLSA-N 1 0 332.375 4.196 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000426342706 1042575990 /nfs/dbraw/zinc/57/59/90/1042575990.db2.gz NFWUPJIKJCCULD-ZJNRKIDTSA-N 1 0 346.452 4.318 20 5 EIBDRO CCc1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000518606330 1042592042 /nfs/dbraw/zinc/59/20/42/1042592042.db2.gz KKGUZWKTQVAFIR-UHFFFAOYSA-N 1 0 329.425 4.032 20 5 EIBDRO CCOc1cc(C[NH2+][C@@]2(C)CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000492415029 1042638689 /nfs/dbraw/zinc/63/86/89/1042638689.db2.gz FCYDLWGYBYVNGC-FQEVSTJZSA-N 1 0 340.423 4.335 20 5 EIBDRO CCC(CC)(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)OC ZINC000492487158 1042675023 /nfs/dbraw/zinc/67/50/23/1042675023.db2.gz REETUXXDDAJGGW-UHFFFAOYSA-N 1 0 332.400 4.150 20 5 EIBDRO CCOc1cc(CN(C)[C@@H](C)c2sc(C)nc2C)ccc1[N+](=O)[O-] ZINC000492626976 1042713089 /nfs/dbraw/zinc/71/30/89/1042713089.db2.gz BXBXNEOFJDAWDH-LBPRGKRZSA-N 1 0 349.456 4.260 20 5 EIBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)Cc1ccsc1 ZINC000426478699 1042755968 /nfs/dbraw/zinc/75/59/68/1042755968.db2.gz FEBQFQDVTDYCIE-CYBMUJFWSA-N 1 0 334.441 4.118 20 5 EIBDRO CCOc1cc(C[NH2+][C@@H](C)c2c(C)cccc2C)ccc1[N+](=O)[O-] ZINC000492842820 1042761093 /nfs/dbraw/zinc/76/10/93/1042761093.db2.gz AKFPAUQDFUYJKW-HNNXBMFYSA-N 1 0 328.412 4.461 20 5 EIBDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761512406 1042873759 /nfs/dbraw/zinc/87/37/59/1042873759.db2.gz SVERNGPGJCMVSV-GFCCVEGCSA-N 1 0 334.803 4.017 20 5 EIBDRO Cc1[nH+]c2cc(NCc3ccc([N+](=O)[O-])c(Cl)c3)ccc2n1C ZINC000761534064 1042877170 /nfs/dbraw/zinc/87/71/70/1042877170.db2.gz ZHCFTMCEXMRGHZ-UHFFFAOYSA-N 1 0 330.775 4.055 20 5 EIBDRO CCOC[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000473997087 1042918874 /nfs/dbraw/zinc/91/88/74/1042918874.db2.gz STAWCNUQKJFKGK-KRWDZBQOSA-N 1 0 332.400 4.006 20 5 EIBDRO CCOc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000152792784 1042977415 /nfs/dbraw/zinc/97/74/15/1042977415.db2.gz WESFAUGPXDYADR-CYBMUJFWSA-N 1 0 332.375 4.292 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)o2)cc1 ZINC000520660355 1042984215 /nfs/dbraw/zinc/98/42/15/1042984215.db2.gz PLARIRHCOJIKIL-HLAWJBBLSA-N 1 0 346.386 4.283 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2cccc(-c3ccccn3)c2)cc1[N+](=O)[O-] ZINC000130259256 1043003713 /nfs/dbraw/zinc/00/37/13/1043003713.db2.gz JBNNEDHIXJOITO-UHFFFAOYSA-N 1 0 333.391 4.255 20 5 EIBDRO CCCc1csc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000494151838 1043023022 /nfs/dbraw/zinc/02/30/22/1043023022.db2.gz FSTBCPOFMDHOSW-UHFFFAOYSA-N 1 0 333.457 4.116 20 5 EIBDRO CCCC[C@@H](C)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000554959978 1043167968 /nfs/dbraw/zinc/16/79/68/1043167968.db2.gz FFYXWNFDZQHBCW-CQSZACIVSA-N 1 0 331.416 4.303 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](c2cccnc2)C(C)C)cc1[N+](=O)[O-] ZINC000164148075 1043302524 /nfs/dbraw/zinc/30/25/24/1043302524.db2.gz OLSIWTXNWYJNAF-YJBOKZPZSA-N 1 0 327.428 4.389 20 5 EIBDRO C[C@@H]1CC(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000338789929 1043323944 /nfs/dbraw/zinc/32/39/44/1043323944.db2.gz VRZMTIMMDNJYAE-LPMFXHHGSA-N 1 0 332.444 4.156 20 5 EIBDRO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301769484 1043347807 /nfs/dbraw/zinc/34/78/07/1043347807.db2.gz INTCUQBYEXMJKZ-BBRMVZONSA-N 1 0 349.862 4.010 20 5 EIBDRO Cc1nc2ccc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)cc2s1 ZINC000494305950 1043415493 /nfs/dbraw/zinc/41/54/93/1043415493.db2.gz CBJKIEHICCNZBK-LLVKDONJSA-N 1 0 327.409 4.364 20 5 EIBDRO C[C@@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)c1cccc([N+](=O)[O-])c1 ZINC000078005852 1043447274 /nfs/dbraw/zinc/44/72/74/1043447274.db2.gz MUYGOLFACYWBJD-CYBMUJFWSA-N 1 0 326.396 4.159 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000255502084 1043530659 /nfs/dbraw/zinc/53/06/59/1043530659.db2.gz ZWKLKFRHIBEHNV-HYXAFXHYSA-N 1 0 328.334 4.272 20 5 EIBDRO CC(C)(C)OC1CC([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000494511830 1043561115 /nfs/dbraw/zinc/56/11/15/1043561115.db2.gz QNEFZCRBOWPQSF-UHFFFAOYSA-N 1 0 346.349 4.049 20 5 EIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4CCC[C@@H]4C3)CC2)cc1 ZINC000766190969 1043697493 /nfs/dbraw/zinc/69/74/93/1043697493.db2.gz JNNYPBCQFKDZRY-LZLYRXPVSA-N 1 0 343.471 4.122 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)cc1[N+](=O)[O-] ZINC000442878733 1043879630 /nfs/dbraw/zinc/87/96/30/1043879630.db2.gz UOXCROHUZPSFTJ-DZGCQCFKSA-N 1 0 335.407 4.203 20 5 EIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000732212947 1043886328 /nfs/dbraw/zinc/88/63/28/1043886328.db2.gz VKYWDZOOGBICPI-CYBMUJFWSA-N 1 0 334.778 4.377 20 5 EIBDRO C[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173304458 1043889636 /nfs/dbraw/zinc/88/96/36/1043889636.db2.gz QJSUSTJRRAKPFE-OXJNMPFZSA-N 1 0 339.439 4.083 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000245537284 1043970968 /nfs/dbraw/zinc/97/09/68/1043970968.db2.gz ITOREVAAXJIANJ-YTQUADARSA-N 1 0 339.439 4.442 20 5 EIBDRO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000245531635 1043971061 /nfs/dbraw/zinc/97/10/61/1043971061.db2.gz TZTUQCMZKUJFAI-KSSFIOAISA-N 1 0 342.443 4.152 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(Cl)cc2Cl)cc1 ZINC000040675866 1043997098 /nfs/dbraw/zinc/99/70/98/1043997098.db2.gz ZBMCJJQGNNLXIY-UHFFFAOYSA-N 1 0 325.195 4.234 20 5 EIBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000521837063 1044026940 /nfs/dbraw/zinc/02/69/40/1044026940.db2.gz YDVMRXXLCTUAKC-UONOGXRCSA-N 1 0 348.390 4.377 20 5 EIBDRO CCC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000766191377 1044393342 /nfs/dbraw/zinc/39/33/42/1044393342.db2.gz DSUXDPBVJKYYJH-KRWDZBQOSA-N 1 0 343.383 4.177 20 5 EIBDRO Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000301970628 1044528545 /nfs/dbraw/zinc/52/85/45/1044528545.db2.gz DVXYYXGKLROEEG-FUHWJXTLSA-N 1 0 347.365 4.039 20 5 EIBDRO CC(C)c1ccc(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000466465620 1044553449 /nfs/dbraw/zinc/55/34/49/1044553449.db2.gz NNLWXPAOXMYRDH-OALUTQOASA-N 1 0 332.444 4.013 20 5 EIBDRO O=[N+]([O-])c1cccc(CC[NH2+]CC2CCC(C(F)(F)F)CC2)c1 ZINC000466469703 1044568595 /nfs/dbraw/zinc/56/85/95/1044568595.db2.gz AVXXMNFUYAUZMN-UHFFFAOYSA-N 1 0 330.350 4.096 20 5 EIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](C)C1CCCCC1 ZINC000543460913 1044651963 /nfs/dbraw/zinc/65/19/63/1044651963.db2.gz UGUVDYGIUHUHRR-UONOGXRCSA-N 1 0 348.443 4.156 20 5 EIBDRO CC1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC(F)(F)C1 ZINC000895533516 1044800376 /nfs/dbraw/zinc/80/03/76/1044800376.db2.gz YGCLJRAFHXRCCO-UHFFFAOYSA-N 1 0 338.276 4.139 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC1C[C@@H](C)O[C@H](C)C1 ZINC000555226459 1044830854 /nfs/dbraw/zinc/83/08/54/1044830854.db2.gz WBEVLIUGSWDTQT-BZUAXINKSA-N 1 0 334.460 4.099 20 5 EIBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCc2ccccc2C1 ZINC000735493241 1044831834 /nfs/dbraw/zinc/83/18/34/1044831834.db2.gz NPFYWAZFRUDICN-MRXNPFEDSA-N 1 0 330.815 4.238 20 5 EIBDRO C[C@@H](N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000555226025 1044836185 /nfs/dbraw/zinc/83/61/85/1044836185.db2.gz OPBUFTQMRNSYKT-FZKQIMNGSA-N 1 0 347.846 4.202 20 5 EIBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000766154106 1044883427 /nfs/dbraw/zinc/88/34/27/1044883427.db2.gz IPMBIUXXCWPHNO-HNNXBMFYSA-N 1 0 331.460 4.122 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000922777419 1044943397 /nfs/dbraw/zinc/94/33/97/1044943397.db2.gz YNMSWNLLOLKMQC-BJHRGBFUSA-N 1 0 344.361 4.247 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000495368722 1044978954 /nfs/dbraw/zinc/97/89/54/1044978954.db2.gz JTLMAQHNKVWJED-GFCCVEGCSA-N 1 0 334.803 4.150 20 5 EIBDRO C[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCS1 ZINC000922835067 1044979335 /nfs/dbraw/zinc/97/93/35/1044979335.db2.gz CIEFUUHBEQQLQV-YPMHNXCESA-N 1 0 349.481 4.092 20 5 EIBDRO COc1cccc(C2([NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000272261219 1044981291 /nfs/dbraw/zinc/98/12/91/1044981291.db2.gz LTJOIJURLCOCOX-CQSZACIVSA-N 1 0 326.396 4.252 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]CCCc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000156167370 1045017442 /nfs/dbraw/zinc/01/74/42/1045017442.db2.gz IHMWJGMFIOXXSF-CQSZACIVSA-N 1 0 338.411 4.063 20 5 EIBDRO Cc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193349647 1045049394 /nfs/dbraw/zinc/04/93/94/1045049394.db2.gz LSVXVKVJANCREA-RBUKOAKNSA-N 1 0 338.407 4.394 20 5 EIBDRO Cc1c(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000392500111 1045049731 /nfs/dbraw/zinc/04/97/31/1045049731.db2.gz MFJPQHWBMVLHFG-UHFFFAOYSA-N 1 0 342.292 4.351 20 5 EIBDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000738312442 1045055615 /nfs/dbraw/zinc/05/56/15/1045055615.db2.gz OKNJWKLHEWEJSU-HUUCEWRRSA-N 1 0 328.387 4.420 20 5 EIBDRO C[C@@H]1C[C@H](Nc2sccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000302032189 1045156047 /nfs/dbraw/zinc/15/60/47/1045156047.db2.gz SMYYEOQBLLEENJ-UKRRQHHQSA-N 1 0 331.441 4.121 20 5 EIBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302050100 1045157911 /nfs/dbraw/zinc/15/79/11/1045157911.db2.gz NKPAGNJGCMKITL-CHWSQXEVSA-N 1 0 337.851 4.313 20 5 EIBDRO CCOc1cc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000302067151 1045159271 /nfs/dbraw/zinc/15/92/71/1045159271.db2.gz WODZTVBPCLTOBV-LSDHHAIUSA-N 1 0 347.459 4.058 20 5 EIBDRO Cc1cc(N2C[C@H](C)C[C@@H]2c2cccnc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302153634 1045163898 /nfs/dbraw/zinc/16/38/98/1045163898.db2.gz VDFLGJRLTNBEON-BFUOFWGJSA-N 1 0 348.406 4.434 20 5 EIBDRO CCc1ccc([C@@H](NC2CC(F)(F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000429462841 1045164447 /nfs/dbraw/zinc/16/44/47/1045164447.db2.gz DLWOWVIJRUBFTB-INIZCTEOSA-N 1 0 336.338 4.227 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000162285020 1045243163 /nfs/dbraw/zinc/24/31/63/1045243163.db2.gz ZKBLTGRCBRACSM-QWHCGFSZSA-N 1 0 332.375 4.463 20 5 EIBDRO CC[N@@H+](Cc1ccoc1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611267963 1045270736 /nfs/dbraw/zinc/27/07/36/1045270736.db2.gz YCACKEJLKZVPTA-UHFFFAOYSA-N 1 0 326.352 4.470 20 5 EIBDRO Cc1ccc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000611271995 1045271596 /nfs/dbraw/zinc/27/15/96/1045271596.db2.gz FJLGHOJMMYMVMZ-SFHVURJKSA-N 1 0 328.437 4.193 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000611268263 1045271923 /nfs/dbraw/zinc/27/19/23/1045271923.db2.gz DXBPAWNVBIKVBN-OJWOGGGRSA-N 1 0 338.407 4.072 20 5 EIBDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611293198 1045275763 /nfs/dbraw/zinc/27/57/63/1045275763.db2.gz ZERPKBHGCJULRV-CQSZACIVSA-N 1 0 337.379 4.409 20 5 EIBDRO C[C@H]([NH2+][C@@H](CO)CC1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000611337415 1045281225 /nfs/dbraw/zinc/28/12/25/1045281225.db2.gz BXVXGBQPWGPOLT-GXTWGEPZSA-N 1 0 346.452 4.135 20 5 EIBDRO CCC[C@H]([NH2+][C@H](CO)[C@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611335880 1045281456 /nfs/dbraw/zinc/28/14/56/1045281456.db2.gz KEFMPLHFZPSKNX-UIAACRFSSA-N 1 0 342.439 4.190 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](c1cnn(C)c1)C(C)(C)C ZINC000611409286 1045302763 /nfs/dbraw/zinc/30/27/63/1045302763.db2.gz IOLYYIQDHUPQFX-KDOFPFPSSA-N 1 0 344.459 4.026 20 5 EIBDRO Cc1ccccc1[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000611433895 1045305070 /nfs/dbraw/zinc/30/50/70/1045305070.db2.gz URLZCFJAHGGHRV-LJQANCHMSA-N 1 0 337.379 4.285 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCCCO1 ZINC000611471801 1045316279 /nfs/dbraw/zinc/31/62/79/1045316279.db2.gz NWNGHYAAIZVEMW-GUYCJALGSA-N 1 0 346.452 4.371 20 5 EIBDRO Cc1nc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c(C)s1 ZINC000611521528 1045319478 /nfs/dbraw/zinc/31/94/78/1045319478.db2.gz PEGSJMHAHHYQSV-VIFPVBQESA-N 1 0 339.848 4.215 20 5 EIBDRO CC(C)(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000301084104 1045402374 /nfs/dbraw/zinc/40/23/74/1045402374.db2.gz JAZUVHGPDIXJIE-UHFFFAOYSA-N 1 0 345.365 4.288 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3Cc4ccccc43)o2)cc1 ZINC000609222620 1045416134 /nfs/dbraw/zinc/41/61/34/1045416134.db2.gz UXGISSJPNAMGRJ-INIZCTEOSA-N 1 0 334.375 4.284 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000153334684 1045511634 /nfs/dbraw/zinc/51/16/34/1045511634.db2.gz SYIFSHJQNHPEDB-SJKOYZFVSA-N 1 0 344.386 4.471 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(Cl)c3cccnc23)cc1 ZINC000326115147 1045597600 /nfs/dbraw/zinc/59/76/00/1045597600.db2.gz DZJKISANXXZMDT-UHFFFAOYSA-N 1 0 341.798 4.129 20 5 EIBDRO Cc1c(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000790999648 1045650749 /nfs/dbraw/zinc/65/07/49/1045650749.db2.gz NLYQFIIBGCBNJB-UHFFFAOYSA-N 1 0 343.383 4.225 20 5 EIBDRO C[NH+](C)[C@@H](CNc1cc(Cl)ccc1[N+](=O)[O-])c1cccs1 ZINC000791409503 1045738232 /nfs/dbraw/zinc/73/82/32/1045738232.db2.gz NFHLWIUPAKXOCP-ZDUSSCGKSA-N 1 0 325.821 4.025 20 5 EIBDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000301116983 1045814774 /nfs/dbraw/zinc/81/47/74/1045814774.db2.gz URDZPBYOMMKASN-OAHLLOKOSA-N 1 0 342.443 4.067 20 5 EIBDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768541162 1045818128 /nfs/dbraw/zinc/81/81/28/1045818128.db2.gz FHRYVCOIQNYFET-UHFFFAOYSA-N 1 0 334.803 4.279 20 5 EIBDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000768548858 1045822266 /nfs/dbraw/zinc/82/22/66/1045822266.db2.gz ILAXJXXZGYKKJD-QWHCGFSZSA-N 1 0 328.865 4.354 20 5 EIBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000301121239 1045895582 /nfs/dbraw/zinc/89/55/82/1045895582.db2.gz XCXRGUSQDYNXQS-HNNXBMFYSA-N 1 0 342.443 4.210 20 5 EIBDRO C[N@H+](CCN1CCCC1=O)Cc1c2ccccc2cc2ccccc21 ZINC000769391101 1045947797 /nfs/dbraw/zinc/94/77/97/1045947797.db2.gz YEDCGFYXUFYYKZ-UHFFFAOYSA-N 1 0 332.447 4.047 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170294506 1045978970 /nfs/dbraw/zinc/97/89/70/1045978970.db2.gz AIFPAOCRLUILOG-STQMWFEESA-N 1 0 332.375 4.024 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2cccc(C)c2)c([N+](=O)[O-])c1 ZINC001170296669 1045982256 /nfs/dbraw/zinc/98/22/56/1045982256.db2.gz HLJLNEPQSQPQFH-LSDHHAIUSA-N 1 0 328.412 4.194 20 5 EIBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170327157 1045999731 /nfs/dbraw/zinc/99/97/31/1045999731.db2.gz FFELGILYTVCCJR-MAUKXSAKSA-N 1 0 340.423 4.024 20 5 EIBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCc3ccccc3[C@H]2C)c([N+](=O)[O-])c1 ZINC001170327244 1046000332 /nfs/dbraw/zinc/00/03/32/1046000332.db2.gz GILACEBAQFNVAX-HUUCEWRRSA-N 1 0 340.423 4.154 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]CC(C)(C)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC001170328080 1046004010 /nfs/dbraw/zinc/00/40/10/1046004010.db2.gz USRSVTDDUVMPIY-NSHDSACASA-N 1 0 348.365 4.103 20 5 EIBDRO COc1ccc(C[C@H](C)[N@H+](C)CCCc2ccccc2)c([N+](=O)[O-])c1 ZINC001170346541 1046021527 /nfs/dbraw/zinc/02/15/27/1046021527.db2.gz OBOZIJUZLJTNKF-INIZCTEOSA-N 1 0 342.439 4.099 20 5 EIBDRO CC[N@H+](Cc1cccs1)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170350930 1046023689 /nfs/dbraw/zinc/02/36/89/1046023689.db2.gz CRVWYOJVGVWDHE-CYBMUJFWSA-N 1 0 334.441 4.118 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000152523358 1046101092 /nfs/dbraw/zinc/10/10/92/1046101092.db2.gz QUXLADCTHPPKMO-IRXDYDNUSA-N 1 0 339.439 4.080 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000763413887 1046144441 /nfs/dbraw/zinc/14/44/41/1046144441.db2.gz HQACRPMMPHJBEH-BIENJYKASA-N 1 0 346.402 4.205 20 5 EIBDRO C[NH+]1C(C)(C)CC(Nc2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC001170449939 1046476744 /nfs/dbraw/zinc/47/67/44/1046476744.db2.gz BHXONPXEGIEDPM-UHFFFAOYSA-N 1 0 325.840 4.312 20 5 EIBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000804532351 1046574106 /nfs/dbraw/zinc/57/41/06/1046574106.db2.gz TZNGTHOJLXVFOB-UHFFFAOYSA-N 1 0 345.443 4.006 20 5 EIBDRO Cc1ccc(CN2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000536661133 1046626291 /nfs/dbraw/zinc/62/62/91/1046626291.db2.gz JQSCYLJETKWLMI-KUHUBIRLSA-N 1 0 344.386 4.004 20 5 EIBDRO CCCCOC1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000536663755 1046636974 /nfs/dbraw/zinc/63/69/74/1046636974.db2.gz SVYQJHFSHQZKQQ-UHFFFAOYSA-N 1 0 334.460 4.499 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000536676556 1046661819 /nfs/dbraw/zinc/66/18/19/1046661819.db2.gz SEZQKLSYTZQROJ-MTIYJEKLSA-N 1 0 330.428 4.032 20 5 EIBDRO CC(C)c1ncc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000154302551 1046791391 /nfs/dbraw/zinc/79/13/91/1046791391.db2.gz JSSBHHSEWNYLSB-UHFFFAOYSA-N 1 0 331.441 4.339 20 5 EIBDRO C[C@@H](CO)CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000536837547 1046812365 /nfs/dbraw/zinc/81/23/65/1046812365.db2.gz HADRQTJVHSYJFW-KGLIPLIRSA-N 1 0 348.468 4.383 20 5 EIBDRO C[C@@H]([NH2+]CCC[C@H](C)CO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000536837555 1046813038 /nfs/dbraw/zinc/81/30/38/1046813038.db2.gz HADRQTJVHSYJFW-UONOGXRCSA-N 1 0 348.468 4.383 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]CC2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000536858027 1046827426 /nfs/dbraw/zinc/82/74/26/1046827426.db2.gz MAKOXBKTDCSMNA-CQSZACIVSA-N 1 0 340.423 4.059 20 5 EIBDRO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000459642410 1046831004 /nfs/dbraw/zinc/83/10/04/1046831004.db2.gz BPVFNXNTQSRGQR-IRXDYDNUSA-N 1 0 341.455 4.312 20 5 EIBDRO COc1ccccc1[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000536880090 1046844444 /nfs/dbraw/zinc/84/44/44/1046844444.db2.gz ZGBVARYBUWNGAA-HNNXBMFYSA-N 1 0 328.412 4.277 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000536912140 1046863058 /nfs/dbraw/zinc/86/30/58/1046863058.db2.gz YBWJZYIYTOJCIA-ZYKCCNLVSA-N 1 0 326.396 4.199 20 5 EIBDRO C[C@@]1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC=CCC1 ZINC000459748787 1046872634 /nfs/dbraw/zinc/87/26/34/1046872634.db2.gz ICHXRJHXNWNRDS-QGZVFWFLSA-N 1 0 329.425 4.307 20 5 EIBDRO COCCSc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000537104794 1046933276 /nfs/dbraw/zinc/93/32/76/1046933276.db2.gz UGWADJJXOOTWMB-AWEZNQCLSA-N 1 0 346.452 4.184 20 5 EIBDRO CC(C)(C)[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000154491087 1047080687 /nfs/dbraw/zinc/08/06/87/1047080687.db2.gz BMARVUHXPOXGKD-ZWKOTPCHSA-N 1 0 328.412 4.005 20 5 EIBDRO CS[C@@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537325744 1047110694 /nfs/dbraw/zinc/11/06/94/1047110694.db2.gz OFCNTYJEXPWYLX-JTQLQIEISA-N 1 0 340.832 4.349 20 5 EIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000917831926 1047160240 /nfs/dbraw/zinc/16/02/40/1047160240.db2.gz VGUSJMKORAUPDD-KRWDZBQOSA-N 1 0 332.350 4.080 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806148327 1047172474 /nfs/dbraw/zinc/17/24/74/1047172474.db2.gz SQEKQMHWSZVIDC-MRXNPFEDSA-N 1 0 345.830 4.243 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000788601391 1047243508 /nfs/dbraw/zinc/24/35/08/1047243508.db2.gz JEXZXYZOEXOBES-QLJPJBMISA-N 1 0 335.354 4.257 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788671813 1047270399 /nfs/dbraw/zinc/27/03/99/1047270399.db2.gz NXVVAUVLWREAHY-YVEFUNNKSA-N 1 0 325.412 4.250 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCCc2ccc(F)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788801713 1047305286 /nfs/dbraw/zinc/30/52/86/1047305286.db2.gz BRPYFTUEPWBMAO-GTNSWQLSSA-N 1 0 329.375 4.044 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788801611 1047308260 /nfs/dbraw/zinc/30/82/60/1047308260.db2.gz BCOATWSWBLRHNT-YLQAJVPDSA-N 1 0 343.402 4.303 20 5 EIBDRO C[C@H]([NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788801602 1047308464 /nfs/dbraw/zinc/30/84/64/1047308464.db2.gz BCOATWSWBLRHNT-MJEQTWJJSA-N 1 0 343.402 4.303 20 5 EIBDRO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000609281039 1047476203 /nfs/dbraw/zinc/47/62/03/1047476203.db2.gz ZIJXZCGZIZJAQO-GOSISDBHSA-N 1 0 326.396 4.331 20 5 EIBDRO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000556132943 1047484072 /nfs/dbraw/zinc/48/40/72/1047484072.db2.gz UWVFVPMGONKCTR-XAUMDUMWSA-N 1 0 339.439 4.081 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCC3CCC(F)(F)CC3)nc2c1 ZINC000898032235 1047535639 /nfs/dbraw/zinc/53/56/39/1047535639.db2.gz MUBXYSMZVYWGQF-UHFFFAOYSA-N 1 0 339.342 4.041 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCc1c(F)cccc1F)C1CC1 ZINC001168310581 1047816409 /nfs/dbraw/zinc/81/64/09/1047816409.db2.gz VSPFBILRMYNWTA-UHFFFAOYSA-N 1 0 332.350 4.080 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)c1ccc([N+](=O)[O-])cc1 ZINC000824463031 1047876928 /nfs/dbraw/zinc/87/69/28/1047876928.db2.gz ZFKVBCJGZZNWOI-ZDUSSCGKSA-N 1 0 326.396 4.159 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc1 ZINC000808449943 1047915202 /nfs/dbraw/zinc/91/52/02/1047915202.db2.gz IGLNKMFKWLSLAG-LEWJYISDSA-N 1 0 348.402 4.159 20 5 EIBDRO CC[C@@H](c1ccccc1OC)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC001170770063 1048220935 /nfs/dbraw/zinc/22/09/35/1048220935.db2.gz XTYCDPXTVYKCMS-SFHVURJKSA-N 1 0 328.412 4.229 20 5 EIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844436973 1048337646 /nfs/dbraw/zinc/33/76/46/1048337646.db2.gz JVPSVNOLHLNGJY-MRXNPFEDSA-N 1 0 340.370 4.003 20 5 EIBDRO Cc1nccnc1CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000815155065 1048353227 /nfs/dbraw/zinc/35/32/27/1048353227.db2.gz WBEQRIPXHHDHAT-UHFFFAOYSA-N 1 0 327.431 4.424 20 5 EIBDRO CC(C)C[C@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000557030343 1048408601 /nfs/dbraw/zinc/40/86/01/1048408601.db2.gz LUVOTZGBPLILRJ-MRXNPFEDSA-N 1 0 343.427 4.303 20 5 EIBDRO OC[C@@H]1C[NH2+]C[C@H]1Nc1c2ccccc2cc2c3ccccc3ccc21 ZINC001170785627 1048467235 /nfs/dbraw/zinc/46/72/35/1048467235.db2.gz YGTNMXXUCWSQHF-HTAPYJJXSA-N 1 0 342.442 4.138 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc(O)cc2)CC2CC2)cc1Cl ZINC000809737461 1048508888 /nfs/dbraw/zinc/50/88/88/1048508888.db2.gz ICBNEJVLYSGAFD-UHFFFAOYSA-N 1 0 346.814 4.366 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+](Cc1ccc(O)cc1)CC1CC1 ZINC000809737936 1048509798 /nfs/dbraw/zinc/50/97/98/1048509798.db2.gz MSSPJWYVNGTJKA-UHFFFAOYSA-N 1 0 346.814 4.366 20 5 EIBDRO C[C@@H](CCOCc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809782425 1048530819 /nfs/dbraw/zinc/53/08/19/1048530819.db2.gz TXFZQKUHPQZYDB-AWEZNQCLSA-N 1 0 348.830 4.333 20 5 EIBDRO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000747620078 1048832609 /nfs/dbraw/zinc/83/26/09/1048832609.db2.gz VMHPGSWHQHXFQP-CYBMUJFWSA-N 1 0 328.387 4.464 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000772950502 1048887326 /nfs/dbraw/zinc/88/73/26/1048887326.db2.gz IXBUUALFXQMCEX-QGZVFWFLSA-N 1 0 326.396 4.161 20 5 EIBDRO C[C@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCCS1 ZINC000811483308 1049080791 /nfs/dbraw/zinc/08/07/91/1049080791.db2.gz GUPGIMXRBAXTHE-CYBMUJFWSA-N 1 0 335.256 4.277 20 5 EIBDRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000609706150 1049280100 /nfs/dbraw/zinc/28/01/00/1049280100.db2.gz GRPOYJPVBGLUMQ-MRXNPFEDSA-N 1 0 348.443 4.110 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC001170648529 1049315905 /nfs/dbraw/zinc/31/59/05/1049315905.db2.gz ABOBUTDBQUXJDN-INIZCTEOSA-N 1 0 346.814 4.292 20 5 EIBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H](C)c1cc(OC)cc(OC)c1 ZINC001170933474 1049352874 /nfs/dbraw/zinc/35/28/74/1049352874.db2.gz KVSAJBRCOYUBHB-INIZCTEOSA-N 1 0 343.491 4.473 20 5 EIBDRO CSC[C@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000609902148 1049389742 /nfs/dbraw/zinc/38/97/42/1049389742.db2.gz NZZCFLFSFSSHRA-AWEZNQCLSA-N 1 0 345.468 4.204 20 5 EIBDRO C[C@H]1C[C@H](N(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000609964759 1049421108 /nfs/dbraw/zinc/42/11/08/1049421108.db2.gz CRZSZTJZKADTMR-FUHWJXTLSA-N 1 0 339.439 4.084 20 5 EIBDRO CCCC(O)(CCC)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000610009988 1049481327 /nfs/dbraw/zinc/48/13/27/1049481327.db2.gz OJDSLRFYVOYJDW-UHFFFAOYSA-N 1 0 346.427 4.276 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000773010074 1049524663 /nfs/dbraw/zinc/52/46/63/1049524663.db2.gz FUJVQLFNKAIYEL-QZTJIDSGSA-N 1 0 348.830 4.413 20 5 EIBDRO CCC[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000773010075 1049525665 /nfs/dbraw/zinc/52/56/65/1049525665.db2.gz FUJVQLFNKAIYEL-ROUUACIJSA-N 1 0 348.830 4.413 20 5 EIBDRO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC001171671576 1049774103 /nfs/dbraw/zinc/77/41/03/1049774103.db2.gz XPXRCBPKMNPJNC-GFCCVEGCSA-N 1 0 332.350 4.035 20 5 EIBDRO C[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC001171671577 1049775457 /nfs/dbraw/zinc/77/54/57/1049775457.db2.gz XPXRCBPKMNPJNC-LBPRGKRZSA-N 1 0 332.350 4.035 20 5 EIBDRO C[C@]1(c2cccc(F)c2)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001171771791 1049793638 /nfs/dbraw/zinc/79/36/38/1049793638.db2.gz IVJOGDOMLQGULP-SFHVURJKSA-N 1 0 332.350 4.037 20 5 EIBDRO Cc1ccc(C[NH+](C)C)cc1N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000179990025 1049814463 /nfs/dbraw/zinc/81/44/63/1049814463.db2.gz YDQVNGGLLIZWSV-OAHLLOKOSA-N 1 0 327.428 4.446 20 5 EIBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(C)(C)CC(C)(C)C1 ZINC001171882266 1049815373 /nfs/dbraw/zinc/81/53/73/1049815373.db2.gz NFKNVOQTEICEBF-CQSZACIVSA-N 1 0 347.459 4.070 20 5 EIBDRO Cc1c(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC000616357142 1049882603 /nfs/dbraw/zinc/88/26/03/1049882603.db2.gz PKPLJUUUIBGIKA-KRWDZBQOSA-N 1 0 338.407 4.439 20 5 EIBDRO Cc1ccc(CC[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)s1 ZINC001172897602 1050202843 /nfs/dbraw/zinc/20/28/43/1050202843.db2.gz AZIVSSMMPTXFNL-MRXNPFEDSA-N 1 0 330.453 4.044 20 5 EIBDRO [NH3+]Cc1ccc2ccn([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)c2c1 ZINC001172897599 1050203714 /nfs/dbraw/zinc/20/37/14/1050203714.db2.gz AZGVKEZUEXUDCZ-GOSISDBHSA-N 1 0 335.407 4.128 20 5 EIBDRO CSc1ccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1 ZINC001172900647 1050204968 /nfs/dbraw/zinc/20/49/68/1050204968.db2.gz XJAQIBUIWFCCHV-KRWDZBQOSA-N 1 0 342.464 4.354 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc3occc3c1)CC2 ZINC001172901090 1050205140 /nfs/dbraw/zinc/20/51/40/1050205140.db2.gz JIVKZMMJUNWXPN-SFHVURJKSA-N 1 0 336.391 4.378 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CC3(C1)CC(F)(F)C3)CC2 ZINC001172902978 1050205197 /nfs/dbraw/zinc/20/51/97/1050205197.db2.gz NXYKXFGAGSCDPE-CQSZACIVSA-N 1 0 336.382 4.010 20 5 EIBDRO CC(C)[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccn1 ZINC001172902432 1050205824 /nfs/dbraw/zinc/20/58/24/1050205824.db2.gz YLCHOLWVERBKSX-FXAWDEMLSA-N 1 0 339.439 4.224 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCc3cc(F)ccc31)CC2 ZINC001172904684 1050207621 /nfs/dbraw/zinc/20/76/21/1050207621.db2.gz ZRVUQRJWAMETSN-XLIONFOSSA-N 1 0 340.398 4.258 20 5 EIBDRO [NH2+]=C(N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C1CCCCCC1 ZINC001172913624 1050231171 /nfs/dbraw/zinc/23/11/71/1050231171.db2.gz XVNZRZAQZQZXBT-QGZVFWFLSA-N 1 0 329.444 4.379 20 5 EIBDRO Cc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC001177519913 1050236918 /nfs/dbraw/zinc/23/69/18/1050236918.db2.gz RSVFBOJTPJBJEA-MOPGFXCFSA-N 1 0 344.386 4.052 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCc3ccc(F)cc31)CC2 ZINC001172910736 1050246202 /nfs/dbraw/zinc/24/62/02/1050246202.db2.gz CFMSZXWGMPCLDZ-PXNSSMCTSA-N 1 0 340.398 4.258 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H](CF)c1ccccc1)CC2 ZINC001172911212 1050246215 /nfs/dbraw/zinc/24/62/15/1050246215.db2.gz HNVLVPABJPUIQX-PKOBYXMFSA-N 1 0 328.387 4.143 20 5 EIBDRO CCCCC[C@@H](C)[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173190461 1050336981 /nfs/dbraw/zinc/33/69/81/1050336981.db2.gz YRLMGXPUTMUSGZ-OLZOCXBDSA-N 1 0 326.412 4.232 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C)C2CCCCC2)c1F ZINC001173189365 1050337359 /nfs/dbraw/zinc/33/73/59/1050337359.db2.gz OQGAQDDWZYYJGT-QWHCGFSZSA-N 1 0 338.423 4.232 20 5 EIBDRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173183646 1050337918 /nfs/dbraw/zinc/33/79/18/1050337918.db2.gz CPMYBGZRMZTPCS-RWMBFGLXSA-N 1 0 326.412 4.088 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1c(F)ccc(F)c1Cl ZINC001173215315 1050347642 /nfs/dbraw/zinc/34/76/42/1050347642.db2.gz UTKVPFCRSIHGKV-JTQLQIEISA-N 1 0 340.757 4.247 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC001173218226 1050350451 /nfs/dbraw/zinc/35/04/51/1050350451.db2.gz CDURAZGVNYKROS-ORAYPTAESA-N 1 0 328.387 4.332 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1c(F)ccc(Cl)c1F ZINC001173215650 1050350992 /nfs/dbraw/zinc/35/09/92/1050350992.db2.gz XQYQRVLGQUPMNN-SNVBAGLBSA-N 1 0 340.757 4.247 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC001173217782 1050351494 /nfs/dbraw/zinc/35/14/94/1050351494.db2.gz GBKOHHFUDALOIH-BFUOFWGJSA-N 1 0 328.387 4.406 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001173218348 1050352719 /nfs/dbraw/zinc/35/27/19/1050352719.db2.gz AJEMGPZSPHFPPC-PIGZYNQJSA-N 1 0 332.350 4.081 20 5 EIBDRO COc1ccc([C@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC001173220059 1050353180 /nfs/dbraw/zinc/35/31/80/1050353180.db2.gz SJLNXCHEMDKEQF-JLTOFOAXSA-N 1 0 340.423 4.275 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1CCC(F)(F)CC1 ZINC001173221644 1050354467 /nfs/dbraw/zinc/35/44/67/1050354467.db2.gz OHXVRZFXGXGVPW-CYBMUJFWSA-N 1 0 326.387 4.331 20 5 EIBDRO CC(C)C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001173222067 1050354862 /nfs/dbraw/zinc/35/48/62/1050354862.db2.gz SUHVDWPIGVNJDG-HNAYVOBHSA-N 1 0 327.428 4.298 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1CCC(F)(F)CC1 ZINC001173221646 1050355468 /nfs/dbraw/zinc/35/54/68/1050355468.db2.gz OHXVRZFXGXGVPW-ZDUSSCGKSA-N 1 0 326.387 4.331 20 5 EIBDRO COc1ccccc1[C@H]1CCC[N@@H+]1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173228385 1050356389 /nfs/dbraw/zinc/35/63/89/1050356389.db2.gz VUBKVNUUGZEYHH-HNAYVOBHSA-N 1 0 340.423 4.372 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC001173228399 1050357795 /nfs/dbraw/zinc/35/77/95/1050357795.db2.gz VWJRYGBONXNMDD-HNAYVOBHSA-N 1 0 342.464 4.316 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(Cc2ccccc2F)CC1 ZINC001173230051 1050360134 /nfs/dbraw/zinc/36/01/34/1050360134.db2.gz QANLQJDYMVRMEY-CQSZACIVSA-N 1 0 328.387 4.030 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cc(C[NH3+])c2cc(Cl)ccc21 ZINC001173232993 1050360852 /nfs/dbraw/zinc/36/08/52/1050360852.db2.gz GNCYYOGTLRDZIY-GFCCVEGCSA-N 1 0 343.814 4.465 20 5 EIBDRO CC[N@H+](Cc1cccc(F)c1F)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233673 1050362691 /nfs/dbraw/zinc/36/26/91/1050362691.db2.gz XXEKTEDKCUDVMZ-ZDUSSCGKSA-N 1 0 334.366 4.326 20 5 EIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCC2)c1 ZINC000181880971 1050367307 /nfs/dbraw/zinc/36/73/07/1050367307.db2.gz YNQXZVZOHXJZEU-INIZCTEOSA-N 1 0 339.439 4.088 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1ccnc(Cl)c1)C1CC1 ZINC001173236275 1050372963 /nfs/dbraw/zinc/37/29/63/1050372963.db2.gz ZORHFOIUCIYWED-KPZWWZAWSA-N 1 0 345.830 4.315 20 5 EIBDRO CCCOc1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173212934 1050374382 /nfs/dbraw/zinc/37/43/82/1050374382.db2.gz CYEANZCNMORZRD-OAHLLOKOSA-N 1 0 328.412 4.104 20 5 EIBDRO CCCNc1ccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC001178648090 1050524851 /nfs/dbraw/zinc/52/48/51/1050524851.db2.gz RBSKSDOMLBFADL-UHFFFAOYSA-N 1 0 327.428 4.323 20 5 EIBDRO CCOc1cc(NC2CCC(C)([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC001187639534 1050585211 /nfs/dbraw/zinc/58/52/11/1050585211.db2.gz FFORYLSKZAAXQU-UHFFFAOYSA-N 1 0 347.459 4.203 20 5 EIBDRO CCCC[C@](C)(CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001179025477 1050603517 /nfs/dbraw/zinc/60/35/17/1050603517.db2.gz XWWSMFVJTPFSMM-GOSISDBHSA-N 1 0 348.468 4.354 20 5 EIBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cccc(F)c1 ZINC001173837834 1050605261 /nfs/dbraw/zinc/60/52/61/1050605261.db2.gz PJKNWEFJVTWYPE-UHFFFAOYSA-N 1 0 347.393 4.383 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[C@@H]4C[C@@H]43)o2)cc1 ZINC001179169034 1050646692 /nfs/dbraw/zinc/64/66/92/1050646692.db2.gz PSGMEWORLDMJGN-VKJFTORMSA-N 1 0 326.396 4.381 20 5 EIBDRO Cc1cc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c2c(n1)CCCC2 ZINC001179685233 1050746771 /nfs/dbraw/zinc/74/67/71/1050746771.db2.gz HRXDDQVPKMKEDP-AWEZNQCLSA-N 1 0 339.439 4.070 20 5 EIBDRO C[C@@H](C[NH2+]Cc1cccc(OC(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC001179685289 1050748666 /nfs/dbraw/zinc/74/86/66/1050748666.db2.gz JBQYJBIJDWCSEA-LBPRGKRZSA-N 1 0 336.338 4.090 20 5 EIBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCS1 ZINC001179717457 1050762717 /nfs/dbraw/zinc/76/27/17/1050762717.db2.gz SXOORVSNSCRQLG-JSGCOSHPSA-N 1 0 332.425 4.229 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC001180317927 1050951056 /nfs/dbraw/zinc/95/10/56/1050951056.db2.gz RPUUXWLVLDLHBH-OAHLLOKOSA-N 1 0 342.439 4.449 20 5 EIBDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC001180392497 1050975774 /nfs/dbraw/zinc/97/57/74/1050975774.db2.gz FPRADFOEGBMSFJ-UWVGGRQHSA-N 1 0 347.278 4.429 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000183515910 1051146220 /nfs/dbraw/zinc/14/62/20/1051146220.db2.gz RHOPVCBVFMAQFE-JBBXEZCESA-N 1 0 346.814 4.429 20 5 EIBDRO CCC[N@H+](CC1CCCCC1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001190484871 1051187590 /nfs/dbraw/zinc/18/75/90/1051187590.db2.gz DJPHRCGUUYWXBN-OAHLLOKOSA-N 1 0 347.459 4.214 20 5 EIBDRO C[C@@H]([NH2+]Cc1cc(Br)cs1)c1ccccc1[N+](=O)[O-] ZINC000071307860 1051191480 /nfs/dbraw/zinc/19/14/80/1051191480.db2.gz SFSUSRPCTWSKDA-SECBINFHSA-N 1 0 341.230 4.270 20 5 EIBDRO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000183710959 1051309840 /nfs/dbraw/zinc/30/98/40/1051309840.db2.gz BBDHNQQGUUCTSM-CQSZACIVSA-N 1 0 337.379 4.443 20 5 EIBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000163241799 1051366839 /nfs/dbraw/zinc/36/68/39/1051366839.db2.gz PCIOZUFIFUNOMY-PBHICJAKSA-N 1 0 343.427 4.351 20 5 EIBDRO CCC(CC)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(C)C ZINC001191375915 1051447585 /nfs/dbraw/zinc/44/75/85/1051447585.db2.gz ZDFSGYJHAXKKAW-UHFFFAOYSA-N 1 0 349.475 4.378 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CCC1 ZINC001182285233 1051467390 /nfs/dbraw/zinc/46/73/90/1051467390.db2.gz KKTKPCCARSRHDF-GFCCVEGCSA-N 1 0 347.278 4.477 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1F ZINC000131038047 1051472549 /nfs/dbraw/zinc/47/25/49/1051472549.db2.gz WZNYXVXZGXVHKW-SNVBAGLBSA-N 1 0 338.766 4.247 20 5 EIBDRO CN(C)c1ccc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cn1 ZINC001175345255 1051513839 /nfs/dbraw/zinc/51/38/39/1051513839.db2.gz UBIIPXBASXHWBJ-UHFFFAOYSA-N 1 0 329.407 4.175 20 5 EIBDRO CCC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001191985333 1051595103 /nfs/dbraw/zinc/59/51/03/1051595103.db2.gz AALDAGPFNSARPJ-GFCCVEGCSA-N 1 0 341.249 4.369 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(=Cc3cccc(F)c3)CC2)cc1 ZINC001192379949 1051710508 /nfs/dbraw/zinc/71/05/08/1051710508.db2.gz JQSWHVYSTYJRPQ-UHFFFAOYSA-N 1 0 340.398 4.456 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(Cl)nc(Cl)c2)cc1[N+](=O)[O-] ZINC000775550225 1051814514 /nfs/dbraw/zinc/81/45/14/1051814514.db2.gz VZSSYMOLYXPUCU-JTQLQIEISA-N 1 0 340.210 4.456 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](CC2CC2)c2ccccc2)cc1 ZINC001192823962 1051814693 /nfs/dbraw/zinc/81/46/93/1051814693.db2.gz OIGRUJVLGFYFCL-IBGZPJMESA-N 1 0 326.396 4.105 20 5 EIBDRO C[C@@H]1CC[C@H]([NH2+]Cc2c(Br)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001193649802 1051968673 /nfs/dbraw/zinc/96/86/73/1051968673.db2.gz XPGPLBSFFJXYKY-SUNKGSAMSA-N 1 0 341.249 4.272 20 5 EIBDRO C[N@H+](CCSCc1ccccc1)CCc1cccc([N+](=O)[O-])c1 ZINC001193743854 1051980935 /nfs/dbraw/zinc/98/09/35/1051980935.db2.gz VRRUQXSIKWUKOY-UHFFFAOYSA-N 1 0 330.453 4.003 20 5 EIBDRO CCC[NH+](CCC)CCCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001184491486 1052012625 /nfs/dbraw/zinc/01/26/25/1052012625.db2.gz LCVLCNBZYPJELG-UHFFFAOYSA-N 1 0 336.461 4.129 20 5 EIBDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)cc1 ZINC001193932529 1052023652 /nfs/dbraw/zinc/02/36/52/1052023652.db2.gz PSXUOMQHMSMSTI-WMLDXEAASA-N 1 0 328.387 4.420 20 5 EIBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1C(F)F)c1cccs1 ZINC001184523961 1052026008 /nfs/dbraw/zinc/02/60/08/1052026008.db2.gz DQEJNAHRHLLZCI-CYBMUJFWSA-N 1 0 341.383 4.309 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC001184500000 1052031370 /nfs/dbraw/zinc/03/13/70/1052031370.db2.gz ATBLFNAAEDYBKF-LJQANCHMSA-N 1 0 325.412 4.152 20 5 EIBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001194166342 1052094262 /nfs/dbraw/zinc/09/42/62/1052094262.db2.gz YUCWNUKEGBXROE-GHMZBOCLSA-N 1 0 341.249 4.272 20 5 EIBDRO C[NH+](C)C1(CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC001184759241 1052094902 /nfs/dbraw/zinc/09/49/02/1052094902.db2.gz YPHRKRYDPPLKQW-UHFFFAOYSA-N 1 0 332.231 4.188 20 5 EIBDRO CCCCO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001194194372 1052102177 /nfs/dbraw/zinc/10/21/77/1052102177.db2.gz ZQGYFMPEOIXDPX-HOTGVXAUSA-N 1 0 340.851 4.322 20 5 EIBDRO O=[N+]([O-])c1ccc(NCCC[NH2+]C2CCCCC2)cc1C(F)(F)F ZINC001184792901 1052107660 /nfs/dbraw/zinc/10/76/60/1052107660.db2.gz LSEUZAJJQDWYFT-UHFFFAOYSA-N 1 0 345.365 4.338 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC001184829947 1052112180 /nfs/dbraw/zinc/11/21/80/1052112180.db2.gz IKKFSXNGUQGADN-UHFFFAOYSA-N 1 0 327.428 4.356 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)C2)cc1 ZINC001194478694 1052158288 /nfs/dbraw/zinc/15/82/88/1052158288.db2.gz WTNVXUKVCLQXCT-SDNTUTLCSA-N 1 0 336.382 4.066 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000774836812 1052186484 /nfs/dbraw/zinc/18/64/84/1052186484.db2.gz RTZLRVOTACINJN-LBPRGKRZSA-N 1 0 334.803 4.498 20 5 EIBDRO CCC[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC001176776773 1052189302 /nfs/dbraw/zinc/18/93/02/1052189302.db2.gz APJKDORKABDRFG-GFCCVEGCSA-N 1 0 327.222 4.122 20 5 EIBDRO C[NH+](C)[C@H](CNc1c(F)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001185583438 1052273687 /nfs/dbraw/zinc/27/36/87/1052273687.db2.gz JZEUHHUCFPBDIC-OAHLLOKOSA-N 1 0 337.782 4.102 20 5 EIBDRO CC[NH+](CC)CCCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001185726140 1052288306 /nfs/dbraw/zinc/28/83/06/1052288306.db2.gz GMVIIDJTLJLLGY-UHFFFAOYSA-N 1 0 334.247 4.436 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H]3c3ccsc3)nc2c1 ZINC000083168624 1052841173 /nfs/dbraw/zinc/84/11/73/1052841173.db2.gz OBQLJXLHUUZCQU-CQSZACIVSA-N 1 0 329.381 4.135 20 5 EIBDRO CC[NH+](CC)Cc1cccc(NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000864002639 1053125595 /nfs/dbraw/zinc/12/55/95/1053125595.db2.gz SPGUQHPMSPMAJW-UHFFFAOYSA-N 1 0 327.428 4.357 20 5 EIBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001194953613 1053200358 /nfs/dbraw/zinc/20/03/58/1053200358.db2.gz QJFHXWBJZIIOKN-FZKQIMNGSA-N 1 0 329.400 4.308 20 5 EIBDRO CCOc1cc(C[N@H+](C)[C@@H](C)Cc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC001195013894 1053214926 /nfs/dbraw/zinc/21/49/26/1053214926.db2.gz MVMCNSCWAKKLJG-AWEZNQCLSA-N 1 0 346.402 4.196 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000850472237 1053249109 /nfs/dbraw/zinc/24/91/09/1053249109.db2.gz WUDXLXHANDNZPP-KBPBESRZSA-N 1 0 326.396 4.332 20 5 EIBDRO Cc1c(C[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC001195256802 1053349008 /nfs/dbraw/zinc/34/90/08/1053349008.db2.gz CQFKONKELBFJCU-KRWDZBQOSA-N 1 0 346.377 4.389 20 5 EIBDRO COc1cc(C[N@H+](C)[C@H]2CCC[C@H]2C(C)(C)C)c([N+](=O)[O-])cc1F ZINC001195279895 1053357885 /nfs/dbraw/zinc/35/78/85/1053357885.db2.gz PNCQHIXZSQNDTQ-HIFRSBDPSA-N 1 0 338.423 4.389 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCOc1ccccc1F ZINC000764931542 1053383130 /nfs/dbraw/zinc/38/31/30/1053383130.db2.gz XPLRYPHBULBUTC-AWEZNQCLSA-N 1 0 332.375 4.162 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)[C@@H](O)c1ccccc1 ZINC000794828040 1053440049 /nfs/dbraw/zinc/44/00/49/1053440049.db2.gz ATDLBDREWZAKED-QSFXBCCZSA-N 1 0 342.439 4.456 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000794834964 1053475580 /nfs/dbraw/zinc/47/55/80/1053475580.db2.gz YHSZKNITEYPVGM-JVPBZIDWSA-N 1 0 328.412 4.148 20 5 EIBDRO Cc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000776584730 1053561872 /nfs/dbraw/zinc/56/18/72/1053561872.db2.gz PKNBHDZLXTVBIS-ROUUACIJSA-N 1 0 344.411 4.147 20 5 EIBDRO CC(C)C[C@H](O)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000765473804 1053563427 /nfs/dbraw/zinc/56/34/27/1053563427.db2.gz JJZFKHYSJWOZRT-KGLIPLIRSA-N 1 0 348.468 4.381 20 5 EIBDRO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000776589573 1053575147 /nfs/dbraw/zinc/57/51/47/1053575147.db2.gz TVGRDIUJXZRUHC-KKXDTOCCSA-N 1 0 344.411 4.003 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000852594173 1053594680 /nfs/dbraw/zinc/59/46/80/1053594680.db2.gz AGQZIPXNMOTSDV-DYVFJYSZSA-N 1 0 338.835 4.029 20 5 EIBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1Br ZINC001196262910 1053622331 /nfs/dbraw/zinc/62/23/31/1053622331.db2.gz KJFDQHIHVQXMPU-VGPLMAKISA-N 1 0 339.233 4.120 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000853243187 1053659838 /nfs/dbraw/zinc/65/98/38/1053659838.db2.gz YUMNVSUNXVDJDV-UGSOOPFHSA-N 1 0 338.407 4.258 20 5 EIBDRO CC(C)(C)OC1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000866449985 1053735309 /nfs/dbraw/zinc/73/53/09/1053735309.db2.gz BKYWYOPCMXHQRD-MQBCKMQZSA-N 1 0 332.444 4.298 20 5 EIBDRO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000131354389 1053765337 /nfs/dbraw/zinc/76/53/37/1053765337.db2.gz VHBNMQGSEMXACB-AWEZNQCLSA-N 1 0 344.411 4.080 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000131358032 1053766483 /nfs/dbraw/zinc/76/64/83/1053766483.db2.gz QAVAKDFIIAPWSF-UHFFFAOYSA-N 1 0 342.292 4.351 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000866620888 1053809187 /nfs/dbraw/zinc/80/91/87/1053809187.db2.gz NUUCCJOZSHHPGK-QWHCGFSZSA-N 1 0 325.368 4.456 20 5 EIBDRO CC(C)[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000173280304 1053891581 /nfs/dbraw/zinc/89/15/81/1053891581.db2.gz VKENYUHUIXPRQG-UHFFFAOYSA-N 1 0 344.415 4.188 20 5 EIBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC001168570331 1054117167 /nfs/dbraw/zinc/11/71/67/1054117167.db2.gz MWWXAUHFUPBMIS-JQWIXIFHSA-N 1 0 327.222 4.120 20 5 EIBDRO C[N@@H+]1CCC[C@H](CNc2cccc(F)c2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301439317 1054169881 /nfs/dbraw/zinc/16/98/81/1054169881.db2.gz TVCWPBIXJZYKGN-WBMJQRKESA-N 1 0 349.431 4.290 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)CCC2 ZINC000857080803 1054174580 /nfs/dbraw/zinc/17/45/80/1054174580.db2.gz AOPCMHYBPCLJAX-BXUZGUMPSA-N 1 0 329.227 4.146 20 5 EIBDRO C[C@H]1CSCCCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001198517810 1054182094 /nfs/dbraw/zinc/18/20/94/1054182094.db2.gz ROQUIYZHTAZVSH-VIFPVBQESA-N 1 0 335.256 4.229 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCCC23CCCCCC3)cc1 ZINC001198741719 1054238627 /nfs/dbraw/zinc/23/86/27/1054238627.db2.gz JMYBJNVAVOBNQB-GOSISDBHSA-N 1 0 332.444 4.207 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCCC23CCCCCC3)cc1 ZINC001198741720 1054240497 /nfs/dbraw/zinc/24/04/97/1054240497.db2.gz JMYBJNVAVOBNQB-SFHVURJKSA-N 1 0 332.444 4.207 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc([C@H](C)O)cc1 ZINC000872028421 1054344829 /nfs/dbraw/zinc/34/48/29/1054344829.db2.gz RDOSAYVCESGQLG-OLZOCXBDSA-N 1 0 346.452 4.221 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000872037401 1054352047 /nfs/dbraw/zinc/35/20/47/1054352047.db2.gz FNPAMCYGQJNANF-SUMWQHHRSA-N 1 0 346.452 4.091 20 5 EIBDRO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872035768 1054352816 /nfs/dbraw/zinc/35/28/16/1054352816.db2.gz YSLLSFUYCAOSGR-AWEZNQCLSA-N 1 0 345.418 4.036 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)c1ccccc1C ZINC000872041085 1054356496 /nfs/dbraw/zinc/35/64/96/1054356496.db2.gz POGVXMIXBVEKKS-SUMWQHHRSA-N 1 0 346.452 4.009 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000872084762 1054382874 /nfs/dbraw/zinc/38/28/74/1054382874.db2.gz HZVKQHFQUQLLKX-PIGZYNQJSA-N 1 0 344.436 4.360 20 5 EIBDRO C[C@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872093844 1054388133 /nfs/dbraw/zinc/38/81/33/1054388133.db2.gz XJZIZMYWBMJRCI-XJKSGUPXSA-N 1 0 336.407 4.124 20 5 EIBDRO Cc1c(C[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)cccc1[N+](=O)[O-] ZINC000873184582 1054505248 /nfs/dbraw/zinc/50/52/48/1054505248.db2.gz SOCIBSSPGOEZOM-LLVKDONJSA-N 1 0 339.317 4.168 20 5 EIBDRO Cc1c(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)cccc1[N+](=O)[O-] ZINC000873185768 1054505355 /nfs/dbraw/zinc/50/53/55/1054505355.db2.gz SOCIBSSPGOEZOM-NSHDSACASA-N 1 0 339.317 4.168 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccns1 ZINC000858578650 1054524677 /nfs/dbraw/zinc/52/46/77/1054524677.db2.gz WXZMPFNVSLZAQV-GZBFAFLISA-N 1 0 331.441 4.113 20 5 EIBDRO C[C@@]1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCS1 ZINC001201408002 1054778594 /nfs/dbraw/zinc/77/85/94/1054778594.db2.gz OZCKPUVNPVUBHG-KRWDZBQOSA-N 1 0 332.425 4.230 20 5 EIBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1(C)C ZINC001201655756 1054878038 /nfs/dbraw/zinc/87/80/38/1054878038.db2.gz NZFHWMQCGCFHIW-NXOUGTEYSA-N 1 0 344.411 4.004 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc2scnc2c1)c1cccc([N+](=O)[O-])c1 ZINC001201769927 1054901841 /nfs/dbraw/zinc/90/18/41/1054901841.db2.gz MMPZFZOJVMDGKE-HNNXBMFYSA-N 1 0 327.409 4.445 20 5 EIBDRO CCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000126052568 1054937190 /nfs/dbraw/zinc/93/71/90/1054937190.db2.gz LJLNFNJSNRXEJK-KRWDZBQOSA-N 1 0 329.356 4.134 20 5 EIBDRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000877086973 1055016799 /nfs/dbraw/zinc/01/67/99/1055016799.db2.gz DANYLLJQEUERDS-KPWVOAKYSA-N 1 0 348.767 4.061 20 5 EIBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](CC3CCC3)c3ccccc3)C2)c1 ZINC000877164874 1055030675 /nfs/dbraw/zinc/03/06/75/1055030675.db2.gz FFGUPMZEMRPDMP-FAFZWHIHSA-N 1 0 340.427 4.016 20 5 EIBDRO CC(C)[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCCCC1 ZINC000878230003 1055213884 /nfs/dbraw/zinc/21/38/84/1055213884.db2.gz CPYKHGBBSLVJKS-UHFFFAOYSA-N 1 0 344.415 4.188 20 5 EIBDRO C[C@@H](C1CCCCC1)[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878522258 1055332557 /nfs/dbraw/zinc/33/25/57/1055332557.db2.gz MGJXVMUUOGLBEK-ZDUSSCGKSA-N 1 0 344.415 4.045 20 5 EIBDRO C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000326784566 1055520369 /nfs/dbraw/zinc/52/03/69/1055520369.db2.gz VLOMTXCGWPJHDY-OXJNMPFZSA-N 1 0 339.439 4.083 20 5 EIBDRO CCOc1cc(NC2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301568827 1055736077 /nfs/dbraw/zinc/73/60/77/1055736077.db2.gz XHDVSLWMTBVLRK-UHFFFAOYSA-N 1 0 347.459 4.203 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000542698970 1055845751 /nfs/dbraw/zinc/84/57/51/1055845751.db2.gz CHSHZJIYIBAALC-UHFFFAOYSA-N 1 0 346.471 4.465 20 5 EIBDRO CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000765846242 1055853265 /nfs/dbraw/zinc/85/32/65/1055853265.db2.gz WUIWYRQXCGWCNE-IFXJQAMLSA-N 1 0 328.412 4.102 20 5 EIBDRO Cc1ccc(C)n1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000542705889 1055857868 /nfs/dbraw/zinc/85/78/68/1055857868.db2.gz KHMAORHZUXUPMU-UHFFFAOYSA-N 1 0 327.428 4.159 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000273471282 1055860700 /nfs/dbraw/zinc/86/07/00/1055860700.db2.gz SAHPEHXRWFOTGV-BOFPYLFWSA-N 1 0 344.386 4.305 20 5 EIBDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765847983 1055876434 /nfs/dbraw/zinc/87/64/34/1055876434.db2.gz DFUGFTMDLJNWEI-WOJBJXKFSA-N 1 0 342.439 4.314 20 5 EIBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273538505 1055921454 /nfs/dbraw/zinc/92/14/54/1055921454.db2.gz SOTFAEKNILFVLU-HKUYNNGSSA-N 1 0 344.386 4.086 20 5 EIBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273538506 1055921898 /nfs/dbraw/zinc/92/18/98/1055921898.db2.gz SOTFAEKNILFVLU-IEBWSBKVSA-N 1 0 344.386 4.086 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2C2CCCC2)cc1[N+](=O)[O-] ZINC000921818149 1056633308 /nfs/dbraw/zinc/63/33/08/1056633308.db2.gz NPQZOPYGKFYTEO-AWEZNQCLSA-N 1 0 342.443 4.145 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000741321685 1058196081 /nfs/dbraw/zinc/19/60/81/1058196081.db2.gz VPXASYYMRHDVPK-AWEZNQCLSA-N 1 0 340.423 4.333 20 5 EIBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000742177408 1058548959 /nfs/dbraw/zinc/54/89/59/1058548959.db2.gz FKXHOOOCTJSYTQ-SFHVURJKSA-N 1 0 344.459 4.017 20 5 EIBDRO CCOc1cc(C[NH2+][C@H](C)c2cc(C)ccc2C)ccc1[N+](=O)[O-] ZINC001168925998 1060504652 /nfs/dbraw/zinc/50/46/52/1060504652.db2.gz WRJZSXZVZPFFPB-OAHLLOKOSA-N 1 0 328.412 4.461 20 5 EIBDRO CC(C)(Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168995583 1060569288 /nfs/dbraw/zinc/56/92/88/1060569288.db2.gz SBLPJTUEUHOHNV-HIFRSBDPSA-N 1 0 344.377 4.062 20 5 EIBDRO C[N@H+](Cc1ccc(Oc2ccccc2)cc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037067 1060593778 /nfs/dbraw/zinc/59/37/78/1060593778.db2.gz IOWGFBKHAGBIPW-QZTJIDSGSA-N 1 0 340.423 4.356 20 5 EIBDRO CC1(C)CCCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766577093 1060606243 /nfs/dbraw/zinc/60/62/43/1060606243.db2.gz SZEGEOLBVPZTAT-GOSISDBHSA-N 1 0 331.460 4.122 20 5 EIBDRO CC1(C)C[C@@H](Nc2cc3cc[nH]c3c([N+](=O)[O-])c2)C[C@@](C)(C[NH3+])C1 ZINC001169145295 1060666138 /nfs/dbraw/zinc/66/61/38/1060666138.db2.gz OPMZYROBPDGBOI-RDTXWAMCSA-N 1 0 330.432 4.032 20 5 EIBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC001169363564 1060781598 /nfs/dbraw/zinc/78/15/98/1060781598.db2.gz AQKPIGNMTVTYTI-YJBOKZPZSA-N 1 0 328.387 4.235 20 5 EIBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc([N+](=O)[O-])cc(F)c1C ZINC001169689264 1060899789 /nfs/dbraw/zinc/89/97/89/1060899789.db2.gz GRCCCMQTHKAERG-MRXNPFEDSA-N 1 0 329.375 4.282 20 5 EIBDRO CCOc1cc(N2CCC[C@H]([NH3+])c3cc(C)ccc32)ccc1[N+](=O)[O-] ZINC001169689101 1060900414 /nfs/dbraw/zinc/90/04/14/1060900414.db2.gz ACFKKPSXVOWZAP-INIZCTEOSA-N 1 0 341.411 4.234 20 5 EIBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc([N+](=O)[O-])c2cnccc21 ZINC001169695557 1060903891 /nfs/dbraw/zinc/90/38/91/1060903891.db2.gz GTLLPMWVKSZSTC-QGZVFWFLSA-N 1 0 348.406 4.383 20 5 EIBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000036226947 213077968 /nfs/dbraw/zinc/07/79/68/213077968.db2.gz FYJFZFWLZSXZAS-CYBMUJFWSA-N 1 0 325.821 4.025 20 5 EIBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cc2cccc(F)c2o1 ZINC000475706888 1032376447 /nfs/dbraw/zinc/37/64/47/1032376447.db2.gz BBBSOBQSBGIKFG-LBPRGKRZSA-N 1 0 344.342 4.210 20 5 EIBDRO CC(C)C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCC1 ZINC000532933754 1032402909 /nfs/dbraw/zinc/40/29/09/1032402909.db2.gz MFTUMMBODAPTQP-UHFFFAOYSA-N 1 0 344.415 4.045 20 5 EIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc2cccc(F)c2o1 ZINC000475712027 1032414859 /nfs/dbraw/zinc/41/48/59/1032414859.db2.gz FFUPSWHYXNDGIM-GFCCVEGCSA-N 1 0 328.343 4.373 20 5 EIBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCOc2ccccc21 ZINC000897383782 1032511261 /nfs/dbraw/zinc/51/12/61/1032511261.db2.gz ATUFQABYLGNPMY-KRWDZBQOSA-N 1 0 332.787 4.036 20 5 EIBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC1CCCCC1 ZINC000533223016 1032549973 /nfs/dbraw/zinc/54/99/73/1032549973.db2.gz YRBDYIRQZQKTLC-UHFFFAOYSA-N 1 0 343.427 4.304 20 5 EIBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCCCC1 ZINC000533215611 1032544694 /nfs/dbraw/zinc/54/46/94/1032544694.db2.gz ZOGBJHBUUHFHFR-UHFFFAOYSA-N 1 0 343.427 4.447 20 5 EIBDRO Cc1ccccc1[C@H]1CN(Cc2cccc([N+](=O)[O-])c2C)[C@H](C)CO1 ZINC000441436354 1032622056 /nfs/dbraw/zinc/62/20/56/1032622056.db2.gz GQTWKQZNIOIFEW-FOIQADDNSA-N 1 0 340.423 4.174 20 5 EIBDRO C[C@@H]1CCC[C@H](C)[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000533432023 1032757644 /nfs/dbraw/zinc/75/76/44/1032757644.db2.gz TZNRYTJPZWDBAJ-CABCVRRESA-N 1 0 343.427 4.303 20 5 EIBDRO CC[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000533435602 1032762892 /nfs/dbraw/zinc/76/28/92/1032762892.db2.gz NGFTZAZYJQYHSH-OAHLLOKOSA-N 1 0 343.427 4.304 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccc(Cl)cc1 ZINC000430225832 1019500343 /nfs/dbraw/zinc/50/03/43/1019500343.db2.gz ZCDCNNYPKQZVKR-MRXNPFEDSA-N 1 0 334.803 4.498 20 5 EIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC001167251972 1020678967 /nfs/dbraw/zinc/67/89/67/1020678967.db2.gz PFHWBOZKJDJGAY-KRWDZBQOSA-N 1 0 332.444 4.408 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCC[C@H]3c3ccccc3)nc2c1 ZINC000133916233 1020859889 /nfs/dbraw/zinc/85/98/89/1020859889.db2.gz DEEJAKNQVAPORB-JKSUJKDBSA-N 1 0 337.379 4.162 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc(-c3cccs3)s2)cc1 ZINC000177576567 1020989157 /nfs/dbraw/zinc/98/91/57/1020989157.db2.gz VGISGWFIRKGQGN-UHFFFAOYSA-N 1 0 345.449 4.112 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCCOc2cc(F)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000179964034 1021186661 /nfs/dbraw/zinc/18/66/61/1021186661.db2.gz XTWWGVOJLCNNBZ-SJCJKPOMSA-N 1 0 330.359 4.298 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000610369755 1021549243 /nfs/dbraw/zinc/54/92/43/1021549243.db2.gz SSJYTLQQDMOKQJ-KSSFIOAISA-N 1 0 328.437 4.446 20 5 EIBDRO COc1cccc2cc([C@H](C)[NH2+]CCc3ccccc3[N+](=O)[O-])oc21 ZINC000548067306 1021787180 /nfs/dbraw/zinc/78/71/80/1021787180.db2.gz LAPQZEWYBJVPAL-ZDUSSCGKSA-N 1 0 340.379 4.243 20 5 EIBDRO CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001167377580 1021840344 /nfs/dbraw/zinc/84/03/44/1021840344.db2.gz VJOPQFOFTCGDSF-GFCCVEGCSA-N 1 0 341.249 4.369 20 5 EIBDRO CC1(C2CC2)CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000581457655 1021852731 /nfs/dbraw/zinc/85/27/31/1021852731.db2.gz FUJLGOJVCIVSGQ-UHFFFAOYSA-N 1 0 341.411 4.262 20 5 EIBDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC001167387869 1021934530 /nfs/dbraw/zinc/93/45/30/1021934530.db2.gz XXMXLANRMJPZQM-KRWDZBQOSA-N 1 0 328.387 4.249 20 5 EIBDRO C[C@@H](N[C@H](c1ccccc1)c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000173980908 1021995454 /nfs/dbraw/zinc/99/54/54/1021995454.db2.gz UUXOIVXUMCFYKE-FOIQADDNSA-N 1 0 333.391 4.430 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]C2CCC(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000414178429 1022037425 /nfs/dbraw/zinc/03/74/25/1022037425.db2.gz JUNIWQIBNPRBAW-DCBWTQNWSA-N 1 0 342.386 4.468 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]Cc2cnccc2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000414238548 1022278848 /nfs/dbraw/zinc/27/88/48/1022278848.db2.gz XRMACTJAYJOBMR-CQSZACIVSA-N 1 0 327.428 4.447 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000414282957 1022399795 /nfs/dbraw/zinc/39/97/95/1022399795.db2.gz OMFWQHKYRSWMSY-QWRGUYRKSA-N 1 0 334.338 4.233 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC001211290239 1022436442 /nfs/dbraw/zinc/43/64/42/1022436442.db2.gz UXWQCPMPAZKGNV-UHFFFAOYSA-N 1 0 341.411 4.120 20 5 EIBDRO CCC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)nc21)c1cccc([N+](=O)[O-])c1 ZINC000378186488 1022489599 /nfs/dbraw/zinc/48/95/99/1022489599.db2.gz XPKKFKZCPILELX-WMZOPIPTSA-N 1 0 342.443 4.108 20 5 EIBDRO CC[C@H](C)C[N@H+](CC)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000177850398 1022643850 /nfs/dbraw/zinc/64/38/50/1022643850.db2.gz DKVNKPGFKLWGAG-AWEZNQCLSA-N 1 0 331.416 4.160 20 5 EIBDRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000414341886 1022644051 /nfs/dbraw/zinc/64/40/51/1022644051.db2.gz OVHYYJAKDLKNEB-AZOIQLNYSA-N 1 0 326.396 4.058 20 5 EIBDRO CC(C)c1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180427841 1022653807 /nfs/dbraw/zinc/65/38/07/1022653807.db2.gz NCGOPIRGICJIGB-AWEZNQCLSA-N 1 0 341.411 4.008 20 5 EIBDRO CC(C)OC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180441506 1022659687 /nfs/dbraw/zinc/65/96/87/1022659687.db2.gz JJRYPQZITJGIMD-AWEZNQCLSA-N 1 0 342.395 4.011 20 5 EIBDRO CCC[C@H](CCO)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180677665 1022782672 /nfs/dbraw/zinc/78/26/72/1022782672.db2.gz ZLAVGMJSNSBYMW-UZLBHIALSA-N 1 0 342.439 4.073 20 5 EIBDRO COc1cc(Cl)ccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000156822714 1022851192 /nfs/dbraw/zinc/85/11/92/1022851192.db2.gz BVUZXTLGEICWLD-GFCCVEGCSA-N 1 0 334.803 4.416 20 5 EIBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1C ZINC000177006590 1022859298 /nfs/dbraw/zinc/85/92/98/1022859298.db2.gz WKXPGUHWXBCTTO-UHFFFAOYSA-N 1 0 325.368 4.067 20 5 EIBDRO O=C(C[C@@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-])c1cccs1 ZINC000177395748 1022922094 /nfs/dbraw/zinc/92/20/94/1022922094.db2.gz LDRGWLJJDOWEIG-LBPRGKRZSA-N 1 0 348.399 4.033 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC23CCOCC3)s1 ZINC000365828773 1022974915 /nfs/dbraw/zinc/97/49/15/1022974915.db2.gz IIBWWZIPBGXYTD-UHFFFAOYSA-N 1 0 344.436 4.078 20 5 EIBDRO C[C@H](NCc1cnc(CC(F)(F)F)s1)c1ccccc1[N+](=O)[O-] ZINC000893278172 1023044998 /nfs/dbraw/zinc/04/49/98/1023044998.db2.gz BBPVIRWAKSGJBU-VIFPVBQESA-N 1 0 345.346 4.007 20 5 EIBDRO Cc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000189466896 1023058313 /nfs/dbraw/zinc/05/83/13/1023058313.db2.gz RLJFIAXYZSLYQS-YOEHRIQHSA-N 1 0 326.396 4.386 20 5 EIBDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@@H](C)O1 ZINC000414509982 1023245874 /nfs/dbraw/zinc/24/58/74/1023245874.db2.gz CZDHFERHSFTKAL-UMVBOHGHSA-N 1 0 346.452 4.226 20 5 EIBDRO CCOCCC1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417303685 1023248959 /nfs/dbraw/zinc/24/89/59/1023248959.db2.gz ATHPHFFHWHHBKC-SFHVURJKSA-N 1 0 332.444 4.159 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414929684 1023369913 /nfs/dbraw/zinc/36/99/13/1023369913.db2.gz OIESBBZFALPZTL-KUHUBIRLSA-N 1 0 339.439 4.165 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCCc1ccccn1 ZINC000290770488 1023550238 /nfs/dbraw/zinc/55/02/38/1023550238.db2.gz BEMDOMIQVNHXFO-UHFFFAOYSA-N 1 0 340.210 4.019 20 5 EIBDRO C[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000120184546 1023604110 /nfs/dbraw/zinc/60/41/10/1023604110.db2.gz WQHAOPIXUYBQDR-NSHDSACASA-N 1 0 340.301 4.344 20 5 EIBDRO COc1cc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1SC ZINC000123264003 1023615032 /nfs/dbraw/zinc/61/50/32/1023615032.db2.gz WMJHXQUVSZPUHK-CYBMUJFWSA-N 1 0 346.452 4.219 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000178122116 1023655492 /nfs/dbraw/zinc/65/54/92/1023655492.db2.gz UIGFNYVJCDUSOK-YSSFQJQWSA-N 1 0 340.423 4.474 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)c1ncc(C)s1 ZINC000468615706 1023697027 /nfs/dbraw/zinc/69/70/27/1023697027.db2.gz QQYOSOAVWOOOJW-WHGQRRHOSA-N 1 0 331.441 4.156 20 5 EIBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000062726452 1023707862 /nfs/dbraw/zinc/70/78/62/1023707862.db2.gz GKYLQWDLUNSRTP-LBPRGKRZSA-N 1 0 349.228 4.251 20 5 EIBDRO COc1ccccc1C(C)(C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000610538850 1023733529 /nfs/dbraw/zinc/73/35/29/1023733529.db2.gz WAOOOMKOUNMQAB-CQSZACIVSA-N 1 0 328.412 4.232 20 5 EIBDRO COc1ccccc1C(C)(C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000610538849 1023733675 /nfs/dbraw/zinc/73/36/75/1023733675.db2.gz WAOOOMKOUNMQAB-AWEZNQCLSA-N 1 0 328.412 4.232 20 5 EIBDRO CCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1Cl ZINC000566870551 1023865923 /nfs/dbraw/zinc/86/59/23/1023865923.db2.gz XVRDBVYAKFQBHE-UHFFFAOYSA-N 1 0 334.803 4.245 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000121548308 1023897595 /nfs/dbraw/zinc/89/75/95/1023897595.db2.gz IHZVZABJKSBSRI-SOLBZPMBSA-N 1 0 342.439 4.109 20 5 EIBDRO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178309967 1023930365 /nfs/dbraw/zinc/93/03/65/1023930365.db2.gz HNKVVQCMPHFAFM-DMEJVMROSA-N 1 0 344.436 4.294 20 5 EIBDRO CC(=O)Nc1cccc([C@@H](C)NCc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000107904494 1023959310 /nfs/dbraw/zinc/95/93/10/1023959310.db2.gz KURWWECRIKMCRE-LLVKDONJSA-N 1 0 347.802 4.057 20 5 EIBDRO CSCc1cc(F)ccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000124883888 1023977033 /nfs/dbraw/zinc/97/70/33/1023977033.db2.gz FSGFLZWNLBJFHM-LBPRGKRZSA-N 1 0 334.416 4.448 20 5 EIBDRO Cc1ccc(C[C@H](C)[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000610582218 1024134096 /nfs/dbraw/zinc/13/40/96/1024134096.db2.gz KNVRMVZSYZBNHT-AWEZNQCLSA-N 1 0 339.395 4.107 20 5 EIBDRO C[C@H](CCc1c(F)cccc1F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000510728931 1024358673 /nfs/dbraw/zinc/35/86/73/1024358673.db2.gz CCEJLPIGSXDHRR-CYBMUJFWSA-N 1 0 334.366 4.026 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000047937752 1024372443 /nfs/dbraw/zinc/37/24/43/1024372443.db2.gz FHBHOCITOJBPGB-NSHDSACASA-N 1 0 335.201 4.208 20 5 EIBDRO c1[nH]nc2c1C[C@H]([NH2+]Cc1c3ccccc3cc3ccccc31)CC2 ZINC000236751515 1024555378 /nfs/dbraw/zinc/55/53/78/1024555378.db2.gz QMGAQBMJKATTHJ-GOSISDBHSA-N 1 0 327.431 4.363 20 5 EIBDRO COc1cccc(NCc2ccccc2C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000548445463 1024590742 /nfs/dbraw/zinc/59/07/42/1024590742.db2.gz NWXJGBWESULSKL-UHFFFAOYSA-N 1 0 343.427 4.056 20 5 EIBDRO CC(C)C[NH+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)C ZINC000112552700 1024711492 /nfs/dbraw/zinc/71/14/92/1024711492.db2.gz NWEMMWWAGZXJMP-UHFFFAOYSA-N 1 0 345.443 4.406 20 5 EIBDRO COc1ccc(CO)cc1Nc1ccc2cc3ccc(N)cc3[nH+]c2c1 ZINC001211528997 1024847243 /nfs/dbraw/zinc/84/72/43/1024847243.db2.gz ASDHQRVKSSRDQL-UHFFFAOYSA-N 1 0 345.402 4.215 20 5 EIBDRO COc1ccccc1OCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000610810360 1024994162 /nfs/dbraw/zinc/99/41/62/1024994162.db2.gz WQOJZIDVIABHKF-OAHLLOKOSA-N 1 0 344.411 4.032 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000121768694 1025285229 /nfs/dbraw/zinc/28/52/29/1025285229.db2.gz JYCKSYNGSXLUHK-BLLLJJGKSA-N 1 0 328.368 4.125 20 5 EIBDRO COCC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482006845 1025388612 /nfs/dbraw/zinc/38/86/12/1025388612.db2.gz ILXGCXMERNBQBI-STQMWFEESA-N 1 0 334.441 4.399 20 5 EIBDRO CC[C@@H]([NH2+][C@@H]1CCc2cc(F)c(OC)cc21)c1cccc([N+](=O)[O-])c1 ZINC000511001632 1025409316 /nfs/dbraw/zinc/40/93/16/1025409316.db2.gz TZCFCQGAKUDUMD-QZTJIDSGSA-N 1 0 344.386 4.471 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCCOCc1ccccc1 ZINC000519180121 1025560151 /nfs/dbraw/zinc/56/01/51/1025560151.db2.gz JDDDPGCPZPNGGA-IBGZPJMESA-N 1 0 340.423 4.169 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000893621666 1025576994 /nfs/dbraw/zinc/57/69/94/1025576994.db2.gz UWAWUYAUIMKYMC-AEFFLSMTSA-N 1 0 346.814 4.258 20 5 EIBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)[NH+]2CCCC2)o1 ZINC000506752087 1025609850 /nfs/dbraw/zinc/60/98/50/1025609850.db2.gz DYQPRJDTGVIEBN-MRXNPFEDSA-N 1 0 349.818 4.399 20 5 EIBDRO C[N@@H+]1CC[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000432334813 1025648265 /nfs/dbraw/zinc/64/82/65/1025648265.db2.gz KMEAXGYKCRHSSF-PXNSSMCTSA-N 1 0 348.406 4.000 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000539059679 1025779713 /nfs/dbraw/zinc/77/97/13/1025779713.db2.gz DGFOZHHUNYOIAC-BPUTZDHNSA-N 1 0 338.398 4.474 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1OC ZINC000539090458 1025804455 /nfs/dbraw/zinc/80/44/55/1025804455.db2.gz JUSCZPOQSAJGTP-INIZCTEOSA-N 1 0 334.803 4.498 20 5 EIBDRO C[C@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2ccsc2S1 ZINC000344090272 1025990653 /nfs/dbraw/zinc/99/06/53/1025990653.db2.gz LYTSNPAGJLXEAE-FZMZJTMJSA-N 1 0 334.466 4.414 20 5 EIBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C12CCCCC2 ZINC001167538877 1025995613 /nfs/dbraw/zinc/99/56/13/1025995613.db2.gz FZFMBAHHQMXZNR-MOPGFXCFSA-N 1 0 346.471 4.463 20 5 EIBDRO CC1(C)C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]2CCC[C@@H]21 ZINC000550076123 1026016994 /nfs/dbraw/zinc/01/69/94/1026016994.db2.gz KWNOXLWFSJACMW-DLBZAZTESA-N 1 0 341.411 4.260 20 5 EIBDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279127582 1026117417 /nfs/dbraw/zinc/11/74/17/1026117417.db2.gz QTOZUGBSKCEXOZ-ADLMAVQZSA-N 1 0 343.427 4.143 20 5 EIBDRO COCC[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000279219266 1026215086 /nfs/dbraw/zinc/21/50/86/1026215086.db2.gz YVKHHFGCMXJNAV-SJORKVTESA-N 1 0 344.411 4.278 20 5 EIBDRO CC(C)Oc1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511082399 1026242362 /nfs/dbraw/zinc/24/23/62/1026242362.db2.gz RLTKYEMSTSULSP-UHFFFAOYSA-N 1 0 328.412 4.057 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000478235992 1026528805 /nfs/dbraw/zinc/52/88/05/1026528805.db2.gz OHMQWJXFIWNEDD-PWSUYJOCSA-N 1 0 334.313 4.192 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)c1cccs1 ZINC000512245681 1026572900 /nfs/dbraw/zinc/57/29/00/1026572900.db2.gz WDNFXRTUEGJQIZ-UHFFFAOYSA-N 1 0 334.441 4.122 20 5 EIBDRO Cc1cc(N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000507001913 1026573148 /nfs/dbraw/zinc/57/31/48/1026573148.db2.gz MCRDMYKZWBJURT-QAPCUYQASA-N 1 0 325.412 4.151 20 5 EIBDRO C[N@H+](Cc1cccc(-c2ccncc2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000507156144 1026674645 /nfs/dbraw/zinc/67/46/45/1026674645.db2.gz RIQXVAXKQCFNRT-UHFFFAOYSA-N 1 0 333.391 4.289 20 5 EIBDRO CC[C@@H]1C[C@]1([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000500505845 1026804456 /nfs/dbraw/zinc/80/44/56/1026804456.db2.gz ZZGSPJVULOSACC-OXQOHEQNSA-N 1 0 340.423 4.327 20 5 EIBDRO CCOCCC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000479785471 1026879790 /nfs/dbraw/zinc/87/97/90/1026879790.db2.gz ZMNROQYJHZLWGZ-ZDUSSCGKSA-N 1 0 334.441 4.401 20 5 EIBDRO COc1cncc(/C=C/CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000519710264 1026964895 /nfs/dbraw/zinc/96/48/95/1026964895.db2.gz KWWLIIKOEGSXHJ-CSPWOOARSA-N 1 0 341.411 4.061 20 5 EIBDRO COc1cncc(/C=C\CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000519711585 1026965498 /nfs/dbraw/zinc/96/54/98/1026965498.db2.gz KWWLIIKOEGSXHJ-ZDTYVGOBSA-N 1 0 341.411 4.061 20 5 EIBDRO C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178650189 1027090438 /nfs/dbraw/zinc/09/04/38/1027090438.db2.gz XTZLIKFZLFAPLL-ZAAXVRCTSA-N 1 0 340.423 4.413 20 5 EIBDRO COc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1 ZINC000178659478 1027276019 /nfs/dbraw/zinc/27/60/19/1027276019.db2.gz NIEKSUDMUIZNOA-CYBMUJFWSA-N 1 0 337.379 4.002 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000248757867 1027322326 /nfs/dbraw/zinc/32/23/26/1027322326.db2.gz GIXFNWCZVFARBC-QKYXUNIQSA-N 1 0 340.423 4.474 20 5 EIBDRO CC(C)(C)OCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000520221228 1027332117 /nfs/dbraw/zinc/33/21/17/1027332117.db2.gz ZVDLLTMTWHOFQJ-UHFFFAOYSA-N 1 0 334.441 4.228 20 5 EIBDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC001167619969 1027374671 /nfs/dbraw/zinc/37/46/71/1027374671.db2.gz OGKUUKOJQZYGLV-HOCLYGCPSA-N 1 0 328.387 4.187 20 5 EIBDRO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]2CCCC[C@@H]12 ZINC000543907225 1027445045 /nfs/dbraw/zinc/44/50/45/1027445045.db2.gz XNOQVEVQOJNUSC-BVGQSLNGSA-N 1 0 341.411 4.260 20 5 EIBDRO COc1ccc(C[N@@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000441353280 1027473335 /nfs/dbraw/zinc/47/33/35/1027473335.db2.gz YZIQWHZVAXRTHY-DYVFJYSZSA-N 1 0 344.386 4.326 20 5 EIBDRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000896512398 1027519317 /nfs/dbraw/zinc/51/93/17/1027519317.db2.gz PYPVRPMORUYDNB-GFCCVEGCSA-N 1 0 330.432 4.014 20 5 EIBDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000475561913 1027612473 /nfs/dbraw/zinc/61/24/73/1027612473.db2.gz RRIBOENSMQOQKL-IBGZPJMESA-N 1 0 344.411 4.246 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(CCOCc3ccccc3)CC2)c1 ZINC000185718059 1027666411 /nfs/dbraw/zinc/66/64/11/1027666411.db2.gz COHSYVVBWMHNRW-UHFFFAOYSA-N 1 0 340.423 4.072 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1cccc(COC)c1)c1cccc([N+](=O)[O-])c1 ZINC000121423408 1027668549 /nfs/dbraw/zinc/66/85/49/1027668549.db2.gz HAUVKVYHZKFFAF-LJQANCHMSA-N 1 0 328.412 4.372 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000185713871 1027678291 /nfs/dbraw/zinc/67/82/91/1027678291.db2.gz RNUUPFXFVOLTFQ-UHFFFAOYSA-N 1 0 340.423 4.072 20 5 EIBDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000178730698 1027774838 /nfs/dbraw/zinc/77/48/38/1027774838.db2.gz PYMOXRRSSSOMKW-CQSZACIVSA-N 1 0 344.411 4.243 20 5 EIBDRO c1ccc2c(c1)cc(-c1noc([C@H]3[NH2+]C[C@H]4C[C@H]43)n1)c1ccccc21 ZINC001211565706 1027984888 /nfs/dbraw/zinc/98/48/88/1027984888.db2.gz KYVFHTMXWBAKGC-XVSDVWIESA-N 1 0 327.387 4.323 20 5 EIBDRO C/C(=C\c1ccccc1OC(F)F)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000583112684 1028018087 /nfs/dbraw/zinc/01/80/87/1028018087.db2.gz BWEKUTMHXXHJGN-JLHYYAGUSA-N 1 0 348.349 4.389 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000044290039 1028078609 /nfs/dbraw/zinc/07/86/09/1028078609.db2.gz UFQJHRXYTLFRAP-LLVKDONJSA-N 1 0 335.201 4.208 20 5 EIBDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000523442075 1028117561 /nfs/dbraw/zinc/11/75/61/1028117561.db2.gz KDEPVSHEBMZMJP-IAGOWNOFSA-N 1 0 340.423 4.160 20 5 EIBDRO CC(C)Cn1cc[nH+]c1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000508455035 1028193735 /nfs/dbraw/zinc/19/37/35/1028193735.db2.gz XEPLFPORNQHLKU-UHFFFAOYSA-N 1 0 340.383 4.319 20 5 EIBDRO COc1ccc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC000523582853 1028247586 /nfs/dbraw/zinc/24/75/86/1028247586.db2.gz JMPQUSCATGYLNM-OAHLLOKOSA-N 1 0 346.814 4.246 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000268801779 1028274651 /nfs/dbraw/zinc/27/46/51/1028274651.db2.gz KLKRBLBLOZNLDW-GUYCJALGSA-N 1 0 344.411 4.414 20 5 EIBDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000281137726 1028406594 /nfs/dbraw/zinc/40/65/94/1028406594.db2.gz FPBRSZHYJQMTJW-GTNSWQLSSA-N 1 0 330.359 4.081 20 5 EIBDRO CCCC[C@H](COC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000524064990 1028590695 /nfs/dbraw/zinc/59/06/95/1028590695.db2.gz CWCKEXZOPJITJY-OAHLLOKOSA-N 1 0 332.400 4.150 20 5 EIBDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2SC)cc1[N+](=O)[O-] ZINC000281908720 1028935653 /nfs/dbraw/zinc/93/56/53/1028935653.db2.gz GCOIMEWGPSFDNC-GFCCVEGCSA-N 1 0 332.425 4.176 20 5 EIBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1 ZINC000327773344 1029077229 /nfs/dbraw/zinc/07/72/29/1029077229.db2.gz WKKPRSSCHDHCBP-SFHVURJKSA-N 1 0 343.427 4.098 20 5 EIBDRO O=[N+]([O-])c1cnc(Nc2ccc(CC[NH+]3CCCC3)cc2)c(Cl)c1 ZINC000522935036 1029108343 /nfs/dbraw/zinc/10/83/43/1029108343.db2.gz VWNMCCHMXNRYNW-UHFFFAOYSA-N 1 0 346.818 4.025 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000524687898 1029171099 /nfs/dbraw/zinc/17/10/99/1029171099.db2.gz LXRXVJOZUCNRKT-UHFFFAOYSA-N 1 0 341.194 4.070 20 5 EIBDRO C[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000278597321 1029575007 /nfs/dbraw/zinc/57/50/07/1029575007.db2.gz AJZPPMLEVZZTCO-OLZOCXBDSA-N 1 0 334.441 4.135 20 5 EIBDRO CC(C)n1cc([C@H](C)[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000573160205 1029695329 /nfs/dbraw/zinc/69/53/29/1029695329.db2.gz IJNGUCTZWGYSPC-UGSOOPFHSA-N 1 0 342.443 4.445 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)c1cccc(OC)n1 ZINC000925230525 1029974656 /nfs/dbraw/zinc/97/46/56/1029974656.db2.gz NGELUEGKWXKMTI-JKSUJKDBSA-N 1 0 329.400 4.190 20 5 EIBDRO CC[C@@H]([NH2+][C@H](CC)c1cccc(OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000925230520 1029975565 /nfs/dbraw/zinc/97/55/65/1029975565.db2.gz NGELUEGKWXKMTI-HZPDHXFCSA-N 1 0 329.400 4.190 20 5 EIBDRO CC(C)(C)Oc1cc(NC2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000450874249 1030063945 /nfs/dbraw/zinc/06/39/45/1030063945.db2.gz FYXVENHHMSFEPE-UHFFFAOYSA-N 1 0 347.459 4.201 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000525858427 1030079082 /nfs/dbraw/zinc/07/90/82/1030079082.db2.gz QFYKRUUHLSCBDX-SJKOYZFVSA-N 1 0 330.359 4.217 20 5 EIBDRO Cc1c(C[NH2+]Cc2cccc(-c3ccccn3)c2)cccc1[N+](=O)[O-] ZINC000480471356 1030127012 /nfs/dbraw/zinc/12/70/12/1030127012.db2.gz GIDNHGMDXIZXIH-UHFFFAOYSA-N 1 0 333.391 4.255 20 5 EIBDRO CCO[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000447552145 1030134291 /nfs/dbraw/zinc/13/42/91/1030134291.db2.gz MMGDOAQKCNCSBE-WOJBJXKFSA-N 1 0 340.423 4.340 20 5 EIBDRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447535493 1030139512 /nfs/dbraw/zinc/13/95/12/1030139512.db2.gz GOJPXYPDEIOURH-VLIAUNLRSA-N 1 0 340.423 4.289 20 5 EIBDRO Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447585596 1030186424 /nfs/dbraw/zinc/18/64/24/1030186424.db2.gz KTCGFUGGVHHATM-RBUKOAKNSA-N 1 0 338.407 4.312 20 5 EIBDRO CC(C)[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cccnc1 ZINC000447578716 1030206414 /nfs/dbraw/zinc/20/64/14/1030206414.db2.gz GUBTUDKLOBNUJN-PMACEKPBSA-N 1 0 339.439 4.397 20 5 EIBDRO C[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)Oc1ccccc1 ZINC000447579700 1030211078 /nfs/dbraw/zinc/21/10/78/1030211078.db2.gz LNOXUCLVTUODDR-LIRRHRJNSA-N 1 0 326.396 4.029 20 5 EIBDRO COc1cc(C[N@H+]2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000451146788 1030274537 /nfs/dbraw/zinc/27/45/37/1030274537.db2.gz NALIFICDDGZPDZ-LOWVWBTDSA-N 1 0 346.349 4.155 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000526117325 1030290475 /nfs/dbraw/zinc/29/04/75/1030290475.db2.gz PLAPOFXNMSBTOX-IAGOWNOFSA-N 1 0 326.396 4.029 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)cc1 ZINC000451292574 1030379339 /nfs/dbraw/zinc/37/93/39/1030379339.db2.gz BUZQYBJRPPMBFS-ZFWWWQNUSA-N 1 0 330.350 4.238 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2CCC2CCCCC2)cc1 ZINC001168174914 1030665885 /nfs/dbraw/zinc/66/58/85/1030665885.db2.gz JXDWLAPBXKLFOY-UYAOXDASSA-N 1 0 346.471 4.453 20 5 EIBDRO CC1(Nc2cnc3c4ccccc4c4ccccc4c3n2)CC[NH2+]CC1 ZINC001168184318 1030844601 /nfs/dbraw/zinc/84/46/01/1030844601.db2.gz XKAMXZXDOBLFPJ-UHFFFAOYSA-N 1 0 342.446 4.490 20 5 EIBDRO CCCOc1ccc(C(C)(C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000475675343 1030980499 /nfs/dbraw/zinc/98/04/99/1030980499.db2.gz NCZHOSYYGBMMMV-UHFFFAOYSA-N 1 0 328.412 4.409 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000248944603 1031030056 /nfs/dbraw/zinc/03/00/56/1031030056.db2.gz ZBWQQLRIFCHHHK-RIFZZMRRSA-N 1 0 340.423 4.474 20 5 EIBDRO C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000532461708 1031120632 /nfs/dbraw/zinc/12/06/32/1031120632.db2.gz OOXADVGEMJOTSF-UGSOOPFHSA-N 1 0 347.846 4.202 20 5 EIBDRO Cc1cccc2oc(CC[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)nc21 ZINC000410358375 1031251337 /nfs/dbraw/zinc/25/13/37/1031251337.db2.gz IVXASZGRBFITBI-AWEZNQCLSA-N 1 0 339.395 4.246 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000449072481 1031427201 /nfs/dbraw/zinc/42/72/01/1031427201.db2.gz KTBZJVNNCWQYIA-KWCYVHTRSA-N 1 0 330.350 4.237 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccc2ccccc2n1 ZINC000531695149 1031477891 /nfs/dbraw/zinc/47/78/91/1031477891.db2.gz ZWETVOVYTUYMQC-HNNXBMFYSA-N 1 0 335.407 4.345 20 5 EIBDRO Cc1csc([C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000449169748 1031490531 /nfs/dbraw/zinc/49/05/31/1031490531.db2.gz DRPSRCBBDUQACS-BZNIZROVSA-N 1 0 331.441 4.032 20 5 EIBDRO COc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531724914 1031527556 /nfs/dbraw/zinc/52/75/56/1031527556.db2.gz BEGBOELGVXLMJT-LSDHHAIUSA-N 1 0 344.411 4.030 20 5 EIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000449328485 1031622767 /nfs/dbraw/zinc/62/27/67/1031622767.db2.gz JSFLUZMPJITKAP-QKYXUNIQSA-N 1 0 340.423 4.036 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000453147725 1031625846 /nfs/dbraw/zinc/62/58/46/1031625846.db2.gz YQWFZKWZVDZLSA-HNAYVOBHSA-N 1 0 327.428 4.442 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(OCC2CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000449347128 1031643824 /nfs/dbraw/zinc/64/38/24/1031643824.db2.gz FONGCMNEPXNUAH-AWEZNQCLSA-N 1 0 326.396 4.234 20 5 EIBDRO CC(F)(F)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449353415 1031673724 /nfs/dbraw/zinc/67/37/24/1031673724.db2.gz BCSCYGMMFXAVFP-UHFFFAOYSA-N 1 0 326.368 4.458 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCCC3CCOCC3)o2)c1 ZINC000449355216 1031677513 /nfs/dbraw/zinc/67/75/13/1031677513.db2.gz WYOMZPSFMRBMRC-UHFFFAOYSA-N 1 0 344.411 4.151 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cnn(C2CCCC2)c1 ZINC000453235586 1031755706 /nfs/dbraw/zinc/75/57/06/1031755706.db2.gz YFFJKWNOKVVKPL-KBPBESRZSA-N 1 0 328.416 4.318 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cnn(C2CCCC2)c1 ZINC000453235587 1031757010 /nfs/dbraw/zinc/75/70/10/1031757010.db2.gz YFFJKWNOKVVKPL-UONOGXRCSA-N 1 0 328.416 4.318 20 5 EIBDRO C[C@@H](CCCO)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453280269 1031803220 /nfs/dbraw/zinc/80/32/20/1031803220.db2.gz REBFXRWYSNAIEH-KBPBESRZSA-N 1 0 348.468 4.383 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3scnc3C3CC3)C2)cc1 ZINC000449499359 1031808337 /nfs/dbraw/zinc/80/83/37/1031808337.db2.gz LXAZLYQONDEGSM-HNNXBMFYSA-N 1 0 343.452 4.308 20 5 EIBDRO CO[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1(C)C ZINC000449503359 1031812739 /nfs/dbraw/zinc/81/27/39/1031812739.db2.gz TYHOYZMYRSATGK-GOSISDBHSA-N 1 0 344.411 4.102 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H](C)O ZINC000453322177 1031848264 /nfs/dbraw/zinc/84/82/64/1031848264.db2.gz ACVICZKYUZHBAQ-DYEKYZERSA-N 1 0 334.441 4.133 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000453324593 1031851076 /nfs/dbraw/zinc/85/10/76/1031851076.db2.gz UBDNOYFSYVJOTE-CRAIPNDOSA-N 1 0 332.444 4.375 20 5 EIBDRO COc1ccc(C)cc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000531945047 1031855899 /nfs/dbraw/zinc/85/58/99/1031855899.db2.gz HKNJRAIVPVZTQY-OAHLLOKOSA-N 1 0 328.412 4.114 20 5 EIBDRO COc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)cc1[N+](=O)[O-] ZINC000237343890 1032009875 /nfs/dbraw/zinc/00/98/75/1032009875.db2.gz WPFIRJXIKNHIIE-UHFFFAOYSA-N 1 0 344.386 4.302 20 5 EIBDRO CC1(C)C[C@@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000453583734 1032029627 /nfs/dbraw/zinc/02/96/27/1032029627.db2.gz PKSYITXOSJJDBK-AWEZNQCLSA-N 1 0 344.411 4.150 20 5 EIBDRO CC(C)(CO)[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000453581230 1032030885 /nfs/dbraw/zinc/03/08/85/1032030885.db2.gz VKDHKMGSTZMAFZ-AFCDSYGPSA-N 1 0 346.452 4.019 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000532099227 1032042029 /nfs/dbraw/zinc/04/20/29/1032042029.db2.gz KHIYIZYXNQDYEG-DAYGRLMNSA-N 1 0 334.460 4.395 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCSc2ccccc21 ZINC000573624757 1033411105 /nfs/dbraw/zinc/41/11/05/1033411105.db2.gz QJDULAFJGJOTFJ-JKSUJKDBSA-N 1 0 326.421 4.409 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H](C)O ZINC000453322180 1033822417 /nfs/dbraw/zinc/82/24/17/1033822417.db2.gz ACVICZKYUZHBAQ-OBJOEFQTSA-N 1 0 334.441 4.133 20 5 EIBDRO CCc1nc(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cs1 ZINC000433162129 1033953384 /nfs/dbraw/zinc/95/33/84/1033953384.db2.gz LMOQTXFANOZSLI-MRXNPFEDSA-N 1 0 345.468 4.168 20 5 EIBDRO Cc1cnc([C@H](C)C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000433227651 1034072781 /nfs/dbraw/zinc/07/27/81/1034072781.db2.gz LTSBTULSZWPPME-BZNIZROVSA-N 1 0 345.468 4.475 20 5 EIBDRO C[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1nccs1 ZINC000433239762 1034076464 /nfs/dbraw/zinc/07/64/64/1034076464.db2.gz LVKYCIUBROXLIX-XHDPSFHLSA-N 1 0 331.441 4.167 20 5 EIBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000512880366 1034120719 /nfs/dbraw/zinc/12/07/19/1034120719.db2.gz SRLOTRYERTWDPN-FZMZJTMJSA-N 1 0 334.466 4.164 20 5 EIBDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000512896559 1034141291 /nfs/dbraw/zinc/14/12/91/1034141291.db2.gz VUWDCIPDQJSJQQ-HIFRSBDPSA-N 1 0 346.452 4.086 20 5 EIBDRO CCC[C@H](CCO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237026548 1034183317 /nfs/dbraw/zinc/18/33/17/1034183317.db2.gz TYTLOMIFLYTPRK-CQSZACIVSA-N 1 0 348.468 4.212 20 5 EIBDRO CC1(C)C[C@H]([NH2+]CCC[C@@H]2CCCC[C@@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000433293504 1034183804 /nfs/dbraw/zinc/18/38/04/1034183804.db2.gz FNZZTOMXSBBTQZ-JVPBZIDWSA-N 1 0 346.471 4.238 20 5 EIBDRO CC1(C)C[C@H]([NH2+]Cc2ccc3c(c2)COC3)c2cc([N+](=O)[O-])ccc21 ZINC000433294230 1034187906 /nfs/dbraw/zinc/18/79/06/1034187906.db2.gz KLRPWLBLSZIKMH-IBGZPJMESA-N 1 0 338.407 4.137 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@H](c2cccnc2)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433304337 1034198789 /nfs/dbraw/zinc/19/87/89/1034198789.db2.gz MYNHMYUKCSFSQI-OALUTQOASA-N 1 0 337.423 4.453 20 5 EIBDRO C[C@@H]1CCSCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000483428330 1034522893 /nfs/dbraw/zinc/52/28/93/1034522893.db2.gz VNZDEDGRUNLJTH-CYBMUJFWSA-N 1 0 332.425 4.182 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000542707492 1034629429 /nfs/dbraw/zinc/62/94/29/1034629429.db2.gz MOPZZNUPQHLOOH-LBPRGKRZSA-N 1 0 346.814 4.342 20 5 EIBDRO CC(C)C[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)[NH+](C)C ZINC000509915463 1034849852 /nfs/dbraw/zinc/84/98/52/1034849852.db2.gz ZSVCYPXNYAHSSE-QGZVFWFLSA-N 1 0 349.478 4.094 20 5 EIBDRO O=[N+]([O-])c1cc(CN[C@@H]2CCCOc3c(Cl)cccc32)cs1 ZINC000345695092 1035282215 /nfs/dbraw/zinc/28/22/15/1035282215.db2.gz SGWBPOPGZLRWMB-CYBMUJFWSA-N 1 0 338.816 4.313 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595014142 1035505888 /nfs/dbraw/zinc/50/58/88/1035505888.db2.gz LHJJYLZCSSTUFU-OLZOCXBDSA-N 1 0 330.384 4.024 20 5 EIBDRO CCOc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595017896 1035509139 /nfs/dbraw/zinc/50/91/39/1035509139.db2.gz WYPYVHUZVHQHFA-KBPBESRZSA-N 1 0 344.411 4.414 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000594983371 1035516788 /nfs/dbraw/zinc/51/67/88/1035516788.db2.gz KZXBPIBRVCFOJQ-UHFFFAOYSA-N 1 0 340.370 4.051 20 5 EIBDRO CC[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)CC(F)(F)F ZINC000595051224 1035572021 /nfs/dbraw/zinc/57/20/21/1035572021.db2.gz LTUHEHWZFWATFN-QWRGUYRKSA-N 1 0 334.338 4.233 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(OC)c2C)cc1[N+](=O)[O-] ZINC000595107501 1035589340 /nfs/dbraw/zinc/58/93/40/1035589340.db2.gz WOTBWXIOFJYZTG-CQSZACIVSA-N 1 0 344.411 4.161 20 5 EIBDRO C[C@H](O)[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000595105800 1035589791 /nfs/dbraw/zinc/58/97/91/1035589791.db2.gz YTCZTVHHLXTIOQ-BKTGTZMESA-N 1 0 340.423 4.029 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCc3ccc(O)cc32)c2cc([N+](=O)[O-])ccc21 ZINC000595087816 1035590555 /nfs/dbraw/zinc/59/05/55/1035590555.db2.gz DYZQTUGMANWDDR-MOPGFXCFSA-N 1 0 338.407 4.300 20 5 EIBDRO C[C@]1(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000595078729 1035590635 /nfs/dbraw/zinc/59/06/35/1035590635.db2.gz ANUGGGVAGBCTRJ-UNEWFSDZSA-N 1 0 338.398 4.331 20 5 EIBDRO CCC[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cccc([N+](=O)[O-])c1 ZINC000595088639 1035591487 /nfs/dbraw/zinc/59/14/87/1035591487.db2.gz KNLHOGDIBBZNBM-RTBURBONSA-N 1 0 326.396 4.419 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000595097608 1035606256 /nfs/dbraw/zinc/60/62/56/1035606256.db2.gz ZSFLFMOGAJCUCV-YSSFQJQWSA-N 1 0 342.439 4.312 20 5 EIBDRO COc1cccc(SCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000595415762 1035672843 /nfs/dbraw/zinc/67/28/43/1035672843.db2.gz SMIXHNLEFVKLFO-ZDUSSCGKSA-N 1 0 332.425 4.046 20 5 EIBDRO Cc1noc(C[N@@H+]([C@H](C)c2ccccc2)C2CCCC2)c1[N+](=O)[O-] ZINC000595483697 1035680770 /nfs/dbraw/zinc/68/07/70/1035680770.db2.gz UUNWQSBMMCJXQU-CQSZACIVSA-N 1 0 329.400 4.397 20 5 EIBDRO COc1cc(C[NH2+][C@@]2(c3ccccc3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000595908106 1035804895 /nfs/dbraw/zinc/80/48/95/1035804895.db2.gz FUTCWYLYSRNBPQ-LJQANCHMSA-N 1 0 326.396 4.018 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCc3cc(N)ccc32)c2cc([N+](=O)[O-])ccc21 ZINC000596650000 1035958784 /nfs/dbraw/zinc/95/87/84/1035958784.db2.gz FLVRLMRQXYPRHZ-MOPGFXCFSA-N 1 0 337.423 4.177 20 5 EIBDRO COc1ccc(CN(C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c(OC)c1 ZINC000485712782 1036199352 /nfs/dbraw/zinc/19/93/52/1036199352.db2.gz AJTBGFRFVLSOQF-AWEZNQCLSA-N 1 0 344.411 4.113 20 5 EIBDRO COc1cc(CN(Cc2ccc(F)cc2F)C2CC2)ccc1[N+](=O)[O-] ZINC000485744434 1036239937 /nfs/dbraw/zinc/23/99/37/1036239937.db2.gz MZDBZVOJYYRRCJ-UHFFFAOYSA-N 1 0 348.349 4.046 20 5 EIBDRO COc1cc(C[N@H+](Cc2cccc(F)c2)C(C)C)ccc1[N+](=O)[O-] ZINC000485828957 1036293770 /nfs/dbraw/zinc/29/37/70/1036293770.db2.gz ZVVDZUVASHZQHJ-UHFFFAOYSA-N 1 0 332.375 4.153 20 5 EIBDRO COc1ccccc1C[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000237205108 1036317593 /nfs/dbraw/zinc/31/75/93/1036317593.db2.gz VPYDLZNNOBTYNJ-HUUCEWRRSA-N 1 0 328.412 4.194 20 5 EIBDRO CCc1ccc([C@@H]([NH2+][C@@H]2CCCSC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000572043370 1036400508 /nfs/dbraw/zinc/40/05/08/1036400508.db2.gz LJHFXFBPEHACBO-KDOFPFPSSA-N 1 0 346.452 4.325 20 5 EIBDRO CCc1ccc([C@H]([NH2+][C@H]2CCCSC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000572043368 1036401316 /nfs/dbraw/zinc/40/13/16/1036401316.db2.gz LJHFXFBPEHACBO-KBXCAEBGSA-N 1 0 346.452 4.325 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCSc2ccc(F)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293735221 1036416988 /nfs/dbraw/zinc/41/69/88/1036416988.db2.gz NEPALPPUOCRXFJ-BONVTDFDSA-N 1 0 347.415 4.204 20 5 EIBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)cc1 ZINC000060862705 1036580956 /nfs/dbraw/zinc/58/09/56/1036580956.db2.gz GSSJVIKEMHRMRI-IBGZPJMESA-N 1 0 325.412 4.152 20 5 EIBDRO Cn1cc(C[NH2+][C@H](c2cccc(Cl)c2)C2CCCC2)c([N+](=O)[O-])n1 ZINC000602805435 1036628060 /nfs/dbraw/zinc/62/80/60/1036628060.db2.gz NAEYCQNXAZUZMM-INIZCTEOSA-N 1 0 348.834 4.003 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602888765 1036659771 /nfs/dbraw/zinc/65/97/71/1036659771.db2.gz RCUBUGXLDQZFBA-WMLDXEAASA-N 1 0 348.406 4.089 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]1(C)OCCc2sccc21 ZINC000589349729 1036758844 /nfs/dbraw/zinc/75/88/44/1036758844.db2.gz UTBDTCMGFSQOLF-FZKQIMNGSA-N 1 0 346.452 4.103 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000486709080 1036822420 /nfs/dbraw/zinc/82/24/20/1036822420.db2.gz GYTGSDKMZQFFQG-QGZVFWFLSA-N 1 0 327.359 4.456 20 5 EIBDRO Cc1cc(NCc2ccc3ccccc3n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000589564655 1036837800 /nfs/dbraw/zinc/83/78/00/1036837800.db2.gz NQMQOSZLFOYBGM-UHFFFAOYSA-N 1 0 344.374 4.034 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)CCC2 ZINC000599067448 1036867751 /nfs/dbraw/zinc/86/77/51/1036867751.db2.gz DQPCXDNITLIGKP-UYAOXDASSA-N 1 0 337.423 4.498 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000599068826 1036867799 /nfs/dbraw/zinc/86/77/99/1036867799.db2.gz PWOJKVITTIFWJU-AUUYWEPGSA-N 1 0 325.412 4.490 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccn2)C2CCC2)cc1[N+](=O)[O-] ZINC000599067379 1036868698 /nfs/dbraw/zinc/86/86/98/1036868698.db2.gz VLKIMEDOBMHPED-IFXJQAMLSA-N 1 0 325.412 4.490 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC4(CC4(F)F)CC3)o2)c1 ZINC000593674218 1036872265 /nfs/dbraw/zinc/87/22/65/1036872265.db2.gz VOUSMUUDLFRKJX-UHFFFAOYSA-N 1 0 348.349 4.476 20 5 EIBDRO COc1ccc([C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)cn1 ZINC000599094826 1036877008 /nfs/dbraw/zinc/87/70/08/1036877008.db2.gz YXWDCGHMCJNDGT-YJYMSZOUSA-N 1 0 341.411 4.109 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@]4(CC4(F)F)C3)o2)cc1 ZINC000593695247 1036901038 /nfs/dbraw/zinc/90/10/38/1036901038.db2.gz ISQVKTZOXUCOKH-INIZCTEOSA-N 1 0 334.322 4.086 20 5 EIBDRO CC(C)O[C@H](C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000589988560 1036924596 /nfs/dbraw/zinc/92/45/96/1036924596.db2.gz OJMONFKOILAXLO-HXUWFJFHSA-N 1 0 340.423 4.119 20 5 EIBDRO Cc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccc1Br ZINC000231883879 1037011913 /nfs/dbraw/zinc/01/19/13/1037011913.db2.gz CBVXUWSTYBIDOY-UHFFFAOYSA-N 1 0 349.228 4.264 20 5 EIBDRO CCOc1c(Cl)cccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000487203009 1037036576 /nfs/dbraw/zinc/03/65/76/1037036576.db2.gz RPHHSNCYMRSESH-UHFFFAOYSA-N 1 0 334.803 4.245 20 5 EIBDRO Cc1ccccc1[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000603856936 1037052329 /nfs/dbraw/zinc/05/23/29/1037052329.db2.gz GDBUJQQFKQMRFZ-QGZVFWFLSA-N 1 0 326.396 4.119 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCC(OC(F)F)CC1 ZINC000590780201 1037163954 /nfs/dbraw/zinc/16/39/54/1037163954.db2.gz ZMNIYYUGLKLUBA-DCBWTQNWSA-N 1 0 328.359 4.104 20 5 EIBDRO C[C@@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000591348040 1037390320 /nfs/dbraw/zinc/39/03/20/1037390320.db2.gz YBQYHSUYVFRNLX-IFXJQAMLSA-N 1 0 325.412 4.151 20 5 EIBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521435 1037399789 /nfs/dbraw/zinc/39/97/89/1037399789.db2.gz JVDCBKYWVGOWGK-WMZOPIPTSA-N 1 0 346.452 4.256 20 5 EIBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(OC)cc1 ZINC000604492943 1037407811 /nfs/dbraw/zinc/40/78/11/1037407811.db2.gz DCBIFBHHORZXNL-UHFFFAOYSA-N 1 0 328.412 4.058 20 5 EIBDRO CC(C)c1ccc(C[NH2+]CCc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000604532658 1037430958 /nfs/dbraw/zinc/43/09/58/1037430958.db2.gz LSRCVWSDCGMGFS-UHFFFAOYSA-N 1 0 334.366 4.329 20 5 EIBDRO CCCCOc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000058092806 1037483935 /nfs/dbraw/zinc/48/39/35/1037483935.db2.gz VIVRQPCUBYMPCF-UHFFFAOYSA-N 1 0 328.412 4.106 20 5 EIBDRO CSCc1cc(F)ccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000167104652 1037731146 /nfs/dbraw/zinc/73/11/46/1037731146.db2.gz NHCHCAQHBBOMKH-GFCCVEGCSA-N 1 0 334.416 4.448 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592157785 1037766035 /nfs/dbraw/zinc/76/60/35/1037766035.db2.gz MRKDSAOXNALKMG-AWEZNQCLSA-N 1 0 348.443 4.100 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000593055632 1037913545 /nfs/dbraw/zinc/91/35/45/1037913545.db2.gz XORMNBFDYLQKMN-SNVBAGLBSA-N 1 0 332.297 4.022 20 5 EIBDRO COc1ccc([C@H]2C[C@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)C2)cc1F ZINC000503896589 1037965760 /nfs/dbraw/zinc/96/57/60/1037965760.db2.gz ZKVPJILLMZFLMS-RCBQFDQVSA-N 1 0 344.386 4.339 20 5 EIBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000503936594 1038024450 /nfs/dbraw/zinc/02/44/50/1038024450.db2.gz HSMWARJPQVMBJU-RBSFLKMASA-N 1 0 340.370 4.067 20 5 EIBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000592520033 1038139056 /nfs/dbraw/zinc/13/90/56/1038139056.db2.gz CFYMKWNBKHIJEF-KRWDZBQOSA-N 1 0 325.412 4.103 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1cccc([N+](=O)[O-])c1 ZINC000423429320 1038233111 /nfs/dbraw/zinc/23/31/11/1038233111.db2.gz SJYJTVXBPDDXLF-SJKOYZFVSA-N 1 0 341.411 4.130 20 5 EIBDRO COc1cc(C[NH2+][C@H](c2ccccc2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000490003583 1038299695 /nfs/dbraw/zinc/29/96/95/1038299695.db2.gz JWENLUKWBULNJC-GOSISDBHSA-N 1 0 328.412 4.480 20 5 EIBDRO COc1ccc([C@@H]2CC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000504519954 1038392759 /nfs/dbraw/zinc/39/27/59/1038392759.db2.gz BHJUEKPURFIZGB-WMLDXEAASA-N 1 0 326.396 4.154 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000574832717 1038434201 /nfs/dbraw/zinc/43/42/01/1038434201.db2.gz IDJKHEDNJGWLQV-UGSOOPFHSA-N 1 0 348.830 4.331 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(Cl)c1 ZINC000424286901 1038766437 /nfs/dbraw/zinc/76/64/37/1038766437.db2.gz WXTTYTWEQXCPTQ-GFCCVEGCSA-N 1 0 334.803 4.416 20 5 EIBDRO CSCCCCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000480770460 1038808076 /nfs/dbraw/zinc/80/80/76/1038808076.db2.gz KROZMELAKUPZEI-RDJZCZTQSA-N 1 0 336.501 4.429 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)Oc2ccccc2)cc1[N+](=O)[O-] ZINC000539082694 1038829610 /nfs/dbraw/zinc/82/96/10/1038829610.db2.gz CQTTUSCPFWTFAF-GJZGRUSLSA-N 1 0 344.411 4.112 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC1CC([NH+]2CCCCC2)C1 ZINC000480836118 1038841495 /nfs/dbraw/zinc/84/14/95/1038841495.db2.gz GTQYIOIONAKXCW-UHFFFAOYSA-N 1 0 343.349 4.042 20 5 EIBDRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000192807737 1038870554 /nfs/dbraw/zinc/87/05/54/1038870554.db2.gz RCTLDHARQPURSU-QWHCGFSZSA-N 1 0 332.375 4.463 20 5 EIBDRO COc1cccc(CCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000539379109 1039034694 /nfs/dbraw/zinc/03/46/94/1039034694.db2.gz NHWGYKRHXXATTK-OAHLLOKOSA-N 1 0 328.412 4.195 20 5 EIBDRO CC[C@H]1CCCCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000537635905 1039363617 /nfs/dbraw/zinc/36/36/17/1039363617.db2.gz FKCZTCWDVCSZEE-KRWDZBQOSA-N 1 0 342.443 4.150 20 5 EIBDRO CCCC[C@H](CC)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000514088772 1039589261 /nfs/dbraw/zinc/58/92/61/1039589261.db2.gz MRZSOEYWNMUHIG-YJBOKZPZSA-N 1 0 344.459 4.224 20 5 EIBDRO CO[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000514137005 1039663355 /nfs/dbraw/zinc/66/33/55/1039663355.db2.gz CCGNEURZYMLNLS-YVEFUNNKSA-N 1 0 334.803 4.287 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)c1 ZINC000534828079 1039806430 /nfs/dbraw/zinc/80/64/30/1039806430.db2.gz MNRHTLYXDWMZAK-UHFFFAOYSA-N 1 0 332.350 4.432 20 5 EIBDRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534857158 1039826413 /nfs/dbraw/zinc/82/64/13/1039826413.db2.gz JPKSKYINVDVVRG-KRWDZBQOSA-N 1 0 329.400 4.260 20 5 EIBDRO C[C@@]12CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]1C2(F)F ZINC000430104254 1039836219 /nfs/dbraw/zinc/83/62/19/1039836219.db2.gz LTYMPDVCQPUQTP-DLBZAZTESA-N 1 0 348.349 4.332 20 5 EIBDRO NC1(c2nc(-c3cc4ccccc4c4ccccc34)no2)CC(F)C1 ZINC001212121483 1039853456 /nfs/dbraw/zinc/85/34/56/1039853456.db2.gz CKKPKEXKMRVIQI-UHFFFAOYSA-N 1 0 333.366 4.329 20 5 EIBDRO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000551006313 1039868629 /nfs/dbraw/zinc/86/86/29/1039868629.db2.gz PLMZWKMOUKSCFZ-VYDXJSESSA-N 1 0 348.443 4.148 20 5 EIBDRO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000481956233 1039911732 /nfs/dbraw/zinc/91/17/32/1039911732.db2.gz CCQJMWHOJHZFOJ-YJBOKZPZSA-N 1 0 345.443 4.230 20 5 EIBDRO COc1ccc(CC[C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000481958556 1039912854 /nfs/dbraw/zinc/91/28/54/1039912854.db2.gz SOJBKODKPHEUST-LSDHHAIUSA-N 1 0 328.412 4.275 20 5 EIBDRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)N(C)C)cc1 ZINC000481964121 1039927809 /nfs/dbraw/zinc/92/78/09/1039927809.db2.gz ZPJVHIXDLRNKOX-OXQOHEQNSA-N 1 0 341.455 4.165 20 5 EIBDRO C[C@H](NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000476825395 1039952839 /nfs/dbraw/zinc/95/28/39/1039952839.db2.gz REWZBOZWGUHSIV-HNNXBMFYSA-N 1 0 331.460 4.043 20 5 EIBDRO COc1ccccc1C1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000482121474 1040033663 /nfs/dbraw/zinc/03/36/63/1040033663.db2.gz CYEOFMQNJGVHGN-OAHLLOKOSA-N 1 0 340.423 4.294 20 5 EIBDRO COc1ccsc1[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000514754546 1040207754 /nfs/dbraw/zinc/20/77/54/1040207754.db2.gz XBXKWCGFMFOGII-LLVKDONJSA-N 1 0 345.424 4.040 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000593055278 1040224329 /nfs/dbraw/zinc/22/43/29/1040224329.db2.gz SCQUXFVZJBAHGJ-LLVKDONJSA-N 1 0 346.324 4.331 20 5 EIBDRO CCCC[C@H](C)[N@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000514831660 1040278386 /nfs/dbraw/zinc/27/83/86/1040278386.db2.gz PSXMGNMZYHJVBH-NSHDSACASA-N 1 0 346.374 4.215 20 5 EIBDRO C/C(=C\c1ccccc1)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000515010511 1040429584 /nfs/dbraw/zinc/42/95/84/1040429584.db2.gz QZSUHGKXOXQIGE-RVDMUPIBSA-N 1 0 335.407 4.312 20 5 EIBDRO CC(C)(C)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000482704244 1040441825 /nfs/dbraw/zinc/44/18/25/1040441825.db2.gz INMABELOZKECJU-SFHVURJKSA-N 1 0 338.411 4.348 20 5 EIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CCC(C)C)C(C)(C)C ZINC000539490428 1040477252 /nfs/dbraw/zinc/47/72/52/1040477252.db2.gz AZQXJPCGEPJPPQ-MRXNPFEDSA-N 1 0 349.475 4.282 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCCc1c[nH]c2ccccc12 ZINC000539503185 1040481405 /nfs/dbraw/zinc/48/14/05/1040481405.db2.gz HTBFQAZPVXPEOM-YVMONPNESA-N 1 0 335.407 4.312 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435744689 1040598688 /nfs/dbraw/zinc/59/86/88/1040598688.db2.gz GTFXKCOEHDHWJS-CZIWCDLHSA-N 1 0 344.386 4.168 20 5 EIBDRO C[C@H](NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000482955520 1040602240 /nfs/dbraw/zinc/60/22/40/1040602240.db2.gz ZZAYZEOSRTVQAB-HOTGVXAUSA-N 1 0 341.455 4.375 20 5 EIBDRO Cc1csc(CCCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000160677327 1040662291 /nfs/dbraw/zinc/66/22/91/1040662291.db2.gz QXNNLMAXVRKDHV-CQSZACIVSA-N 1 0 333.457 4.342 20 5 EIBDRO Cc1csc(CCCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000160677191 1040662617 /nfs/dbraw/zinc/66/26/17/1040662617.db2.gz QXNNLMAXVRKDHV-AWEZNQCLSA-N 1 0 333.457 4.342 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]CCC2CC2)ccc1Oc1ccc(F)cc1 ZINC000462733554 1040877926 /nfs/dbraw/zinc/87/79/26/1040877926.db2.gz IZCVODPINKBPDW-UHFFFAOYSA-N 1 0 330.359 4.416 20 5 EIBDRO CC(C)c1ccc(C[NH2+]C[C@H](C)Oc2ccccc2F)cc1[N+](=O)[O-] ZINC000462741943 1040878122 /nfs/dbraw/zinc/87/81/22/1040878122.db2.gz USQLFUIILUKDQI-AWEZNQCLSA-N 1 0 346.402 4.414 20 5 EIBDRO CC[C@@H]([NH2+]C[C@@H](C)Oc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000483631870 1040922886 /nfs/dbraw/zinc/92/28/86/1040922886.db2.gz CJAWPTLDBLAOBX-AUUYWEPGSA-N 1 0 344.411 4.112 20 5 EIBDRO COC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000537984194 1040956617 /nfs/dbraw/zinc/95/66/17/1040956617.db2.gz LLLVSZIWUCDATH-KSSFIOAISA-N 1 0 346.402 4.032 20 5 EIBDRO COC[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000537984192 1040958303 /nfs/dbraw/zinc/95/83/03/1040958303.db2.gz LLLVSZIWUCDATH-KBXCAEBGSA-N 1 0 346.402 4.032 20 5 EIBDRO Cc1ccsc1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000538115168 1041069258 /nfs/dbraw/zinc/06/92/58/1041069258.db2.gz ZWCXLGFBKSWUAS-MRXNPFEDSA-N 1 0 330.453 4.118 20 5 EIBDRO CC(C)[N@H+](C)CC(=O)N(C)Cc1c2ccccc2cc2ccccc21 ZINC001142586999 1041162281 /nfs/dbraw/zinc/16/22/81/1041162281.db2.gz YJTIXALNAFWYPU-UHFFFAOYSA-N 1 0 334.463 4.292 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C)[C@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540152373 1041201527 /nfs/dbraw/zinc/20/15/27/1041201527.db2.gz ZPOPYTQUEMSOHH-UIAACRFSSA-N 1 0 342.439 4.018 20 5 EIBDRO CCC[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000540153793 1041202416 /nfs/dbraw/zinc/20/24/16/1041202416.db2.gz ISRUPALSVZMNDD-UXHICEINSA-N 1 0 339.439 4.212 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000484310116 1041203965 /nfs/dbraw/zinc/20/39/65/1041203965.db2.gz PHQXAQLSBFEEPK-CJNGLKHVSA-N 1 0 345.830 4.178 20 5 EIBDRO COc1cccc(C[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000540173395 1041219780 /nfs/dbraw/zinc/21/97/80/1041219780.db2.gz DKWVWQLENARAKM-DZGCQCFKSA-N 1 0 328.412 4.194 20 5 EIBDRO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000538276950 1041235970 /nfs/dbraw/zinc/23/59/70/1041235970.db2.gz VGAMLWDMYMCXSS-KRWDZBQOSA-N 1 0 328.412 4.480 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000538419715 1041320415 /nfs/dbraw/zinc/32/04/15/1041320415.db2.gz XIPYNXONVARECF-HYXAFXHYSA-N 1 0 345.402 4.460 20 5 EIBDRO C[C@@H](Nc1cccc(CC[N@H+](C)C2CC2)c1)c1ccccc1[N+](=O)[O-] ZINC000540337976 1041380749 /nfs/dbraw/zinc/38/07/49/1041380749.db2.gz NKPMZZNOWKBXOQ-OAHLLOKOSA-N 1 0 339.439 4.405 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1ccccc1[N+](=O)[O-] ZINC000540394497 1041427479 /nfs/dbraw/zinc/42/74/79/1041427479.db2.gz UCZNYMVNPZBVLU-UONOGXRCSA-N 1 0 342.395 4.168 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000554846314 1041445127 /nfs/dbraw/zinc/44/51/27/1041445127.db2.gz SFANKRGVSMWMRH-HNNXBMFYSA-N 1 0 342.361 4.192 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505875181 1041457184 /nfs/dbraw/zinc/45/71/84/1041457184.db2.gz STBZYPJRBOGAES-SJORKVTESA-N 1 0 340.423 4.365 20 5 EIBDRO CC(C)(C)Oc1cc(NC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000484823719 1041457565 /nfs/dbraw/zinc/45/75/65/1041457565.db2.gz UOCVBWKLINXAJG-UHFFFAOYSA-N 1 0 347.459 4.058 20 5 EIBDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)OC ZINC000516217103 1041466539 /nfs/dbraw/zinc/46/65/39/1041466539.db2.gz CODWUYXQGPAZPN-OLZOCXBDSA-N 1 0 334.441 4.399 20 5 EIBDRO CC(C)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])Oc1ccccc1 ZINC000540599820 1041554018 /nfs/dbraw/zinc/55/40/18/1041554018.db2.gz ZKSGYDDPQPIQQD-NTMALXAHSA-N 1 0 326.396 4.055 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463443939 1041569580 /nfs/dbraw/zinc/56/95/80/1041569580.db2.gz QBHDRWOMJYECLG-KGLIPLIRSA-N 1 0 346.349 4.156 20 5 EIBDRO C[C@H]([NH2+]C1(CNc2ncc([N+](=O)[O-])s2)CCCC1)c1ccccc1 ZINC000443496370 1041865868 /nfs/dbraw/zinc/86/58/68/1041865868.db2.gz BEPMKAWFQHVWND-ZDUSSCGKSA-N 1 0 346.456 4.127 20 5 EIBDRO Cn1cc(C[N@H+](C)C2CCCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506141349 1041928222 /nfs/dbraw/zinc/92/82/22/1041928222.db2.gz UXIWWCISUOVQOA-UHFFFAOYSA-N 1 0 342.443 4.150 20 5 EIBDRO C[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000541557316 1042012503 /nfs/dbraw/zinc/01/25/03/1042012503.db2.gz DMOUOXQMZZYLOX-KGLIPLIRSA-N 1 0 346.452 4.401 20 5 EIBDRO COc1cc(C[NH2+][C@H](c2cccs2)C2CC2)c([N+](=O)[O-])cc1F ZINC000464488406 1042035718 /nfs/dbraw/zinc/03/57/18/1042035718.db2.gz AZIXOOKBQORPNS-INIZCTEOSA-N 1 0 336.388 4.045 20 5 EIBDRO COc1cc(C[NH2+][C@@]2(C)CCCc3ccccc32)c([N+](=O)[O-])cc1F ZINC000464498729 1042040874 /nfs/dbraw/zinc/04/08/74/1042040874.db2.gz QFGOGTWXRBCDBZ-IBGZPJMESA-N 1 0 344.386 4.084 20 5 EIBDRO COc1cc(C[NH2+][C@@H](C)[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000464496347 1042048880 /nfs/dbraw/zinc/04/88/80/1042048880.db2.gz VLOKUGKAANVYGX-STQMWFEESA-N 1 0 332.375 4.024 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000541755135 1042094179 /nfs/dbraw/zinc/09/41/79/1042094179.db2.gz JETOYFFYBHSESH-QGZVFWFLSA-N 1 0 344.386 4.434 20 5 EIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCSC1 ZINC000506235573 1042182606 /nfs/dbraw/zinc/18/26/06/1042182606.db2.gz WLRLTQVQGXMZTD-AWEZNQCLSA-N 1 0 334.466 4.261 20 5 EIBDRO COc1ccc([C@H](C)[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000506325967 1042314940 /nfs/dbraw/zinc/31/49/40/1042314940.db2.gz OIYWPMHFIYRGIH-VFADXPBXSA-N 1 0 326.396 4.310 20 5 EIBDRO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CC=CCC1 ZINC000542249347 1042360169 /nfs/dbraw/zinc/36/01/69/1042360169.db2.gz MQMRWFHTRJHUSB-AWEZNQCLSA-N 1 0 327.384 4.038 20 5 EIBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000509554945 1042364138 /nfs/dbraw/zinc/36/41/38/1042364138.db2.gz HYRFGWYQTAKLEN-XMELGKRDSA-N 1 0 326.396 4.397 20 5 EIBDRO CCc1nc2c(s1)[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])CCC2 ZINC000271841584 1042436086 /nfs/dbraw/zinc/43/60/86/1042436086.db2.gz VZVHUQVGAUHWCY-YPMHNXCESA-N 1 0 331.441 4.342 20 5 EIBDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000426307462 1042546499 /nfs/dbraw/zinc/54/64/99/1042546499.db2.gz REAZJCOSJKKMKU-MAUKXSAKSA-N 1 0 343.402 4.054 20 5 EIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc(F)ccc1F ZINC000518607749 1042586151 /nfs/dbraw/zinc/58/61/51/1042586151.db2.gz MWZINODBFWKFMW-LLVKDONJSA-N 1 0 345.349 4.248 20 5 EIBDRO CC(C)([NH2+]Cc1cccc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000492272835 1042600045 /nfs/dbraw/zinc/60/00/45/1042600045.db2.gz JUHWDLQYGZBHPI-UHFFFAOYSA-N 1 0 349.228 4.382 20 5 EIBDRO CSc1ccc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000439468515 1042641099 /nfs/dbraw/zinc/64/10/99/1042641099.db2.gz LDSQVYHFIISBFM-CYBMUJFWSA-N 1 0 332.425 4.046 20 5 EIBDRO CCOc1cc(C[NH2+][C@H](C)c2cc(C)cc(C)c2)ccc1[N+](=O)[O-] ZINC000492609401 1042704849 /nfs/dbraw/zinc/70/48/49/1042704849.db2.gz TYBBIQDUILACKJ-OAHLLOKOSA-N 1 0 328.412 4.461 20 5 EIBDRO COc1cc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000492754468 1042741737 /nfs/dbraw/zinc/74/17/37/1042741737.db2.gz AXMMIIQOQNFHHQ-UHFFFAOYSA-N 1 0 332.787 4.036 20 5 EIBDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000536397185 1042834901 /nfs/dbraw/zinc/83/49/01/1042834901.db2.gz NHBNBOFFKMWYEM-ZIAGYGMSSA-N 1 0 346.452 4.228 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc(Cl)s2)cc1Cl ZINC000761520325 1042875010 /nfs/dbraw/zinc/87/50/10/1042875010.db2.gz AMBKCBJLZVVLBT-UHFFFAOYSA-N 1 0 331.224 4.295 20 5 EIBDRO COc1ccc([C@H]2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000441535013 1042878693 /nfs/dbraw/zinc/87/86/93/1042878693.db2.gz OKBOXZCWPPBQGD-HOCLYGCPSA-N 1 0 326.396 4.154 20 5 EIBDRO CCOC[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000473997088 1042919737 /nfs/dbraw/zinc/91/97/37/1042919737.db2.gz STAWCNUQKJFKGK-QGZVFWFLSA-N 1 0 332.400 4.006 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3ccccc3)cs2)c1 ZINC000113312805 1043262858 /nfs/dbraw/zinc/26/28/58/1043262858.db2.gz IFPHUYNLBOKGMX-UHFFFAOYSA-N 1 0 339.420 4.051 20 5 EIBDRO Cc1c(C[NH2+][C@@H]2CCSc3c(F)cccc32)cccc1[N+](=O)[O-] ZINC000323079550 1043266240 /nfs/dbraw/zinc/26/62/40/1043266240.db2.gz SWGHJGWKZVNWKZ-OAHLLOKOSA-N 1 0 332.400 4.369 20 5 EIBDRO CC1(C)CC[C@H](C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)O1 ZINC000427978120 1043284763 /nfs/dbraw/zinc/28/47/63/1043284763.db2.gz BHTJGOGBWQCWOB-MOPGFXCFSA-N 1 0 340.423 4.231 20 5 EIBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](CC2CC2)c2ccccc2)c1 ZINC001168751684 1043309578 /nfs/dbraw/zinc/30/95/78/1043309578.db2.gz XQCPDLIRGAAUJC-IBGZPJMESA-N 1 0 326.396 4.105 20 5 EIBDRO CCCC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000609193950 1043444800 /nfs/dbraw/zinc/44/48/00/1043444800.db2.gz MOWPDBTWHYEGMP-UHFFFAOYSA-N 1 0 329.400 4.057 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C(C)(C)O1 ZINC000494523235 1043551749 /nfs/dbraw/zinc/55/17/49/1043551749.db2.gz GURKLDNKDNSPTE-CYBMUJFWSA-N 1 0 346.349 4.049 20 5 EIBDRO Cc1c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)cccc1[N+](=O)[O-] ZINC000438993674 1043742107 /nfs/dbraw/zinc/74/21/07/1043742107.db2.gz ACUJEQHOLGEVQH-IXMYUCAJSA-N 1 0 346.471 4.055 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]CCCNc2ccccc2F)cccc1[N+](=O)[O-] ZINC000542488447 1043800960 /nfs/dbraw/zinc/80/09/60/1043800960.db2.gz GKKFDXLGYLIFTG-CQSZACIVSA-N 1 0 331.391 4.195 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000172855225 1043830777 /nfs/dbraw/zinc/83/07/77/1043830777.db2.gz FXDZFCBBFVHZQY-LSDHHAIUSA-N 1 0 336.395 4.192 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC[C@@H]1OC ZINC000442817071 1043854512 /nfs/dbraw/zinc/85/45/12/1043854512.db2.gz YHAINJVYSWHBHO-DZKIICNBSA-N 1 0 338.473 4.013 20 5 EIBDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000494638723 1043868363 /nfs/dbraw/zinc/86/83/63/1043868363.db2.gz WIYKQJGTIAUHKQ-VCBZYWHSSA-N 1 0 328.412 4.330 20 5 EIBDRO Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000521643733 1043873470 /nfs/dbraw/zinc/87/34/70/1043873470.db2.gz MMIYDWMMNTZAAQ-GOSISDBHSA-N 1 0 325.412 4.064 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)cc1[N+](=O)[O-] ZINC000442878739 1043879618 /nfs/dbraw/zinc/87/96/18/1043879618.db2.gz UOXCROHUZPSFTJ-ZFWWWQNUSA-N 1 0 335.407 4.203 20 5 EIBDRO C[C@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173317700 1043891168 /nfs/dbraw/zinc/89/11/68/1043891168.db2.gz PJRZTAMRKYNQFJ-AWEZNQCLSA-N 1 0 341.411 4.162 20 5 EIBDRO C[C@@H]([NH2+]CCc1nc(C(C)(C)C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000173394296 1043941379 /nfs/dbraw/zinc/94/13/79/1043941379.db2.gz WZMYHYQHELTLNK-GFCCVEGCSA-N 1 0 333.457 4.242 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCOC2CCCC2)s1 ZINC000521831425 1044000716 /nfs/dbraw/zinc/00/07/16/1044000716.db2.gz SHBVRDCCYLOYAO-UHFFFAOYSA-N 1 0 346.452 4.372 20 5 EIBDRO CCC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])CC(C)C ZINC000521819645 1044011141 /nfs/dbraw/zinc/01/11/41/1044011141.db2.gz DNTJVWQNZODOMI-UHFFFAOYSA-N 1 0 346.374 4.073 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000522053131 1044182198 /nfs/dbraw/zinc/18/21/98/1044182198.db2.gz HDUXJRFIVIGECX-ZDUSSCGKSA-N 1 0 341.386 4.417 20 5 EIBDRO CC[C@](C)([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000173947319 1044200163 /nfs/dbraw/zinc/20/01/63/1044200163.db2.gz VKDLACUHFVNHRE-KRWDZBQOSA-N 1 0 349.456 4.044 20 5 EIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCc3ccccc32)c1 ZINC000522063187 1044204792 /nfs/dbraw/zinc/20/47/92/1044204792.db2.gz PLAKSOPFKRIGFU-CYBMUJFWSA-N 1 0 348.349 4.016 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H]4CCC[C@H]43)co2)cc1 ZINC000245918249 1044212288 /nfs/dbraw/zinc/21/22/88/1044212288.db2.gz SHHYSXSLWGOPJG-CXAGYDPISA-N 1 0 327.384 4.014 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000246061824 1044230682 /nfs/dbraw/zinc/23/06/82/1044230682.db2.gz RHOPVCBVFMAQFE-IGNZVWTISA-N 1 0 346.814 4.429 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(c2cccc(C)c2)CCCC1 ZINC000733794512 1044309919 /nfs/dbraw/zinc/30/99/19/1044309919.db2.gz KZAYGNCFOBNYDV-UHFFFAOYSA-N 1 0 340.423 4.471 20 5 EIBDRO Cc1ccsc1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000522197273 1044371297 /nfs/dbraw/zinc/37/12/97/1044371297.db2.gz YUEURCLZUGTFFJ-UHFFFAOYSA-N 1 0 345.449 4.378 20 5 EIBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@@H](COc2ccccc2)C1 ZINC000494823339 1044396483 /nfs/dbraw/zinc/39/64/83/1044396483.db2.gz MHDOUZMYYHPJOL-CQSZACIVSA-N 1 0 346.814 4.149 20 5 EIBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)Oc1ccccc1 ZINC000734161765 1044505989 /nfs/dbraw/zinc/50/59/89/1044505989.db2.gz YXFKTHUIWJZHLP-UHFFFAOYSA-N 1 0 334.803 4.195 20 5 EIBDRO O=[N+]([O-])c1ccsc1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000301977712 1044529553 /nfs/dbraw/zinc/52/95/53/1044529553.db2.gz DQPBUZVHADUVQQ-GFCCVEGCSA-N 1 0 337.470 4.042 20 5 EIBDRO C[C@H](C1CCCCC1)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000282351751 1044532167 /nfs/dbraw/zinc/53/21/67/1044532167.db2.gz CQSUOKCJUDJULR-CYBMUJFWSA-N 1 0 344.415 4.045 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)c1 ZINC000466475828 1044580765 /nfs/dbraw/zinc/58/07/65/1044580765.db2.gz WDLOBNFJFCYCRI-UHFFFAOYSA-N 1 0 334.778 4.423 20 5 EIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)CC3 ZINC000495007261 1044590833 /nfs/dbraw/zinc/59/08/33/1044590833.db2.gz IOTXTHSSAATSBS-INIZCTEOSA-N 1 0 349.434 4.074 20 5 EIBDRO Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000734509530 1044593323 /nfs/dbraw/zinc/59/33/23/1044593323.db2.gz QPVZXDQGGVDQBA-FQEVSTJZSA-N 1 0 340.423 4.161 20 5 EIBDRO C[C@H]([N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1(C)CC1 ZINC000091900262 1044717214 /nfs/dbraw/zinc/71/72/14/1044717214.db2.gz GPURONKJNLGFIY-LBPRGKRZSA-N 1 0 331.441 4.339 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2OC)cc1[N+](=O)[O-] ZINC000154228063 1044743148 /nfs/dbraw/zinc/74/31/48/1044743148.db2.gz NPEJGRFMTUDQSI-CQSZACIVSA-N 1 0 344.411 4.161 20 5 EIBDRO COc1ccc([C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)cc1 ZINC000735490931 1044823345 /nfs/dbraw/zinc/82/33/45/1044823345.db2.gz WADYKRHVKKPNNT-AWEZNQCLSA-N 1 0 346.814 4.246 20 5 EIBDRO CC(C)([NH2+]C[C@@H]1CCC2(CCCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000429259320 1044858301 /nfs/dbraw/zinc/85/83/01/1044858301.db2.gz XFCAGQNORYSZIT-HNNXBMFYSA-N 1 0 332.444 4.301 20 5 EIBDRO Cc1csc([C@@H](C)C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000193282637 1044862786 /nfs/dbraw/zinc/86/27/86/1044862786.db2.gz FVKDCGSQYNMKFS-MEDUHNTESA-N 1 0 331.441 4.130 20 5 EIBDRO CC(C)O[C@@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000428967244 1044918203 /nfs/dbraw/zinc/91/82/03/1044918203.db2.gz MBUJIKYTQFIKJF-FQEVSTJZSA-N 1 0 342.439 4.235 20 5 EIBDRO COCC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000495403811 1045063118 /nfs/dbraw/zinc/06/31/18/1045063118.db2.gz WVFJIORMPPCNDX-YOEHRIQHSA-N 1 0 346.427 4.185 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000495419874 1045089640 /nfs/dbraw/zinc/08/96/40/1045089640.db2.gz CYURBEKNYVPQNP-MRXNPFEDSA-N 1 0 346.814 4.294 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000302737049 1045194918 /nfs/dbraw/zinc/19/49/18/1045194918.db2.gz FUBGWQSATDDTAI-ZDUSSCGKSA-N 1 0 334.803 4.320 20 5 EIBDRO CC1CC[NH+](CCCCNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000301068049 1045240152 /nfs/dbraw/zinc/24/01/52/1045240152.db2.gz CZLFKIQMHLBAJN-UHFFFAOYSA-N 1 0 342.443 4.067 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](c4ccco4)C3)o2)cc1 ZINC000611271268 1045271844 /nfs/dbraw/zinc/27/18/44/1045271844.db2.gz GBQKKWVBQJCFAW-HNNXBMFYSA-N 1 0 338.363 4.437 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@H](c4ccco4)C3)o2)c1 ZINC000611271316 1045272255 /nfs/dbraw/zinc/27/22/55/1045272255.db2.gz PNPYNGGAGISSHQ-OAHLLOKOSA-N 1 0 338.363 4.437 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cnccc2C)cc1[N+](=O)[O-] ZINC000611299979 1045277651 /nfs/dbraw/zinc/27/76/51/1045277651.db2.gz WQAQYKLSGXFCML-UONOGXRCSA-N 1 0 329.400 4.109 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000611392287 1045297807 /nfs/dbraw/zinc/29/78/07/1045297807.db2.gz PTHXYBVMIGOROE-ORAYPTAESA-N 1 0 326.396 4.017 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)C(C)(C)O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000611470315 1045314165 /nfs/dbraw/zinc/31/41/65/1045314165.db2.gz XMMZUJLPJVYFGU-VXGBXAGGSA-N 1 0 334.441 4.133 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCCCO1 ZINC000611471799 1045315927 /nfs/dbraw/zinc/31/59/27/1045315927.db2.gz NWNGHYAAIZVEMW-CXAGYDPISA-N 1 0 346.452 4.371 20 5 EIBDRO C[C@@H](C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000611519889 1045319009 /nfs/dbraw/zinc/31/90/09/1045319009.db2.gz XRHOSIDJZAKAKU-HRAATJIYSA-N 1 0 347.418 4.473 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000153334799 1045515425 /nfs/dbraw/zinc/51/54/25/1045515425.db2.gz SYIFSHJQNHPEDB-YVEFUNNKSA-N 1 0 344.386 4.471 20 5 EIBDRO COCc1cc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1OC ZINC000193902311 1045541161 /nfs/dbraw/zinc/54/11/61/1045541161.db2.gz AMGQNHSCFJOKEM-KBPBESRZSA-N 1 0 344.411 4.162 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]C2(c3ccccc3)CCOCC2)ccc1Cl ZINC000742372580 1045657779 /nfs/dbraw/zinc/65/77/79/1045657779.db2.gz DTYBXHYUAPBZEE-UHFFFAOYSA-N 1 0 346.814 4.044 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000609234832 1045726898 /nfs/dbraw/zinc/72/68/98/1045726898.db2.gz RDAUOARGMIVXME-FZMZJTMJSA-N 1 0 332.404 4.120 20 5 EIBDRO COCC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccc(C)o1 ZINC000272648913 1045731136 /nfs/dbraw/zinc/73/11/36/1045731136.db2.gz PKDYNSKYKLWIBG-YOEHRIQHSA-N 1 0 332.400 4.233 20 5 EIBDRO COc1ccc(C[N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1C ZINC000768541727 1045817579 /nfs/dbraw/zinc/81/75/79/1045817579.db2.gz KZCRGERIMJYAMW-UHFFFAOYSA-N 1 0 334.803 4.197 20 5 EIBDRO COc1ccc([C@H]2CC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)cc1 ZINC000768541513 1045818529 /nfs/dbraw/zinc/81/85/29/1045818529.db2.gz IGJJYZXNAMYPLC-HNNXBMFYSA-N 1 0 346.814 4.246 20 5 EIBDRO OC[C@H]1CC[N@H+](Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC000769238568 1045898863 /nfs/dbraw/zinc/89/88/63/1045898863.db2.gz DIQUMRQDQBNXKE-AWEZNQCLSA-N 1 0 325.839 4.461 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccccc2C)c([N+](=O)[O-])c1 ZINC001170306248 1045979511 /nfs/dbraw/zinc/97/95/11/1045979511.db2.gz TWYUUBSRQGSRIQ-GJZGRUSLSA-N 1 0 328.412 4.194 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccccc2F)c([N+](=O)[O-])c1 ZINC001170297756 1045982393 /nfs/dbraw/zinc/98/23/93/1045982393.db2.gz RLNMCISOJKJRNN-QWHCGFSZSA-N 1 0 332.375 4.024 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCc3cc(C)ccc32)c([N+](=O)[O-])c1 ZINC001170304305 1045985438 /nfs/dbraw/zinc/98/54/38/1045985438.db2.gz BFZZDQRWEYYEPI-IFXJQAMLSA-N 1 0 340.423 4.120 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC001170312140 1045994299 /nfs/dbraw/zinc/99/42/99/1045994299.db2.gz CXURSSADBZWCIQ-BLLLJJGKSA-N 1 0 332.400 4.177 20 5 EIBDRO CCc1ccc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000792876536 1046087576 /nfs/dbraw/zinc/08/75/76/1046087576.db2.gz NZEYLFMECNRZLB-UHFFFAOYSA-N 1 0 343.383 4.090 20 5 EIBDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1c3ccccc3cc3ccccc31)CCO2 ZINC000793230983 1046177584 /nfs/dbraw/zinc/17/75/84/1046177584.db2.gz JADHVZCSERKNQR-SBUREZEXSA-N 1 0 347.458 4.373 20 5 EIBDRO O=[N+]([O-])c1cccc(Br)c1CN(CC1CC1)C1CCC1 ZINC000793393078 1046235945 /nfs/dbraw/zinc/23/59/45/1046235945.db2.gz BLYGQGOUGOHSPJ-UHFFFAOYSA-N 1 0 339.233 4.122 20 5 EIBDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000916837111 1046379499 /nfs/dbraw/zinc/37/94/99/1046379499.db2.gz XECZEDOQVNIZBF-INIZCTEOSA-N 1 0 334.463 4.387 20 5 EIBDRO C[NH+]1C(C)(C)CC(Nc2ccc3ncccc3c2[N+](=O)[O-])CC1(C)C ZINC001170450982 1046497425 /nfs/dbraw/zinc/49/74/25/1046497425.db2.gz GQWXDEDJAQTJIB-UHFFFAOYSA-N 1 0 342.443 4.206 20 5 EIBDRO C[C@H](CCO)[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000772391112 1046630990 /nfs/dbraw/zinc/63/09/90/1046630990.db2.gz VQEFJGKSHWDVLR-CQSZACIVSA-N 1 0 348.830 4.021 20 5 EIBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000459604173 1046806057 /nfs/dbraw/zinc/80/60/57/1046806057.db2.gz BLQSOHIQPXJCSY-KUHUBIRLSA-N 1 0 343.427 4.351 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459630271 1046820270 /nfs/dbraw/zinc/82/02/70/1046820270.db2.gz ASTXUCUNPZGUSX-HOTGVXAUSA-N 1 0 327.428 4.360 20 5 EIBDRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000459642411 1046831408 /nfs/dbraw/zinc/83/14/08/1046831408.db2.gz BPVFNXNTQSRGQR-SJORKVTESA-N 1 0 341.455 4.312 20 5 EIBDRO Cc1nc2c(s1)[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000536875058 1046839399 /nfs/dbraw/zinc/83/93/99/1046839399.db2.gz HIOXPDGWWHOVHR-INIZCTEOSA-N 1 0 345.468 4.350 20 5 EIBDRO CCC[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000536877854 1046840923 /nfs/dbraw/zinc/84/09/23/1046840923.db2.gz UPZDPLVPXJLHDY-SFHVURJKSA-N 1 0 327.428 4.444 20 5 EIBDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cn2ncc3ccc([N+](=O)[O-])cc32)c1 ZINC000917617532 1047027059 /nfs/dbraw/zinc/02/70/59/1047027059.db2.gz JVZZIYXFNANIAW-SFHVURJKSA-N 1 0 336.395 4.048 20 5 EIBDRO CCCCOc1cccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788540849 1047219584 /nfs/dbraw/zinc/21/95/84/1047219584.db2.gz VZNQHIKXTXEABP-CQSZACIVSA-N 1 0 343.427 4.207 20 5 EIBDRO C[C@H]([NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788624903 1047254226 /nfs/dbraw/zinc/25/42/26/1047254226.db2.gz HZLUMRFHAYZYEF-UFYHVXEKSA-N 1 0 343.402 4.290 20 5 EIBDRO C[C@H]([NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788801605 1047307954 /nfs/dbraw/zinc/30/79/54/1047307954.db2.gz BCOATWSWBLRHNT-NUTKFTJISA-N 1 0 343.402 4.303 20 5 EIBDRO C[C@](O)(C[NH2+]Cc1c2ccccc2cc2ccccc21)C(F)(F)F ZINC000760451638 1047377877 /nfs/dbraw/zinc/37/78/77/1047377877.db2.gz OWFNJMYLUVFAEG-SFHVURJKSA-N 1 0 333.353 4.396 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000609287646 1047691936 /nfs/dbraw/zinc/69/19/36/1047691936.db2.gz IDYMPSIMOFMHDT-QZTJIDSGSA-N 1 0 340.423 4.419 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000609287647 1047693122 /nfs/dbraw/zinc/69/31/22/1047693122.db2.gz IDYMPSIMOFMHDT-ROUUACIJSA-N 1 0 340.423 4.419 20 5 EIBDRO Cc1ccc2c(CC[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])c[nH]c2c1 ZINC000237883933 1047764596 /nfs/dbraw/zinc/76/45/96/1047764596.db2.gz PZDBDZFIEWQPDT-GQCTYLIASA-N 1 0 335.407 4.230 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)(F)F ZINC000089513381 1047777518 /nfs/dbraw/zinc/77/75/18/1047777518.db2.gz DYPYREBCDINIDI-NSHDSACASA-N 1 0 340.301 4.344 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CSc3ccccc32)cc1Cl ZINC000824483696 1047874393 /nfs/dbraw/zinc/87/43/93/1047874393.db2.gz SKUKTXVAKGMHSC-GFCCVEGCSA-N 1 0 334.828 4.227 20 5 EIBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC001171058415 1047879683 /nfs/dbraw/zinc/87/96/83/1047879683.db2.gz UHUPNZLAUWWOIF-LSDHHAIUSA-N 1 0 340.851 4.320 20 5 EIBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000919722060 1048029626 /nfs/dbraw/zinc/02/96/26/1048029626.db2.gz SJQAPVPXPQYGKD-UMVBOHGHSA-N 1 0 337.851 4.090 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000815081470 1048325393 /nfs/dbraw/zinc/32/53/93/1048325393.db2.gz FSQAPLFMDPOPAM-VLIAUNLRSA-N 1 0 336.391 4.132 20 5 EIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1ncc([N+](=O)[O-])s1 ZINC000195509031 1048886405 /nfs/dbraw/zinc/88/64/05/1048886405.db2.gz BDDWWICCEJHQEW-CYBMUJFWSA-N 1 0 346.456 4.038 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000772950499 1048888120 /nfs/dbraw/zinc/88/81/20/1048888120.db2.gz IXBUUALFXQMCEX-KRWDZBQOSA-N 1 0 326.396 4.161 20 5 EIBDRO C[C@@H]([NH2+]C1(CNc2cccnc2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000609449104 1049069195 /nfs/dbraw/zinc/06/91/95/1049069195.db2.gz YCQSZYCFYMQIQJ-OAHLLOKOSA-N 1 0 340.427 4.065 20 5 EIBDRO CCC(CC)(CNc1ncccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000609512986 1049124604 /nfs/dbraw/zinc/12/46/04/1049124604.db2.gz ARAYFVLSFQKWDM-OAHLLOKOSA-N 1 0 342.443 4.311 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000806146432 1049162327 /nfs/dbraw/zinc/16/23/27/1049162327.db2.gz AQAVNAKVWGKNFV-SMDDNHRTSA-N 1 0 331.803 4.290 20 5 EIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000609673053 1049262219 /nfs/dbraw/zinc/26/22/19/1049262219.db2.gz LFYOWEFWAMUBGW-UHFFFAOYSA-N 1 0 344.386 4.025 20 5 EIBDRO CC(C)CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000609676939 1049264393 /nfs/dbraw/zinc/26/43/93/1049264393.db2.gz HTQMPTNSFFKGQS-RHSMWYFYSA-N 1 0 349.475 4.362 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000609800733 1049328738 /nfs/dbraw/zinc/32/87/38/1049328738.db2.gz RFBZKFAYRVANDB-KSSFIOAISA-N 1 0 328.437 4.446 20 5 EIBDRO O=[N+]([O-])c1sccc1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064550829 1049338238 /nfs/dbraw/zinc/33/82/38/1049338238.db2.gz WESMGYFWNXUXGZ-LBPRGKRZSA-N 1 0 337.470 4.042 20 5 EIBDRO CSCCC[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000609903947 1049379056 /nfs/dbraw/zinc/37/90/56/1049379056.db2.gz IROXYGPECAUBMI-UHFFFAOYSA-N 1 0 345.468 4.205 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCCC[C@H]2c2ccco2)cc1 ZINC000609916244 1049395433 /nfs/dbraw/zinc/39/54/33/1049395433.db2.gz PPVUCMMKYSRJKB-KRWDZBQOSA-N 1 0 330.384 4.184 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCCC4(CCC4)C3)co2)cc1 ZINC000348177768 1049474193 /nfs/dbraw/zinc/47/41/93/1049474193.db2.gz HNVOEJFKRUZFMG-UHFFFAOYSA-N 1 0 327.384 4.016 20 5 EIBDRO C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000348208026 1049495388 /nfs/dbraw/zinc/49/53/88/1049495388.db2.gz RBUTXOQNUQWDTA-SJKOYZFVSA-N 1 0 334.803 4.023 20 5 EIBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000610091398 1049535182 /nfs/dbraw/zinc/53/51/82/1049535182.db2.gz QJKSUWDVIURUTR-BBRMVZONSA-N 1 0 344.415 4.045 20 5 EIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@H]3C3CCCCC3)CC2)cc1 ZINC000773025860 1049536963 /nfs/dbraw/zinc/53/69/63/1049536963.db2.gz LXENGVOQGMQVBG-VQTJNVASSA-N 1 0 343.471 4.122 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@H](O)c1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000773062180 1049555621 /nfs/dbraw/zinc/55/56/21/1049555621.db2.gz AUQZEMAQZOMISV-MOPGFXCFSA-N 1 0 328.412 4.068 20 5 EIBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](C)[C@H](O)c1ccccc1 ZINC000812850816 1049611947 /nfs/dbraw/zinc/61/19/47/1049611947.db2.gz VTCZMWPHNPFREY-ACJLOTCBSA-N 1 0 348.830 4.192 20 5 EIBDRO CC(C)([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)c1ccccc1[N+](=O)[O-] ZINC000813792283 1049817870 /nfs/dbraw/zinc/81/78/70/1049817870.db2.gz UQWIUFKSTDNONM-UHFFFAOYSA-N 1 0 340.423 4.333 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(O)CCCCC3)s2)cc1 ZINC000238143603 1049883494 /nfs/dbraw/zinc/88/34/94/1049883494.db2.gz ICGOIZZTHLKVPS-UHFFFAOYSA-N 1 0 346.452 4.108 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000247341028 1050021548 /nfs/dbraw/zinc/02/15/48/1050021548.db2.gz GCAUREKPPQTOEH-SJLPKXTDSA-N 1 0 340.423 4.195 20 5 EIBDRO C[NH+](C)CCN(CC1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC001185897911 1050184682 /nfs/dbraw/zinc/18/46/82/1050184682.db2.gz ILKVLYNNFMFAJO-UHFFFAOYSA-N 1 0 339.867 4.197 20 5 EIBDRO [NH3+]Cc1cccc2c1ccn2[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897340 1050202141 /nfs/dbraw/zinc/20/21/41/1050202141.db2.gz ZKYMXGHFTBCXPS-KRWDZBQOSA-N 1 0 335.407 4.128 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCCc1ccc(F)cc1)CC2 ZINC001172899683 1050202828 /nfs/dbraw/zinc/20/28/28/1050202828.db2.gz BTZYCTUYSHIFCU-LJQANCHMSA-N 1 0 342.414 4.204 20 5 EIBDRO COc1cccc([C@H](C)[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172898075 1050202886 /nfs/dbraw/zinc/20/28/86/1050202886.db2.gz GCWDQFWHMADGFI-KSSFIOAISA-N 1 0 340.423 4.202 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc3ccccc3n1)CC2 ZINC001172897953 1050204098 /nfs/dbraw/zinc/20/40/98/1050204098.db2.gz FCKJHMXYXVDSKF-GOSISDBHSA-N 1 0 347.418 4.180 20 5 EIBDRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900557 1050204834 /nfs/dbraw/zinc/20/48/34/1050204834.db2.gz VSXNOHFNGFHGGN-AUUYWEPGSA-N 1 0 342.414 4.202 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1(c3ccc(F)cc3)CC1)CC2 ZINC001172903937 1050205311 /nfs/dbraw/zinc/20/53/11/1050205311.db2.gz UDLOBHJXOBTYJI-SFHVURJKSA-N 1 0 340.398 4.260 20 5 EIBDRO CC(C)c1ncc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)s1 ZINC001172903398 1050205844 /nfs/dbraw/zinc/20/58/44/1050205844.db2.gz QVANAZGTCWRMEG-HNNXBMFYSA-N 1 0 345.468 4.212 20 5 EIBDRO Cn1ccc2ccc(C[NH2+][C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)cc21 ZINC001172906236 1050207044 /nfs/dbraw/zinc/20/70/44/1050207044.db2.gz NEFQPFVJKQKUHR-IBGZPJMESA-N 1 0 349.434 4.124 20 5 EIBDRO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896287 1050231386 /nfs/dbraw/zinc/23/13/86/1050231386.db2.gz DDLGRLIUHOUFFT-UZLBHIALSA-N 1 0 338.451 4.453 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C(C)(C)c2ccccc2)c1F ZINC001173176501 1050335360 /nfs/dbraw/zinc/33/53/60/1050335360.db2.gz JTVLZGVCOMCNDB-ZDUSSCGKSA-N 1 0 346.402 4.198 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccc(C)cc2C)c1F ZINC001173177985 1050335570 /nfs/dbraw/zinc/33/55/70/1050335570.db2.gz ZMHAXVNDSSGDQL-AWEZNQCLSA-N 1 0 346.402 4.080 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)Cc2cccc(C)c2)c1F ZINC001173181634 1050337294 /nfs/dbraw/zinc/33/72/94/1050337294.db2.gz CQJPPZCDDUXDPJ-AWEZNQCLSA-N 1 0 346.402 4.114 20 5 EIBDRO CCC1([NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CCCCC1 ZINC001173191518 1050337394 /nfs/dbraw/zinc/33/73/94/1050337394.db2.gz LWZUMEIDZFYNJF-ZDUSSCGKSA-N 1 0 338.423 4.376 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCC2=CCCCC2)c1F ZINC001173189003 1050338511 /nfs/dbraw/zinc/33/85/11/1050338511.db2.gz MWMWUGXWPGQTRZ-ZDUSSCGKSA-N 1 0 336.407 4.154 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1ccc(Cl)cc1 ZINC001173214838 1050348700 /nfs/dbraw/zinc/34/87/00/1050348700.db2.gz QVLKKQPLUJINRV-AWEZNQCLSA-N 1 0 332.831 4.402 20 5 EIBDRO Cc1ccc2c(CC[NH3+])cn([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)c2c1 ZINC001173219031 1050352322 /nfs/dbraw/zinc/35/23/22/1050352322.db2.gz VGTYGALWCYLYRS-HNNXBMFYSA-N 1 0 337.423 4.163 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(Cl)nc(Cl)c1 ZINC001173219099 1050352860 /nfs/dbraw/zinc/35/28/60/1050352860.db2.gz XCXHOCSCKLRSPO-JTQLQIEISA-N 1 0 340.210 4.017 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC001173220343 1050353136 /nfs/dbraw/zinc/35/31/36/1050353136.db2.gz YMSUNOQPMHGWQJ-UONOGXRCSA-N 1 0 332.831 4.400 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2cccc(F)c2)CCC1 ZINC001173221816 1050355168 /nfs/dbraw/zinc/35/51/68/1050355168.db2.gz QAYIVVVPACBFJD-CQSZACIVSA-N 1 0 328.387 4.334 20 5 EIBDRO COc1cccc(C2([NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC001173221446 1050355246 /nfs/dbraw/zinc/35/52/46/1050355246.db2.gz NGYAMMJOTIVNDM-OAHLLOKOSA-N 1 0 340.423 4.203 20 5 EIBDRO Cc1ccccc1CC1(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173224157 1050355628 /nfs/dbraw/zinc/35/56/28/1050355628.db2.gz MLQXAYRJDQSOQX-QGZVFWFLSA-N 1 0 338.451 4.447 20 5 EIBDRO COc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173225488 1050356435 /nfs/dbraw/zinc/35/64/35/1050356435.db2.gz CMGVGEQBMYWUDM-MGPUTAFESA-N 1 0 340.423 4.372 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001173231777 1050358929 /nfs/dbraw/zinc/35/89/29/1050358929.db2.gz CZQSFLRGAXKIFT-YOEHRIQHSA-N 1 0 328.387 4.154 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnc(Cl)cc1Cl ZINC001173232166 1050359340 /nfs/dbraw/zinc/35/93/40/1050359340.db2.gz DFCSYLABPAKYDS-SNVBAGLBSA-N 1 0 340.210 4.017 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCSCc1ccccc1 ZINC001173232752 1050359422 /nfs/dbraw/zinc/35/94/22/1050359422.db2.gz FXMHJTOGFQYMCZ-HNNXBMFYSA-N 1 0 330.453 4.049 20 5 EIBDRO CC[N@H+](Cc1cccc(OC)c1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173234603 1050361629 /nfs/dbraw/zinc/36/16/29/1050361629.db2.gz SKLGOMUZDQHRQT-HNNXBMFYSA-N 1 0 328.412 4.057 20 5 EIBDRO COc1ccccc1[C@@H](C)[N@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173234205 1050362548 /nfs/dbraw/zinc/36/25/48/1050362548.db2.gz PVJXTSDXYMNHDI-LSDHHAIUSA-N 1 0 328.412 4.227 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C(C)(C)Cc1ccccc1 ZINC001173233821 1050363653 /nfs/dbraw/zinc/36/36/53/1050363653.db2.gz ZFJIDAUKLNTIOH-MRXNPFEDSA-N 1 0 326.440 4.479 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCOc1ccc(Cl)cc1 ZINC001173212909 1050372695 /nfs/dbraw/zinc/37/26/95/1050372695.db2.gz COZCLVFOADCZGU-AWEZNQCLSA-N 1 0 348.830 4.238 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(F)c(Cl)c1F ZINC001173214320 1050373385 /nfs/dbraw/zinc/37/33/85/1050373385.db2.gz AMFFSCDEFSAXFU-SNVBAGLBSA-N 1 0 340.757 4.247 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC001173213700 1050373461 /nfs/dbraw/zinc/37/34/61/1050373461.db2.gz KDUYXVLFZOPDPT-LMWSTFAQSA-N 1 0 330.350 4.237 20 5 EIBDRO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001186906715 1050446505 /nfs/dbraw/zinc/44/65/05/1050446505.db2.gz VTAFWAZYUPOADS-BRWVUGGUSA-N 1 0 339.439 4.083 20 5 EIBDRO C[C@@H](Cc1cccs1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000618798260 1050531476 /nfs/dbraw/zinc/53/14/76/1050531476.db2.gz HZTFYLWPIQPGRD-JTQLQIEISA-N 1 0 344.358 4.396 20 5 EIBDRO C[NH2+]C1(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC001187430593 1050548722 /nfs/dbraw/zinc/54/87/22/1050548722.db2.gz LVGGXVWTJWSMIN-UHFFFAOYSA-N 1 0 332.231 4.236 20 5 EIBDRO CCC[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)OC ZINC001178791002 1050555796 /nfs/dbraw/zinc/55/57/96/1050555796.db2.gz LLIZIJLLKDGQIS-OAHLLOKOSA-N 1 0 334.441 4.228 20 5 EIBDRO C[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000618984988 1050612094 /nfs/dbraw/zinc/61/20/94/1050612094.db2.gz VVFOLPNEHLNDKN-SCLBCKFNSA-N 1 0 325.412 4.106 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CCc2ccccc2)c2ccccn2)c1 ZINC001179365468 1050681567 /nfs/dbraw/zinc/68/15/67/1050681567.db2.gz IZMOCZOFXYCVMP-NRFANRHFSA-N 1 0 347.418 4.454 20 5 EIBDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000093838730 1050705156 /nfs/dbraw/zinc/70/51/56/1050705156.db2.gz IOQULNBTWCDFTJ-CQSZACIVSA-N 1 0 346.452 4.182 20 5 EIBDRO Cc1cc(CC[NH2+]Cc2c3ccccc3cc3ccccc32)nn1C ZINC001179532074 1050711854 /nfs/dbraw/zinc/71/18/54/1050711854.db2.gz TVJTYDOKNQWPKU-UHFFFAOYSA-N 1 0 329.447 4.367 20 5 EIBDRO CC1(C)CO[C@H](CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC001179579678 1050732662 /nfs/dbraw/zinc/73/26/62/1050732662.db2.gz TXJCCXBZGIWPDP-MRXNPFEDSA-N 1 0 344.411 4.150 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@]1(c2ccccc2)CCCO1 ZINC001179650804 1050735032 /nfs/dbraw/zinc/73/50/32/1050735032.db2.gz HMEMLRIANJQQKT-FQEVSTJZSA-N 1 0 340.423 4.007 20 5 EIBDRO Cc1cc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c2c(n1)CCCC2 ZINC001179685234 1050747179 /nfs/dbraw/zinc/74/71/79/1050747179.db2.gz HRXDDQVPKMKEDP-CQSZACIVSA-N 1 0 339.439 4.070 20 5 EIBDRO C[C@H]1CCC[C@H](C)C1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000182715816 1050806027 /nfs/dbraw/zinc/80/60/27/1050806027.db2.gz BZGWDRSRIYSDFF-KBPBESRZSA-N 1 0 343.427 4.207 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC001180311054 1050946960 /nfs/dbraw/zinc/94/69/60/1050946960.db2.gz WUUKPPKIJAFONK-UHFFFAOYSA-N 1 0 340.423 4.419 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2cccc3cnccc32)C2CC2)c1 ZINC000183062826 1050950990 /nfs/dbraw/zinc/95/09/90/1050950990.db2.gz JMWBYDGNBKLMOF-UHFFFAOYSA-N 1 0 333.391 4.308 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001174742485 1051160894 /nfs/dbraw/zinc/16/08/94/1051160894.db2.gz MOWJOZBKUMIJGY-CRAIPNDOSA-N 1 0 326.396 4.118 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000775422604 1051308353 /nfs/dbraw/zinc/30/83/53/1051308353.db2.gz XVZIMRCFMATFNU-KSSFIOAISA-N 1 0 346.814 4.116 20 5 EIBDRO Cc1ccccc1[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000775462782 1051473030 /nfs/dbraw/zinc/47/30/30/1051473030.db2.gz FJPZRSLPQYWPPB-OALUTQOASA-N 1 0 342.439 4.314 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000774411884 1051583211 /nfs/dbraw/zinc/58/32/11/1051583211.db2.gz SOSJGBGAGSZDJM-MSOLQXFVSA-N 1 0 346.814 4.023 20 5 EIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H](C)c1nccs1 ZINC000183928571 1051653202 /nfs/dbraw/zinc/65/32/02/1051653202.db2.gz WXPIJJFOIGYTBC-ZDUSSCGKSA-N 1 0 349.456 4.074 20 5 EIBDRO C[NH+](C)CCCOc1ccc(Nc2ccc(/C=C/[N+](=O)[O-])cc2)cc1 ZINC001175902487 1051837909 /nfs/dbraw/zinc/83/79/09/1051837909.db2.gz MTZZLPDBAKHNHO-WYMLVPIESA-N 1 0 341.411 4.008 20 5 EIBDRO CCCC[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001193081218 1051864327 /nfs/dbraw/zinc/86/43/27/1051864327.db2.gz NJGYBMVIDOOJNJ-DOTOQJQBSA-N 1 0 347.459 4.180 20 5 EIBDRO COc1ccccc1C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC001193251640 1051891745 /nfs/dbraw/zinc/89/17/45/1051891745.db2.gz VMYYEKOILLKVJO-KRWDZBQOSA-N 1 0 346.402 4.099 20 5 EIBDRO C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001183788647 1051898944 /nfs/dbraw/zinc/89/89/44/1051898944.db2.gz MYXAMZXYODMCFZ-GUXCAODWSA-N 1 0 345.487 4.289 20 5 EIBDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C12CCCCC2 ZINC001183788620 1051899190 /nfs/dbraw/zinc/89/91/90/1051899190.db2.gz MPTYFCNZMSPKFT-WBAXXEDZSA-N 1 0 332.444 4.373 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@H]1Cc1ccccc1 ZINC001184340472 1051998484 /nfs/dbraw/zinc/99/84/84/1051998484.db2.gz XAUZXFFWZGDBRL-NSISKUIASA-N 1 0 338.451 4.384 20 5 EIBDRO Cc1ccc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)c(C)c1 ZINC001194074597 1052070682 /nfs/dbraw/zinc/07/06/82/1052070682.db2.gz YBPAJLKYLXTIKO-MRXNPFEDSA-N 1 0 328.387 4.340 20 5 EIBDRO CC[NH+](CC)[C@H](CNc1cc(Cl)ccc1[N+](=O)[O-])CC(C)C ZINC001184740078 1052096651 /nfs/dbraw/zinc/09/66/51/1052096651.db2.gz KRKJHVYUKCZPGE-AWEZNQCLSA-N 1 0 327.856 4.417 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(c3ccc(Cl)cc3)CCC2)cc1 ZINC001194308058 1052125117 /nfs/dbraw/zinc/12/51/17/1052125117.db2.gz XJXJQHGIZDBMKX-UHFFFAOYSA-N 1 0 346.814 4.296 20 5 EIBDRO COc1ccc(OCC[NH2+][C@H]2CCCCC23CCCC3)c([N+](=O)[O-])c1 ZINC001194588593 1052174876 /nfs/dbraw/zinc/17/48/76/1052174876.db2.gz JQGUYKRXWQVZJE-SFHVURJKSA-N 1 0 348.443 4.075 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](CC2CC2)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000774877495 1052237199 /nfs/dbraw/zinc/23/71/99/1052237199.db2.gz YSODLFDNKXBXPI-UHFFFAOYSA-N 1 0 333.388 4.048 20 5 EIBDRO Cc1cc(NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC001185585414 1052267128 /nfs/dbraw/zinc/26/71/28/1052267128.db2.gz ZRNXEXXUHILJRN-QGZVFWFLSA-N 1 0 333.819 4.271 20 5 EIBDRO C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC001168528769 1052639479 /nfs/dbraw/zinc/63/94/79/1052639479.db2.gz GRBKWCAUJQMQPW-CVEARBPZSA-N 1 0 328.412 4.146 20 5 EIBDRO Cc1ccc([C@H]2CCCN2Cc2nc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000083174206 1052844279 /nfs/dbraw/zinc/84/42/79/1052844279.db2.gz UKTXBIYKTWZWCS-CQSZACIVSA-N 1 0 343.408 4.443 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)c1 ZINC000850385369 1053160430 /nfs/dbraw/zinc/16/04/30/1053160430.db2.gz FMMBSNSYYDOGLG-UGSOOPFHSA-N 1 0 345.830 4.144 20 5 EIBDRO Cc1c(CNc2ccc(Cl)c(C[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000864039034 1053179171 /nfs/dbraw/zinc/17/91/71/1053179171.db2.gz JUOSKTBXFQYJFR-UHFFFAOYSA-N 1 0 333.819 4.230 20 5 EIBDRO CC(C)(C)C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC001195064296 1053252542 /nfs/dbraw/zinc/25/25/42/1053252542.db2.gz CMUVBTWMVNPZKG-CQSZACIVSA-N 1 0 347.459 4.070 20 5 EIBDRO CC[C@H](C)C[N@H+](CC)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159434360 1053342001 /nfs/dbraw/zinc/34/20/01/1053342001.db2.gz DHBABMQPLPYEIP-NSHDSACASA-N 1 0 329.238 4.225 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)[C@H](O)c1ccccc1 ZINC000794828039 1053440351 /nfs/dbraw/zinc/44/03/51/1053440351.db2.gz ATDLBDREWZAKED-MOXGXCLJSA-N 1 0 342.439 4.456 20 5 EIBDRO C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(F)c1 ZINC000765361810 1053517045 /nfs/dbraw/zinc/51/70/45/1053517045.db2.gz YHAIMZJUVIDJBL-AUUYWEPGSA-N 1 0 342.414 4.448 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000120649134 1053560041 /nfs/dbraw/zinc/56/00/41/1053560041.db2.gz DIMMOSITEILEFK-VCBZYWHSSA-N 1 0 328.412 4.066 20 5 EIBDRO Cc1ccc([C@@H]2CCCC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776585316 1053561346 /nfs/dbraw/zinc/56/13/46/1053561346.db2.gz VFXFPIHOYBUHLF-PMACEKPBSA-N 1 0 340.423 4.164 20 5 EIBDRO CC(C)(C)[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776586179 1053568185 /nfs/dbraw/zinc/56/81/85/1053568185.db2.gz DBDXSDPCZLWFIM-QZTJIDSGSA-N 1 0 328.412 4.005 20 5 EIBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)cc1[N+](=O)[O-] ZINC000853094588 1053644978 /nfs/dbraw/zinc/64/49/78/1053644978.db2.gz GYGDVFWRLYBDSO-AWEZNQCLSA-N 1 0 326.396 4.079 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000853243184 1053659165 /nfs/dbraw/zinc/65/91/65/1053659165.db2.gz YUMNVSUNXVDJDV-ACJLOTCBSA-N 1 0 338.407 4.258 20 5 EIBDRO CC(C)[C@@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1cccnc1 ZINC000866281718 1053677139 /nfs/dbraw/zinc/67/71/39/1053677139.db2.gz KAQGLYURVDFTKU-RDTXWAMCSA-N 1 0 345.418 4.089 20 5 EIBDRO Cc1ccc2c(ccnc2N2C[C@@H](CC[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001168546897 1053776038 /nfs/dbraw/zinc/77/60/38/1053776038.db2.gz YODVHFCTMKHFBO-CQSZACIVSA-N 1 0 348.406 4.036 20 5 EIBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000866622382 1053810348 /nfs/dbraw/zinc/81/03/48/1053810348.db2.gz MFCLYGBXCAHLNS-RYUDHWBXSA-N 1 0 343.358 4.157 20 5 EIBDRO Cc1cc2cc(C[NH2+][C@@H](C)CCc3ccccc3[N+](=O)[O-])ccc2[nH]1 ZINC000552298289 1053849730 /nfs/dbraw/zinc/84/97/30/1053849730.db2.gz YYVJXJKTPCTKHT-AWEZNQCLSA-N 1 0 337.423 4.495 20 5 EIBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000301311128 1053860069 /nfs/dbraw/zinc/86/00/69/1053860069.db2.gz FXEDTJWTMPZXAB-OAHLLOKOSA-N 1 0 325.412 4.232 20 5 EIBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000301324615 1053861452 /nfs/dbraw/zinc/86/14/52/1053861452.db2.gz XVCDRUYNCAQLFD-OAHLLOKOSA-N 1 0 325.412 4.232 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1C ZINC001198260851 1054102230 /nfs/dbraw/zinc/10/22/30/1054102230.db2.gz SGSXKGCRHFIHOF-GFCCVEGCSA-N 1 0 334.803 4.416 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC001198271600 1054120560 /nfs/dbraw/zinc/12/05/60/1054120560.db2.gz XFYSQXINYZDZFB-BBVFFXRHSA-N 1 0 338.407 4.281 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857066107 1054168844 /nfs/dbraw/zinc/16/88/44/1054168844.db2.gz XJBQFOIUZCTTDH-YPMHNXCESA-N 1 0 331.243 4.089 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000857081934 1054174985 /nfs/dbraw/zinc/17/49/85/1054174985.db2.gz KHLYXEDLFNXZIX-CMPLNLGQSA-N 1 0 347.242 4.228 20 5 EIBDRO Cc1cccc2oc(CC[NH2+][C@@H](C)c3c(F)cccc3[N+](=O)[O-])nc21 ZINC000872038941 1054354204 /nfs/dbraw/zinc/35/42/04/1054354204.db2.gz BSEXXDCPWPDKGK-LBPRGKRZSA-N 1 0 343.358 4.077 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCc1nccs1 ZINC000872045775 1054357982 /nfs/dbraw/zinc/35/79/82/1054357982.db2.gz RLTADXIOMOBITK-LLVKDONJSA-N 1 0 337.470 4.057 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCO[C@@H]1CCCC[C@@H]1C ZINC001199274987 1054372565 /nfs/dbraw/zinc/37/25/65/1054372565.db2.gz AUGJWMRIKXPPLT-PVBCSNIWSA-N 1 0 332.444 4.183 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000872086795 1054382923 /nfs/dbraw/zinc/38/29/23/1054382923.db2.gz ZPPXXYUOWRTLDP-GOPGUHFVSA-N 1 0 344.436 4.146 20 5 EIBDRO COc1cccc2c1CCC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC001199412039 1054406251 /nfs/dbraw/zinc/40/62/51/1054406251.db2.gz FPALKWSEXXZVQX-RHSMWYFYSA-N 1 0 340.423 4.202 20 5 EIBDRO COc1cccc2c1CCC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC001199412043 1054408930 /nfs/dbraw/zinc/40/89/30/1054408930.db2.gz FPALKWSEXXZVQX-YOEHRIQHSA-N 1 0 340.423 4.202 20 5 EIBDRO Cc1c(C[NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000873104259 1054486928 /nfs/dbraw/zinc/48/69/28/1054486928.db2.gz LDWDBBKCFUDOAY-IEBWSBKVSA-N 1 0 344.386 4.052 20 5 EIBDRO C[C@@H]([NH2+]Cc1csc(C(F)(F)F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858563375 1054516312 /nfs/dbraw/zinc/51/63/12/1054516312.db2.gz PGMDZZRDADREQW-MRVPVSSYSA-N 1 0 345.346 4.108 20 5 EIBDRO O=[N+]([O-])c1cc(O)cc(Nc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC001201231204 1054724405 /nfs/dbraw/zinc/72/44/05/1054724405.db2.gz GDNHDDMXRLLUQC-UHFFFAOYSA-N 1 0 341.411 4.072 20 5 EIBDRO C[NH+](C)Cc1cccc(Nc2c(N)c3cccnc3c3ncccc32)c1 ZINC001201403241 1054776286 /nfs/dbraw/zinc/77/62/86/1054776286.db2.gz UMRVMROGLUCOBC-UHFFFAOYSA-N 1 0 343.434 4.170 20 5 EIBDRO CCC(CC)[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1cccs1 ZINC000876978437 1054990550 /nfs/dbraw/zinc/99/05/50/1054990550.db2.gz JYDCUDSARSBILG-KVULBXGLSA-N 1 0 348.472 4.323 20 5 EIBDRO C[C@@H](c1cc2ccccc2o1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776280467 1055154915 /nfs/dbraw/zinc/15/49/15/1055154915.db2.gz ZXWCSKWPLMDGPT-SUMWQHHRSA-N 1 0 340.379 4.067 20 5 EIBDRO Cc1ccc2sc(CN[C@@H](C)c3cccc([N+](=O)[O-])c3)nc2c1 ZINC001168604615 1055207267 /nfs/dbraw/zinc/20/72/67/1055207267.db2.gz QASWEJVANBJTKI-LBPRGKRZSA-N 1 0 327.409 4.364 20 5 EIBDRO Cc1cc(N2CCC(C(F)(F)F)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302208657 1055399952 /nfs/dbraw/zinc/39/99/52/1055399952.db2.gz XUVWYZQCHORILM-UHFFFAOYSA-N 1 0 339.317 4.230 20 5 EIBDRO C[C@@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301508518 1055647314 /nfs/dbraw/zinc/64/73/14/1055647314.db2.gz AQBPSVXDGNISDJ-ZBFHGGJFSA-N 1 0 343.402 4.199 20 5 EIBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000301561588 1055731527 /nfs/dbraw/zinc/73/15/27/1055731527.db2.gz UXKWDNSFYFRHCI-QAPCUYQASA-N 1 0 325.412 4.060 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273464581 1055858134 /nfs/dbraw/zinc/85/81/34/1055858134.db2.gz IGYSAZTWESMPEO-HKUYNNGSSA-N 1 0 344.386 4.052 20 5 EIBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000765848137 1055873126 /nfs/dbraw/zinc/87/31/26/1055873126.db2.gz FTMSOXPXUDZNIH-STQMWFEESA-N 1 0 340.832 4.084 20 5 EIBDRO CC(C)C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000765849847 1055914077 /nfs/dbraw/zinc/91/40/77/1055914077.db2.gz RSKZTPLFMSVLCL-HZPDHXFCSA-N 1 0 334.441 4.067 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000327375252 1056744955 /nfs/dbraw/zinc/74/49/55/1056744955.db2.gz MTJXBPJSCPKBLD-OAHLLOKOSA-N 1 0 335.407 4.345 20 5 EIBDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000741807682 1058377396 /nfs/dbraw/zinc/37/73/96/1058377396.db2.gz JZUGMDZKUYONBQ-RDTXWAMCSA-N 1 0 328.387 4.360 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCC4(C3)CCCCC4)c2)cc1 ZINC000742165354 1058525156 /nfs/dbraw/zinc/52/51/56/1058525156.db2.gz HXJKCMQMUVXUEP-UHFFFAOYSA-N 1 0 340.427 4.072 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccc(C)c(F)c1 ZINC001168794039 1060354439 /nfs/dbraw/zinc/35/44/39/1060354439.db2.gz XYTVFJGXBKWEAP-KRWDZBQOSA-N 1 0 332.375 4.292 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)c2ccc(-c3ccccc3)cc2)c1 ZINC000766474922 1060377490 /nfs/dbraw/zinc/37/74/90/1060377490.db2.gz WLDJRRBYDFGXRT-NRFANRHFSA-N 1 0 348.402 4.085 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2Oc2ccccc2)C1 ZINC001168969935 1060562637 /nfs/dbraw/zinc/56/26/37/1060562637.db2.gz GOAHJUPVQNVFLV-NVXWUHKLSA-N 1 0 326.396 4.014 20 5 EIBDRO CC(C)(Cc1ccc2ccccc2c1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168975524 1060568012 /nfs/dbraw/zinc/56/80/12/1060568012.db2.gz WAECJZYYXXLFRL-VQIMIIECSA-N 1 0 326.440 4.196 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3)CCC(F)(F)CC2)C1 ZINC001168999718 1060571182 /nfs/dbraw/zinc/57/11/82/1060571182.db2.gz UROHCBMKMRCMQW-ZBFHGGJFSA-N 1 0 338.398 4.126 20 5 EIBDRO CC(C)(Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168998124 1060571411 /nfs/dbraw/zinc/57/14/11/1060571411.db2.gz IOBCIOVQZSEMKP-JSGCOSHPSA-N 1 0 344.377 4.062 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2Cl)C1 ZINC001168988363 1060585716 /nfs/dbraw/zinc/58/57/16/1060585716.db2.gz RGWPNHUVHNHZQF-KCJUWKMLSA-N 1 0 337.634 4.182 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(c3ccc4ccccc4c3)CC2)C1 ZINC001169034004 1060590603 /nfs/dbraw/zinc/59/06/03/1060590603.db2.gz FBSKWIUSTIYEEX-HRAATJIYSA-N 1 0 338.451 4.465 20 5 EIBDRO C[N@H+](Cc1cccc(Oc2ccccc2)c1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046669 1060603788 /nfs/dbraw/zinc/60/37/88/1060603788.db2.gz LRWFHQHMNOXXCH-MSOLQXFVSA-N 1 0 340.423 4.356 20 5 EIBDRO CC1(C)C[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@](C)(C[NH3+])C1 ZINC001169136050 1060653174 /nfs/dbraw/zinc/65/31/74/1060653174.db2.gz FDFOITDBYQCLFY-IFXJQAMLSA-N 1 0 342.443 4.099 20 5 EIBDRO CC1(C)C[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C[C@](C)(C[NH3+])C1 ZINC001169136051 1060653946 /nfs/dbraw/zinc/65/39/46/1060653946.db2.gz FDFOITDBYQCLFY-KUHUBIRLSA-N 1 0 342.443 4.099 20 5 EIBDRO CC[C@@H](c1ccncc1)N(C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000130214042 1032345176 /nfs/dbraw/zinc/34/51/76/1032345176.db2.gz VWEMZXGRXOVDRC-SFHVURJKSA-N 1 0 343.427 4.360 20 5 EIBDRO COCC(C)(C)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000430146169 1018862847 /nfs/dbraw/zinc/86/28/47/1018862847.db2.gz GKMKUHSUQHFIEU-UHFFFAOYSA-N 1 0 334.441 4.180 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CC)c2ccncc2)cc1[N+](=O)[O-] ZINC000153965651 1019075103 /nfs/dbraw/zinc/07/51/03/1019075103.db2.gz VKCNXMBTPPKQMI-CZUORRHYSA-N 1 0 329.400 4.190 20 5 EIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)c1cccc(OC)c1 ZINC000430202416 1019261795 /nfs/dbraw/zinc/26/17/95/1019261795.db2.gz COZUQOWUCCLBOZ-AWEZNQCLSA-N 1 0 344.411 4.195 20 5 EIBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000302021719 1019407705 /nfs/dbraw/zinc/40/77/05/1019407705.db2.gz OFLOMVQISDSRPJ-AWEZNQCLSA-N 1 0 337.489 4.137 20 5 EIBDRO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCC[C@@H]1C ZINC000120058477 1019972240 /nfs/dbraw/zinc/97/22/40/1019972240.db2.gz RYZGCZHFJPZFCR-XJKSGUPXSA-N 1 0 344.415 4.045 20 5 EIBDRO CCS[C@@H]1CCCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609705132 1020031118 /nfs/dbraw/zinc/03/11/18/1020031118.db2.gz SCWFOWPLZAHRGY-CQSZACIVSA-N 1 0 328.865 4.356 20 5 EIBDRO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000336877600 1020134768 /nfs/dbraw/zinc/13/47/68/1020134768.db2.gz QYRUDTTYTGVWCU-BFUOFWGJSA-N 1 0 326.396 4.332 20 5 EIBDRO CC[C@H]([NH2+]C[C@H](C[C@H](C)O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000247014415 1020349085 /nfs/dbraw/zinc/34/90/85/1020349085.db2.gz KLRGMCUPXJYAST-QSFXBCCZSA-N 1 0 342.439 4.190 20 5 EIBDRO Cc1ccc([C@@H](C)[N@H+](C)CCOc2ccccc2[N+](=O)[O-])c(C)c1 ZINC001167145846 1020364713 /nfs/dbraw/zinc/36/47/13/1020364713.db2.gz IKJHLJDQCRUQRB-MRXNPFEDSA-N 1 0 328.412 4.283 20 5 EIBDRO C[N@@H+]1CCC[C@@H](CNc2ccsc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000610281326 1020965619 /nfs/dbraw/zinc/96/56/19/1020965619.db2.gz MWHWVYQXOJYLIN-FZMZJTMJSA-N 1 0 337.470 4.213 20 5 EIBDRO COc1ccc(C[N@@H+]2C[C@H](c3ccccc3C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000610001847 1021082738 /nfs/dbraw/zinc/08/27/38/1021082738.db2.gz FSVAOAYWJIJSCN-NVXWUHKLSA-N 1 0 340.423 4.290 20 5 EIBDRO O=[N+]([O-])c1cc(CN2CC3(CCOCC3)[C@H]2c2ccccc2)cs1 ZINC000411997727 1021191905 /nfs/dbraw/zinc/19/19/05/1021191905.db2.gz JGTAKZVIWNOPHG-QGZVFWFLSA-N 1 0 344.436 4.010 20 5 EIBDRO CO[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(C)C ZINC000610395479 1021748053 /nfs/dbraw/zinc/74/80/53/1021748053.db2.gz LTCDRQYZNLMTHQ-MRXNPFEDSA-N 1 0 334.441 4.084 20 5 EIBDRO COc1ccccc1C(C)(C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000610420450 1021851604 /nfs/dbraw/zinc/85/16/04/1021851604.db2.gz KJXKNNPSEWBAPN-AWEZNQCLSA-N 1 0 328.412 4.232 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1cncc(F)c1 ZINC000414133687 1021911835 /nfs/dbraw/zinc/91/18/35/1021911835.db2.gz BVZGYCBFLGDEFA-DEYYWGMASA-N 1 0 343.402 4.191 20 5 EIBDRO Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC001167387871 1021932047 /nfs/dbraw/zinc/93/20/47/1021932047.db2.gz XXMXLANRMJPZQM-QGZVFWFLSA-N 1 0 328.387 4.249 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cncc(F)c1 ZINC000414143021 1021955472 /nfs/dbraw/zinc/95/54/72/1021955472.db2.gz LDCSYQGCVCWRGB-WFASDCNBSA-N 1 0 349.431 4.350 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H](C)CCCc2cccnc2)cccc1[N+](=O)[O-] ZINC000414158743 1021993152 /nfs/dbraw/zinc/99/31/52/1021993152.db2.gz UUQWYUICDQLYKX-ZBFHGGJFSA-N 1 0 327.428 4.360 20 5 EIBDRO COCc1cncc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)c1 ZINC001211080297 1022045723 /nfs/dbraw/zinc/04/57/23/1022045723.db2.gz VNXMKAGGZSADCK-UHFFFAOYSA-N 1 0 330.391 4.255 20 5 EIBDRO COCc1cc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)ccc1F ZINC000468624461 1022047615 /nfs/dbraw/zinc/04/76/15/1022047615.db2.gz AHHHUOPLEWNMTI-RIYZIHGNSA-N 1 0 344.386 4.073 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000540917446 1022190833 /nfs/dbraw/zinc/19/08/33/1022190833.db2.gz UGZSGRGZELLXSS-CQSZACIVSA-N 1 0 343.427 4.326 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)[C@H](c1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000471602966 1022307184 /nfs/dbraw/zinc/30/71/84/1022307184.db2.gz QOQXMGDVLHYBJD-UIAACRFSSA-N 1 0 341.455 4.327 20 5 EIBDRO C[C@@H]1C[C@H](C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000414262825 1022345591 /nfs/dbraw/zinc/34/55/91/1022345591.db2.gz OWRMVJPWHPFUIV-SLGAXEFGSA-N 1 0 340.423 4.087 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CC[C@@H](F)C3)o2)c(Cl)c1 ZINC000579883874 1022548432 /nfs/dbraw/zinc/54/84/32/1022548432.db2.gz BOEINQSLVOEACF-GHMZBOCLSA-N 1 0 338.766 4.488 20 5 EIBDRO C[C@@H]([NH2+]Cc1cc(F)cc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000180453662 1022675705 /nfs/dbraw/zinc/67/57/05/1022675705.db2.gz BAKLIPMZCQYXRH-GFCCVEGCSA-N 1 0 325.343 4.133 20 5 EIBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1Br ZINC000149030589 1022690737 /nfs/dbraw/zinc/69/07/37/1022690737.db2.gz PKNHZTVYODSAFJ-LBPRGKRZSA-N 1 0 349.228 4.251 20 5 EIBDRO CCCOc1ccc(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)cn1 ZINC000156692111 1022722206 /nfs/dbraw/zinc/72/22/06/1022722206.db2.gz JPJVGOKROOKPQR-KRWDZBQOSA-N 1 0 329.400 4.020 20 5 EIBDRO O=[N+]([O-])c1c(F)cccc1NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000311072353 1022862064 /nfs/dbraw/zinc/86/20/64/1022862064.db2.gz ZHNJFJXSRKYTGX-MRXNPFEDSA-N 1 0 343.402 4.058 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@]4(CC=CCC4)C3)nc2c1 ZINC000177076152 1022871038 /nfs/dbraw/zinc/87/10/38/1022871038.db2.gz GLAJJZRAOPIXGE-SFHVURJKSA-N 1 0 327.384 4.058 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(OC(C)(C)C)nc2)cc1[N+](=O)[O-] ZINC000181343358 1022953612 /nfs/dbraw/zinc/95/36/12/1022953612.db2.gz OBTKDYLEYNRWSV-CQSZACIVSA-N 1 0 343.427 4.326 20 5 EIBDRO Cc1ccoc1CN(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549717629 1033100231 /nfs/dbraw/zinc/10/02/31/1033100231.db2.gz HOXUQKCQRKBAJH-UHFFFAOYSA-N 1 0 328.290 4.147 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H]4CCC[C@@H]43)o2)c1 ZINC000072693719 1023026102 /nfs/dbraw/zinc/02/61/02/1023026102.db2.gz OVWDZDQDARQAOM-YOEHRIQHSA-N 1 0 341.411 4.057 20 5 EIBDRO CCOC1CC(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000189252091 1023048189 /nfs/dbraw/zinc/04/81/89/1023048189.db2.gz NIJXNVSGENTIPX-JGJLBUBWSA-N 1 0 346.471 4.101 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cnccc1C(C)(C)C ZINC000584706901 1023219971 /nfs/dbraw/zinc/21/99/71/1023219971.db2.gz ZQDQPMIFNQZXBC-CQSZACIVSA-N 1 0 327.428 4.447 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1COCc3ccccc31)CCCC2 ZINC000417359349 1023284987 /nfs/dbraw/zinc/28/49/87/1023284987.db2.gz IOSFENMBEOZOTA-PMACEKPBSA-N 1 0 338.407 4.223 20 5 EIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccncc1 ZINC000610517698 1023460158 /nfs/dbraw/zinc/46/01/58/1023460158.db2.gz HMHVPKOIPQWJNL-AWEZNQCLSA-N 1 0 337.379 4.143 20 5 EIBDRO CCC[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccnc1 ZINC000581690142 1023607811 /nfs/dbraw/zinc/60/78/11/1023607811.db2.gz XLSIQDAFEKHAIG-SFHVURJKSA-N 1 0 338.411 4.145 20 5 EIBDRO Cc1cc(Br)ccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000395224987 1023721841 /nfs/dbraw/zinc/72/18/41/1023721841.db2.gz NVFFSLNQKLCLHX-UHFFFAOYSA-N 1 0 349.228 4.264 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)c(Cl)c1 ZINC000500427361 1023821468 /nfs/dbraw/zinc/82/14/68/1023821468.db2.gz HVOXXIRSBMFFAO-BBRMVZONSA-N 1 0 345.830 4.459 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430745268 1024003460 /nfs/dbraw/zinc/00/34/60/1024003460.db2.gz WLLODXOJAWIAEE-OLZOCXBDSA-N 1 0 344.427 4.491 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1Cl ZINC000548395591 1024204385 /nfs/dbraw/zinc/20/43/85/1024204385.db2.gz VNCPNPURVWCUGW-GFCCVEGCSA-N 1 0 334.803 4.150 20 5 EIBDRO C[C@@H](c1ccco1)N(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549796582 1033201321 /nfs/dbraw/zinc/20/13/21/1033201321.db2.gz COQMTEAYDYMGOZ-JTQLQIEISA-N 1 0 328.290 4.400 20 5 EIBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000610783472 1024848559 /nfs/dbraw/zinc/84/85/59/1024848559.db2.gz XQRFNNJTNLNFIL-SJCJKPOMSA-N 1 0 334.803 4.287 20 5 EIBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610786820 1024851338 /nfs/dbraw/zinc/85/13/38/1024851338.db2.gz IUVWAZKJFMKGPL-AWEZNQCLSA-N 1 0 337.489 4.137 20 5 EIBDRO CC(C)OC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000535796794 1024954114 /nfs/dbraw/zinc/95/41/14/1024954114.db2.gz QHLLEVKHSCPWIG-UHFFFAOYSA-N 1 0 344.411 4.244 20 5 EIBDRO CC(C)COc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000610804475 1024985604 /nfs/dbraw/zinc/98/56/04/1024985604.db2.gz SDHGJRMPPJUVQK-HNNXBMFYSA-N 1 0 328.412 4.480 20 5 EIBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000065202094 1025150869 /nfs/dbraw/zinc/15/08/69/1025150869.db2.gz DXRGNDFJKXKHGG-INIZCTEOSA-N 1 0 343.402 4.058 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3O)cc1[N+](=O)[O-] ZINC000105487135 1025382657 /nfs/dbraw/zinc/38/26/57/1025382657.db2.gz IIWXRHSJQPLMJK-QGZVFWFLSA-N 1 0 326.396 4.201 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccncc1F ZINC000511002340 1025418193 /nfs/dbraw/zinc/41/81/93/1025418193.db2.gz VGSQHBHLODTOJL-STQMWFEESA-N 1 0 349.431 4.350 20 5 EIBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000342225885 1025505934 /nfs/dbraw/zinc/50/59/34/1025505934.db2.gz DXEPGVZTUMRMDC-INIZCTEOSA-N 1 0 348.834 4.003 20 5 EIBDRO CC[NH+](CC)[C@H](CNc1ncccc1[N+](=O)[O-])c1ccccc1Cl ZINC000024107698 1025643147 /nfs/dbraw/zinc/64/31/47/1025643147.db2.gz LRNPVVPDTZYVMZ-MRXNPFEDSA-N 1 0 348.834 4.138 20 5 EIBDRO C[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)[NH+](C)C ZINC000472080531 1025697828 /nfs/dbraw/zinc/69/78/28/1025697828.db2.gz PZRVMSODWXCACF-ACJLOTCBSA-N 1 0 347.846 4.029 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000539066860 1025788564 /nfs/dbraw/zinc/78/85/64/1025788564.db2.gz WHTDKTCVCHQOME-KSMMKXTCSA-N 1 0 346.402 4.469 20 5 EIBDRO CCCc1ccc([C@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C(C)C)cc1 ZINC000611568033 1025810977 /nfs/dbraw/zinc/81/09/77/1025810977.db2.gz IANCNPKWHUSFDW-LJQANCHMSA-N 1 0 344.459 4.039 20 5 EIBDRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000569935724 1025815245 /nfs/dbraw/zinc/81/52/45/1025815245.db2.gz HDQBGRBFJSXCDH-NIKGAXFTSA-N 1 0 340.423 4.194 20 5 EIBDRO CC[N@H+](C[C@H](O)c1ccc(C)cc1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC001167517882 1025898862 /nfs/dbraw/zinc/89/88/62/1025898862.db2.gz SKVSTZQXNXJRSJ-JXFKEZNVSA-N 1 0 342.439 4.328 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](C)CSc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000472130626 1025907373 /nfs/dbraw/zinc/90/73/73/1025907373.db2.gz PUCZLAUMRIFNCR-AWEZNQCLSA-N 1 0 346.452 4.182 20 5 EIBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C12CCCCC2 ZINC001167535355 1025980281 /nfs/dbraw/zinc/98/02/81/1025980281.db2.gz VGHVNPDQFUZIKA-ZWKOTPCHSA-N 1 0 332.444 4.155 20 5 EIBDRO CC(C)C[NH+](CC(C)C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728896601 1026168932 /nfs/dbraw/zinc/16/89/32/1026168932.db2.gz RBKNGIJIQQASQD-UHFFFAOYSA-N 1 0 330.432 4.030 20 5 EIBDRO CCCN(CC[NH+](C)C)C(=O)c1c2ccccc2cc2ccccc21 ZINC001126321077 1026195536 /nfs/dbraw/zinc/19/55/36/1026195536.db2.gz JOFAPNNZHZJMCS-UHFFFAOYSA-N 1 0 334.463 4.407 20 5 EIBDRO C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000432500535 1026201417 /nfs/dbraw/zinc/20/14/17/1026201417.db2.gz IZAAZAVUJBSPLL-IRXDYDNUSA-N 1 0 339.439 4.162 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000158156016 1026297114 /nfs/dbraw/zinc/29/71/14/1026297114.db2.gz IJAZUMKDXJZRLG-YJLNNSPDSA-N 1 0 326.396 4.166 20 5 EIBDRO COc1cc(C[NH2+][C@@H](C)c2cccc(C)c2C)c([N+](=O)[O-])cc1F ZINC000184308463 1026410906 /nfs/dbraw/zinc/41/09/06/1026410906.db2.gz AVCGZYLXIOACAW-ZDUSSCGKSA-N 1 0 332.375 4.210 20 5 EIBDRO CCC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000120080586 1026464105 /nfs/dbraw/zinc/46/41/05/1026464105.db2.gz PTCSWUPFWJJZBE-INIZCTEOSA-N 1 0 329.356 4.134 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000127481676 1026504141 /nfs/dbraw/zinc/50/41/41/1026504141.db2.gz GZXGGXNHZMEPHC-WBVHZDCISA-N 1 0 332.444 4.436 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000478235990 1026529883 /nfs/dbraw/zinc/52/98/83/1026529883.db2.gz OHMQWJXFIWNEDD-JQWIXIFHSA-N 1 0 334.313 4.192 20 5 EIBDRO C[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178642351 1026976985 /nfs/dbraw/zinc/97/69/85/1026976985.db2.gz FBVWDCRFHBAJAG-OXQOHEQNSA-N 1 0 339.439 4.083 20 5 EIBDRO CC[C@H](O)CC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000128122223 1027088803 /nfs/dbraw/zinc/08/88/03/1027088803.db2.gz BYEHKLYAKDHDQH-OLZOCXBDSA-N 1 0 334.441 4.135 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000544384973 1027374118 /nfs/dbraw/zinc/37/41/18/1027374118.db2.gz GHZLKPAZXGVGRM-QGZVFWFLSA-N 1 0 346.814 4.424 20 5 EIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCC(C(F)(F)F)CC1 ZINC000474727708 1027444296 /nfs/dbraw/zinc/44/42/96/1027444296.db2.gz BMNKSJJAAKPVEB-GRTSSRMGSA-N 1 0 344.377 4.484 20 5 EIBDRO COc1ccc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000441353285 1027472608 /nfs/dbraw/zinc/47/26/08/1027472608.db2.gz YZIQWHZVAXRTHY-SUMWQHHRSA-N 1 0 344.386 4.326 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000441401218 1027523510 /nfs/dbraw/zinc/52/35/10/1027523510.db2.gz XUZQZULIUKAJAR-KZNAEPCWSA-N 1 0 345.487 4.242 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000078968783 1027762991 /nfs/dbraw/zinc/76/29/91/1027762991.db2.gz KKZQCJVWACCDRZ-STQMWFEESA-N 1 0 330.384 4.024 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000052035286 1027805102 /nfs/dbraw/zinc/80/51/02/1027805102.db2.gz GYUGLZVIPIWYMG-GOSISDBHSA-N 1 0 332.375 4.229 20 5 EIBDRO CC[C@@H](c1ccccc1)[N@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444603868 1027885389 /nfs/dbraw/zinc/88/53/89/1027885389.db2.gz YGIGXVJPCWTWEP-SFHVURJKSA-N 1 0 338.411 4.444 20 5 EIBDRO Cc1ccc([C@@H]2CCCN2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444601433 1027886506 /nfs/dbraw/zinc/88/65/06/1027886506.db2.gz ZRLBUNOIZKUHLG-SFHVURJKSA-N 1 0 336.395 4.117 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(Cc3ccccc3F)CC2)cc1F ZINC001167653259 1028044949 /nfs/dbraw/zinc/04/49/49/1028044949.db2.gz KFPPALJHOITQDU-UHFFFAOYSA-N 1 0 346.377 4.328 20 5 EIBDRO COc1ccc(C[N@H+](Cc2ccc(C)c(C)c2)C2CC2)cc1[N+](=O)[O-] ZINC000583173532 1028177604 /nfs/dbraw/zinc/17/76/04/1028177604.db2.gz GINHKKJZRNDPSU-UHFFFAOYSA-N 1 0 340.423 4.385 20 5 EIBDRO CCOc1ccc([C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000523702015 1028325808 /nfs/dbraw/zinc/32/58/08/1028325808.db2.gz SJYSMCBLILHTCD-HXUWFJFHSA-N 1 0 340.423 4.373 20 5 EIBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000524266223 1028834296 /nfs/dbraw/zinc/83/42/96/1028834296.db2.gz ZUXNPJQPLOKEOG-AWEZNQCLSA-N 1 0 342.443 4.065 20 5 EIBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)c1cccc(OC)c1 ZINC000052706385 1029426093 /nfs/dbraw/zinc/42/60/93/1029426093.db2.gz XLASHQUMAIRMOZ-AWEZNQCLSA-N 1 0 344.411 4.195 20 5 EIBDRO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000525123362 1029464890 /nfs/dbraw/zinc/46/48/90/1029464890.db2.gz YVGGZWROPQPRDT-AEFFLSMTSA-N 1 0 340.423 4.099 20 5 EIBDRO COC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(C)C ZINC000525195074 1029517921 /nfs/dbraw/zinc/51/79/21/1029517921.db2.gz LMVFSMRBTXAOIW-INIZCTEOSA-N 1 0 334.441 4.084 20 5 EIBDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000475342883 1029557729 /nfs/dbraw/zinc/55/77/29/1029557729.db2.gz MFXBJURSOVYDGC-GOSISDBHSA-N 1 0 346.452 4.060 20 5 EIBDRO Cc1noc(C)c1[C@H](C)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302077853 1029806314 /nfs/dbraw/zinc/80/63/14/1029806314.db2.gz KDOPUGGKXAEAEU-SNVBAGLBSA-N 1 0 340.383 4.272 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC1CC[NH+](C2CCC2)CC1 ZINC000450873807 1030066720 /nfs/dbraw/zinc/06/67/20/1030066720.db2.gz KWJVSJWDRCDXQO-UHFFFAOYSA-N 1 0 343.349 4.042 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCOc3ccccc31)CCC2 ZINC000447536359 1030142896 /nfs/dbraw/zinc/14/28/96/1030142896.db2.gz MQGXEUSYEQMEPC-HNAYVOBHSA-N 1 0 338.407 4.128 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1(c3ccc(F)cc3)CC1)CCC2 ZINC000447586796 1030187904 /nfs/dbraw/zinc/18/79/04/1030187904.db2.gz OUAYUHDRXUZVTD-SFHVURJKSA-N 1 0 326.371 4.390 20 5 EIBDRO Cc1cc(C[NH+](C)C)cc(N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000447599129 1030219999 /nfs/dbraw/zinc/21/99/99/1030219999.db2.gz WULHVXCYLAOLEE-FQEVSTJZSA-N 1 0 339.439 4.454 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccc(F)c(F)c1 ZINC000526045615 1030227972 /nfs/dbraw/zinc/22/79/72/1030227972.db2.gz JPJIAZSPRKLHOQ-UKTHLTGXSA-N 1 0 332.350 4.109 20 5 EIBDRO COc1cc(C[NH2+][C@@H](C)c2cccc(C3CC3)c2)ccc1[N+](=O)[O-] ZINC000451111159 1030238417 /nfs/dbraw/zinc/23/84/17/1030238417.db2.gz DPHLTTPCVNCHKT-ZDUSSCGKSA-N 1 0 326.396 4.332 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)c1cnn(C2CCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000925232825 1030271773 /nfs/dbraw/zinc/27/17/73/1030271773.db2.gz ZGXLYIBVZRXHIC-ACJLOTCBSA-N 1 0 328.416 4.318 20 5 EIBDRO CCc1ccc([C@H]([NH2+]C[C@@H]2CCSC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000448023137 1030492322 /nfs/dbraw/zinc/49/23/22/1030492322.db2.gz RUBUNLFHZBBYMZ-SCLBCKFNSA-N 1 0 346.452 4.182 20 5 EIBDRO CCc1ccc([C@@H]([NH2+]C[C@@H]2CCSC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000448023138 1030493140 /nfs/dbraw/zinc/49/31/40/1030493140.db2.gz RUBUNLFHZBBYMZ-UGSOOPFHSA-N 1 0 346.452 4.182 20 5 EIBDRO Cc1nc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)sc1C ZINC000451549700 1030568511 /nfs/dbraw/zinc/56/85/11/1030568511.db2.gz QHPOMHLUSXVACP-OAHLLOKOSA-N 1 0 331.441 4.048 20 5 EIBDRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000530974165 1030822549 /nfs/dbraw/zinc/82/25/49/1030822549.db2.gz VYZSZCBYYZDQFX-JSGCOSHPSA-N 1 0 330.350 4.362 20 5 EIBDRO COc1ccc(CN2CCC[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000052455973 1031004376 /nfs/dbraw/zinc/00/43/76/1031004376.db2.gz VPEMLDHEPBHFPW-INIZCTEOSA-N 1 0 330.359 4.080 20 5 EIBDRO COc1ccc(CN2CCC[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000052455971 1031005271 /nfs/dbraw/zinc/00/52/71/1031005271.db2.gz VPEMLDHEPBHFPW-MRXNPFEDSA-N 1 0 330.359 4.080 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000532461703 1031121503 /nfs/dbraw/zinc/12/15/03/1031121503.db2.gz OOXADVGEMJOTSF-ACJLOTCBSA-N 1 0 347.846 4.202 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@H](C)CCc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000532487519 1031219519 /nfs/dbraw/zinc/21/95/19/1031219519.db2.gz IRVJNMAVJFEHDR-UKRRQHHQSA-N 1 0 328.412 4.281 20 5 EIBDRO C[C@@H](C[NH2+]C1CCC2(CCOCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000897463951 1031398153 /nfs/dbraw/zinc/39/81/53/1031398153.db2.gz DFIXSYRCRDZGBI-HNNXBMFYSA-N 1 0 332.444 4.027 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000449099717 1031443235 /nfs/dbraw/zinc/44/32/35/1031443235.db2.gz OWDPSXZPGSSZIW-XPGWFJOJSA-N 1 0 340.423 4.036 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2ccccc2n1 ZINC000531700731 1031484919 /nfs/dbraw/zinc/48/49/19/1031484919.db2.gz QRYSLBPEUQRDST-OAHLLOKOSA-N 1 0 335.407 4.254 20 5 EIBDRO COc1ccc(CCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000531700382 1031485248 /nfs/dbraw/zinc/48/52/48/1031485248.db2.gz DRWMKBFZYDMYRQ-OAHLLOKOSA-N 1 0 328.412 4.195 20 5 EIBDRO COc1ccc2c(c1)CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000612419892 1031501519 /nfs/dbraw/zinc/50/15/19/1031501519.db2.gz YCNJXLOWJGYVCX-KDOFPFPSSA-N 1 0 340.423 4.120 20 5 EIBDRO COc1ccc2c(c1)CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000612419891 1031502068 /nfs/dbraw/zinc/50/20/68/1031502068.db2.gz YCNJXLOWJGYVCX-KBXCAEBGSA-N 1 0 340.423 4.120 20 5 EIBDRO CCC[C@@H]([NH2+]CCOc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000531692928 1031504483 /nfs/dbraw/zinc/50/44/83/1031504483.db2.gz YSNJKPMJQDXEKD-QGZVFWFLSA-N 1 0 344.411 4.113 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000449348646 1031643749 /nfs/dbraw/zinc/64/37/49/1031643749.db2.gz MRFLACZWJNVOIB-QILLFSRXSA-N 1 0 325.412 4.367 20 5 EIBDRO CC(F)(F)CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449351810 1031651077 /nfs/dbraw/zinc/65/10/77/1031651077.db2.gz RTTNOMKCYOBYLF-HIFRSBDPSA-N 1 0 326.387 4.331 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000449436735 1031754591 /nfs/dbraw/zinc/75/45/91/1031754591.db2.gz YBJSJBZFECPYOT-STQMWFEESA-N 1 0 346.349 4.204 20 5 EIBDRO C[C@H](CCCO)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453280272 1031802703 /nfs/dbraw/zinc/80/27/03/1031802703.db2.gz REBFXRWYSNAIEH-ZIAGYGMSSA-N 1 0 348.468 4.383 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCc2ccccc2C1)C1CC1 ZINC000531947700 1031859644 /nfs/dbraw/zinc/85/96/44/1031859644.db2.gz GXJABKWAFMPEAY-VQTJNVASSA-N 1 0 336.435 4.063 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCO[C@H](c2cccs2)C1 ZINC000449629489 1031890092 /nfs/dbraw/zinc/89/00/92/1031890092.db2.gz UFPCJFGKIUIEHC-LBGCYQIYSA-N 1 0 344.436 4.179 20 5 EIBDRO CC(C)(CO)[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000453581882 1032031051 /nfs/dbraw/zinc/03/10/51/1032031051.db2.gz VKDHKMGSTZMAFZ-ZGRWHYIRSA-N 1 0 346.452 4.019 20 5 EIBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC000573639613 1033415578 /nfs/dbraw/zinc/41/55/78/1033415578.db2.gz FCDNJYVFKIGYMF-DYLHUKMJSA-N 1 0 348.406 4.145 20 5 EIBDRO C[NH+](C)[C@@H]1CCOc2c(Nc3c(F)cc([N+](=O)[O-])cc3F)cccc21 ZINC000432921835 1033416576 /nfs/dbraw/zinc/41/65/76/1033416576.db2.gz GYIREGLMBXAJQX-OAHLLOKOSA-N 1 0 349.337 4.002 20 5 EIBDRO Cc1ccc(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c([N+](=O)[O-])c1 ZINC000432923441 1033426982 /nfs/dbraw/zinc/42/69/82/1033426982.db2.gz GAGBMBOKZJOUEW-INIZCTEOSA-N 1 0 327.384 4.032 20 5 EIBDRO COc1cnccc1[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433095173 1033841084 /nfs/dbraw/zinc/84/10/84/1033841084.db2.gz BZVNTRJFHPZLEW-YVEFUNNKSA-N 1 0 341.411 4.072 20 5 EIBDRO CC1(C)C[C@H]([NH2+]C[C@]2(C)CCO[C@H]2C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433238058 1034075711 /nfs/dbraw/zinc/07/57/11/1034075711.db2.gz CVUSXASWTZTSHT-BJLQDIEVSA-N 1 0 344.455 4.112 20 5 EIBDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000512896560 1034139952 /nfs/dbraw/zinc/13/99/52/1034139952.db2.gz VUWDCIPDQJSJQQ-UKRRQHHQSA-N 1 0 346.452 4.086 20 5 EIBDRO Cc1ccsc1[C@@H](CO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433290935 1034184750 /nfs/dbraw/zinc/18/47/50/1034184750.db2.gz UNNLSFRPQQYWMO-HZPDHXFCSA-N 1 0 346.452 4.010 20 5 EIBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000513057581 1034382150 /nfs/dbraw/zinc/38/21/50/1034382150.db2.gz NQCUFQALTIBLGK-YZGWKJHDSA-N 1 0 340.423 4.036 20 5 EIBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000513057578 1034383113 /nfs/dbraw/zinc/38/31/13/1034383113.db2.gz NQCUFQALTIBLGK-DFQSSKMNSA-N 1 0 340.423 4.036 20 5 EIBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000513067258 1034466153 /nfs/dbraw/zinc/46/61/53/1034466153.db2.gz DBAKDXPPIGOOJT-BRWVUGGUSA-N 1 0 346.452 4.097 20 5 EIBDRO CC[NH+](CC)Cc1ccc(CNc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000513109080 1034600656 /nfs/dbraw/zinc/60/06/56/1034600656.db2.gz WCSQWUIJEZWVST-UHFFFAOYSA-N 1 0 331.391 4.188 20 5 EIBDRO CC(C)C[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)[NH+](C)C ZINC000509915462 1034849260 /nfs/dbraw/zinc/84/92/60/1034849260.db2.gz ZSVCYPXNYAHSSE-KRWDZBQOSA-N 1 0 349.478 4.094 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cnc(C4CC4)s3)C2)cc1 ZINC000571629371 1034898102 /nfs/dbraw/zinc/89/81/02/1034898102.db2.gz IHQOGKWBEJDEJB-HNNXBMFYSA-N 1 0 343.452 4.308 20 5 EIBDRO CC(C)Oc1ccc(CC[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000513643634 1035084395 /nfs/dbraw/zinc/08/43/95/1035084395.db2.gz PUYPZNSBHDNWNM-MRXNPFEDSA-N 1 0 342.439 4.493 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCC(F)(F)C3)o2)cc1 ZINC000430038703 1035450106 /nfs/dbraw/zinc/45/01/06/1035450106.db2.gz WVCWROQRGKTOBR-LBPRGKRZSA-N 1 0 336.338 4.380 20 5 EIBDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595020289 1035508861 /nfs/dbraw/zinc/50/88/61/1035508861.db2.gz YLOYLQMAPSPVJJ-OLZOCXBDSA-N 1 0 330.384 4.024 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000595020228 1035508974 /nfs/dbraw/zinc/50/89/74/1035508974.db2.gz WKMXYEBBDDMTSW-FZKQIMNGSA-N 1 0 326.396 4.250 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000595006950 1035531146 /nfs/dbraw/zinc/53/11/46/1035531146.db2.gz NFUXCCUEBHRBQO-FZKQIMNGSA-N 1 0 326.396 4.332 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1csc(C(C)C)n1 ZINC000595040882 1035565151 /nfs/dbraw/zinc/56/51/51/1035565151.db2.gz PIUPYQXHBHYVIK-GFCCVEGCSA-N 1 0 349.456 4.077 20 5 EIBDRO CSCC1(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000595075037 1035591082 /nfs/dbraw/zinc/59/10/82/1035591082.db2.gz XEHCGJSTLSMLRM-INIZCTEOSA-N 1 0 334.485 4.039 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CC1(F)F ZINC000595079553 1035592474 /nfs/dbraw/zinc/59/24/74/1035592474.db2.gz KMHMJQNBBGFMPH-BXUZGUMPSA-N 1 0 330.400 4.100 20 5 EIBDRO CCC[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cccc([N+](=O)[O-])c1 ZINC000595088638 1035593067 /nfs/dbraw/zinc/59/30/67/1035593067.db2.gz KNLHOGDIBBZNBM-RBUKOAKNSA-N 1 0 326.396 4.419 20 5 EIBDRO CC(C)[C@@H](O)[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000595094099 1035606707 /nfs/dbraw/zinc/60/67/07/1035606707.db2.gz CLOFTLMLYWCDEK-ZOCIIQOWSA-N 1 0 328.412 4.004 20 5 EIBDRO Cc1noc(C[N@@H+](C)[C@H]2CCCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595548481 1035703958 /nfs/dbraw/zinc/70/39/58/1035703958.db2.gz SNUMZCUFWUORBN-CVEARBPZSA-N 1 0 329.400 4.049 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000593112473 1035775016 /nfs/dbraw/zinc/77/50/16/1035775016.db2.gz PIWWVIDVBILLRP-UHFFFAOYSA-N 1 0 336.313 4.393 20 5 EIBDRO CCC(CC)CCC[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595828991 1035800884 /nfs/dbraw/zinc/80/08/84/1035800884.db2.gz FZJRHUPUWPNOPD-UHFFFAOYSA-N 1 0 346.431 4.293 20 5 EIBDRO COc1cc(N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000571339622 1036030580 /nfs/dbraw/zinc/03/05/80/1036030580.db2.gz MHTXONVGXOIPRY-AUUYWEPGSA-N 1 0 343.427 4.015 20 5 EIBDRO C[C@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1cccc([N+](=O)[O-])c1 ZINC000593320764 1036180040 /nfs/dbraw/zinc/18/00/40/1036180040.db2.gz GABQBEDHUFQAHJ-YOEHRIQHSA-N 1 0 325.412 4.062 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1OC1CCC1 ZINC000571939401 1036315679 /nfs/dbraw/zinc/31/56/79/1036315679.db2.gz NSXHUHJUDWRPQU-GOSISDBHSA-N 1 0 338.407 4.303 20 5 EIBDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000421392876 1036358435 /nfs/dbraw/zinc/35/84/35/1036358435.db2.gz VSPRMWLYHCCXEV-KBPBESRZSA-N 1 0 346.452 4.371 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000602515859 1036473468 /nfs/dbraw/zinc/47/34/68/1036473468.db2.gz DJTFFLOSHRQDDW-UHFFFAOYSA-N 1 0 330.331 4.273 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCC[C@H]1CCCCO1 ZINC000602614070 1036518684 /nfs/dbraw/zinc/51/86/84/1036518684.db2.gz BUQFFXJHABDSSA-CQSZACIVSA-N 1 0 346.349 4.053 20 5 EIBDRO CC(C)Oc1ccc([C@H](CNc2ccc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000588845512 1036553842 /nfs/dbraw/zinc/55/38/42/1036553842.db2.gz IMUJRNRLTCRKTO-HNNXBMFYSA-N 1 0 349.456 4.158 20 5 EIBDRO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000589200106 1036707288 /nfs/dbraw/zinc/70/72/88/1036707288.db2.gz QKTNUSGEBSLHAU-KRWDZBQOSA-N 1 0 346.406 4.191 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(F)c2N(C)C)cc1[N+](=O)[O-] ZINC000598963618 1036827675 /nfs/dbraw/zinc/82/76/75/1036827675.db2.gz AGQZYHFPAQKSMY-LBPRGKRZSA-N 1 0 349.381 4.098 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000599008630 1036844959 /nfs/dbraw/zinc/84/49/59/1036844959.db2.gz WDHYNSPBTFPZRJ-UHFFFAOYSA-N 1 0 330.331 4.273 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)CCC2 ZINC000599067447 1036868606 /nfs/dbraw/zinc/86/86/06/1036868606.db2.gz DQPCXDNITLIGKP-QUCCMNQESA-N 1 0 337.423 4.498 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000599068829 1036868671 /nfs/dbraw/zinc/86/86/71/1036868671.db2.gz PWOJKVITTIFWJU-KUHUBIRLSA-N 1 0 325.412 4.490 20 5 EIBDRO CC1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2O1 ZINC000593674616 1036875100 /nfs/dbraw/zinc/87/51/00/1036875100.db2.gz ZVYXGKYVGRFHSO-INIZCTEOSA-N 1 0 330.359 4.126 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@]4(CC4(F)F)C3)o2)c1 ZINC000593696509 1036897761 /nfs/dbraw/zinc/89/77/61/1036897761.db2.gz GGBBTVQRXLNXBN-INIZCTEOSA-N 1 0 334.322 4.086 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@]4(CC4(F)F)C3)o2)c1 ZINC000593696510 1036897819 /nfs/dbraw/zinc/89/78/19/1036897819.db2.gz GGBBTVQRXLNXBN-MRXNPFEDSA-N 1 0 334.322 4.086 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2ccnc(Oc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000603633143 1036919129 /nfs/dbraw/zinc/91/91/29/1036919129.db2.gz AZGLXFSBTNWKIW-UHFFFAOYSA-N 1 0 349.390 4.380 20 5 EIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000590160021 1036998697 /nfs/dbraw/zinc/99/86/97/1036998697.db2.gz ZZPCPCGYJPNRHU-LLVKDONJSA-N 1 0 340.301 4.196 20 5 EIBDRO Cc1c(C[NH2+]Cc2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-] ZINC000231883468 1037011127 /nfs/dbraw/zinc/01/11/27/1037011127.db2.gz DVQMNQNHVQOOGO-UHFFFAOYSA-N 1 0 325.195 4.500 20 5 EIBDRO Cc1cc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000603839042 1037021113 /nfs/dbraw/zinc/02/11/13/1037021113.db2.gz IZBLNDHEJUQITD-IBGZPJMESA-N 1 0 325.412 4.152 20 5 EIBDRO COc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C2CC2)cc1 ZINC000603838853 1037022316 /nfs/dbraw/zinc/02/23/16/1037022316.db2.gz RJHJCHQBASNOBV-UHFFFAOYSA-N 1 0 326.396 4.076 20 5 EIBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc2ccccc2c1 ZINC000603844753 1037036251 /nfs/dbraw/zinc/03/62/51/1037036251.db2.gz XKNPDQBURSQSAW-UHFFFAOYSA-N 1 0 336.391 4.259 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]C2CCC(OC(F)F)CC2)cc1[N+](=O)[O-] ZINC000590780097 1037163397 /nfs/dbraw/zinc/16/33/97/1037163397.db2.gz GJZRCDCESWVSPH-XGNXJENSSA-N 1 0 328.359 4.104 20 5 EIBDRO CC(C)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000057880921 1037294629 /nfs/dbraw/zinc/29/46/29/1037294629.db2.gz YPVLFBYXNGKKOY-CQSZACIVSA-N 1 0 341.411 4.008 20 5 EIBDRO CC(C)c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000057880930 1037296049 /nfs/dbraw/zinc/29/60/49/1037296049.db2.gz YPVLFBYXNGKKOY-AWEZNQCLSA-N 1 0 341.411 4.008 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCOC3(CCC3)C1)CCCC2 ZINC000591348171 1037389895 /nfs/dbraw/zinc/38/98/95/1037389895.db2.gz BKNWQFIINHPOPE-MAUKXSAKSA-N 1 0 330.428 4.054 20 5 EIBDRO COc1ccc(CN2CC(C)(C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000573334413 1037482299 /nfs/dbraw/zinc/48/22/99/1037482299.db2.gz PENRJLBJHJVJPF-MRXNPFEDSA-N 1 0 332.425 4.248 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000061779242 1037543636 /nfs/dbraw/zinc/54/36/36/1037543636.db2.gz FUBGWQSATDDTAI-CYBMUJFWSA-N 1 0 334.803 4.320 20 5 EIBDRO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000489070965 1037850331 /nfs/dbraw/zinc/85/03/31/1037850331.db2.gz QZFYOAQUOWFCAB-GOSISDBHSA-N 1 0 346.402 4.317 20 5 EIBDRO COc1cc(C[NH2+]C(C)(C)CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000489137006 1037877706 /nfs/dbraw/zinc/87/77/06/1037877706.db2.gz JKJTWZCEVJOXPS-UHFFFAOYSA-N 1 0 328.412 4.104 20 5 EIBDRO COc1cc(C[N@H+](Cc2ccccc2C)C2CC2)ccc1[N+](=O)[O-] ZINC000489134892 1037878408 /nfs/dbraw/zinc/87/84/08/1037878408.db2.gz FVJZIOGCBBVCFG-UHFFFAOYSA-N 1 0 326.396 4.076 20 5 EIBDRO COc1ccccc1CC[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000489223910 1037897359 /nfs/dbraw/zinc/89/73/59/1037897359.db2.gz LFWRUPBPYSEJJO-OAHLLOKOSA-N 1 0 328.412 4.147 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3)cccc1[N+](=O)[O-] ZINC000423447416 1038229101 /nfs/dbraw/zinc/22/91/01/1038229101.db2.gz OYDHOVIZCUQAGX-CQSZACIVSA-N 1 0 325.412 4.112 20 5 EIBDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594490247 1038343451 /nfs/dbraw/zinc/34/34/51/1038343451.db2.gz JSFDWBJABKXYRJ-CXAGYDPISA-N 1 0 326.396 4.250 20 5 EIBDRO C[C@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000594710353 1038391418 /nfs/dbraw/zinc/39/14/18/1038391418.db2.gz IAGRCTZSSAQNDB-NHYWBVRUSA-N 1 0 346.349 4.136 20 5 EIBDRO COc1ccc(C[NH2+][C@H](c2ccccc2F)C(C)C)cc1[N+](=O)[O-] ZINC000594969168 1038485397 /nfs/dbraw/zinc/48/53/97/1038485397.db2.gz NPCCCRFIGUTIBH-SFHVURJKSA-N 1 0 332.375 4.229 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CC(C)(C)OC ZINC000504893378 1038838980 /nfs/dbraw/zinc/83/89/80/1038838980.db2.gz DZUDBRHWXXRVQY-ZIAGYGMSSA-N 1 0 340.489 4.259 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCc2ccco2)cc1[N+](=O)[O-] ZINC000504911364 1038847929 /nfs/dbraw/zinc/84/79/29/1038847929.db2.gz FEWWPLOHCOIMBK-UONOGXRCSA-N 1 0 332.400 4.258 20 5 EIBDRO C[C@@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000477935356 1039222737 /nfs/dbraw/zinc/22/27/37/1039222737.db2.gz JIPLVZZCAHWGKV-LSBZLQRGSA-N 1 0 326.396 4.023 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1c(F)cccc1F)C1CC1 ZINC000481325079 1039296425 /nfs/dbraw/zinc/29/64/25/1039296425.db2.gz SPCXXFLPXLQVEV-GOSISDBHSA-N 1 0 346.377 4.026 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000555592509 1039399605 /nfs/dbraw/zinc/39/96/05/1039399605.db2.gz WANZQKVIVSPHLY-HNNXBMFYSA-N 1 0 338.329 4.421 20 5 EIBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCc2cccnc21 ZINC000481416566 1039403605 /nfs/dbraw/zinc/40/36/05/1039403605.db2.gz PWSJHUPFLNVUFT-GOSISDBHSA-N 1 0 325.412 4.279 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(C)c2)cc1[N+](=O)[O-] ZINC000152687500 1039620098 /nfs/dbraw/zinc/62/00/98/1039620098.db2.gz PFECRQIDOVLPAM-CYBMUJFWSA-N 1 0 332.375 4.292 20 5 EIBDRO CCOC1(C)CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000430101516 1039844086 /nfs/dbraw/zinc/84/40/86/1039844086.db2.gz PIUWNDPRFVJOEM-UHFFFAOYSA-N 1 0 344.411 4.246 20 5 EIBDRO CCN(CC)[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000481956229 1039912437 /nfs/dbraw/zinc/91/24/37/1039912437.db2.gz CCQJMWHOJHZFOJ-MAUKXSAKSA-N 1 0 345.443 4.230 20 5 EIBDRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)N(C)C)cc1 ZINC000481964115 1039926191 /nfs/dbraw/zinc/92/61/91/1039926191.db2.gz ZPJVHIXDLRNKOX-JXFKEZNVSA-N 1 0 341.455 4.165 20 5 EIBDRO CC[NH+](CC)C[C@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000553398693 1040196588 /nfs/dbraw/zinc/19/65/88/1040196588.db2.gz LNWYHXUAGVMUQT-LLVKDONJSA-N 1 0 346.258 4.070 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000192707566 1040264511 /nfs/dbraw/zinc/26/45/11/1040264511.db2.gz BIFZIEJJSSLCHO-CHWSQXEVSA-N 1 0 330.384 4.024 20 5 EIBDRO CC[C@H]([NH2+]CCc1ccc(OC)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000482524484 1040323444 /nfs/dbraw/zinc/32/34/44/1040323444.db2.gz AVMGFVUQMFYYHI-KRWDZBQOSA-N 1 0 332.375 4.026 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000122172599 1040340102 /nfs/dbraw/zinc/34/01/02/1040340102.db2.gz FAVUYEKECJCNIO-CHWSQXEVSA-N 1 0 332.375 4.463 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CC(CC(F)F)C2)s1 ZINC000425367042 1040347799 /nfs/dbraw/zinc/34/77/99/1040347799.db2.gz RSLZYVIISXVTIV-UHFFFAOYSA-N 1 0 338.379 4.410 20 5 EIBDRO C[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)C1 ZINC000535545420 1040348351 /nfs/dbraw/zinc/34/83/51/1040348351.db2.gz KLRZDAIRDNCPPC-KBPBESRZSA-N 1 0 329.400 4.118 20 5 EIBDRO C[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)C1 ZINC000535545430 1040349074 /nfs/dbraw/zinc/34/90/74/1040349074.db2.gz KLRZDAIRDNCPPC-UONOGXRCSA-N 1 0 329.400 4.118 20 5 EIBDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000152796129 1040435913 /nfs/dbraw/zinc/43/59/13/1040435913.db2.gz SMCWZSXRLUEILN-QWHCGFSZSA-N 1 0 330.384 4.024 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c(F)c1 ZINC000435741980 1040595247 /nfs/dbraw/zinc/59/52/47/1040595247.db2.gz LCRNYGMHUXWYSW-NNUKFRKNSA-N 1 0 336.313 4.048 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1CN1CC(C)(C)[C@H]1c1cccs1 ZINC000553993627 1040682939 /nfs/dbraw/zinc/68/29/39/1040682939.db2.gz VRWWZFLBYJVMOD-MRXNPFEDSA-N 1 0 332.425 4.248 20 5 EIBDRO COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515433314 1040759951 /nfs/dbraw/zinc/75/99/51/1040759951.db2.gz RIIQEPYDPBJLOE-ZBEGNZNMSA-N 1 0 330.359 4.081 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000595050059 1040801328 /nfs/dbraw/zinc/80/13/28/1040801328.db2.gz FIPKOTGVZBLOMD-CABCVRRESA-N 1 0 343.427 4.060 20 5 EIBDRO CO[C@@H](C)C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000539818715 1040810994 /nfs/dbraw/zinc/81/09/94/1040810994.db2.gz HXAVJNMUHHRQFN-AWEZNQCLSA-N 1 0 332.400 4.100 20 5 EIBDRO CCOc1cc(NCc2cccc(C[N@H+](C)CC)c2)ccc1[N+](=O)[O-] ZINC000537767382 1040814944 /nfs/dbraw/zinc/81/49/44/1040814944.db2.gz OHBSNAHHMDETEP-UHFFFAOYSA-N 1 0 343.427 4.057 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH+](CC3CC3)CC3CC3)cs2)c1 ZINC000539825795 1040822694 /nfs/dbraw/zinc/82/26/94/1040822694.db2.gz WDSAKPJXEZPZET-UHFFFAOYSA-N 1 0 343.452 4.340 20 5 EIBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539828626 1040822772 /nfs/dbraw/zinc/82/27/72/1040822772.db2.gz FGJNXXVXICONTJ-ZIAGYGMSSA-N 1 0 346.452 4.059 20 5 EIBDRO C[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000539825897 1040822825 /nfs/dbraw/zinc/82/28/25/1040822825.db2.gz XRMPGKKHASICCW-CHWSQXEVSA-N 1 0 331.441 4.196 20 5 EIBDRO CC[C@H]([NH2+]CCCn1cnc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000193024258 1040826222 /nfs/dbraw/zinc/82/62/22/1040826222.db2.gz IHCQVJGJOZQTOJ-KRWDZBQOSA-N 1 0 338.411 4.076 20 5 EIBDRO Cc1cc(NCc2ccccc2C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000515551161 1040849282 /nfs/dbraw/zinc/84/92/82/1040849282.db2.gz DAPWPWAOBKZPHE-UHFFFAOYSA-N 1 0 327.428 4.356 20 5 EIBDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000537869258 1040863395 /nfs/dbraw/zinc/86/33/95/1040863395.db2.gz MMMWIXMUWGPLBY-AUUYWEPGSA-N 1 0 344.411 4.148 20 5 EIBDRO CC(C)c1ccc(CN[C@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000462748627 1040896360 /nfs/dbraw/zinc/89/63/60/1040896360.db2.gz DSTYMPLQZDGQBH-SFHVURJKSA-N 1 0 345.487 4.072 20 5 EIBDRO COc1ccc(O[C@@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000483649962 1040929978 /nfs/dbraw/zinc/92/99/78/1040929978.db2.gz FADLPNPQCOXPNY-DZGCQCFKSA-N 1 0 344.411 4.030 20 5 EIBDRO CC[C@H]([NH2+]C[C@@H](C)Oc1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000483656473 1040954157 /nfs/dbraw/zinc/95/41/57/1040954157.db2.gz QUFBJNLPODXPHM-KUHUBIRLSA-N 1 0 344.411 4.112 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1(c2ccccc2)CC1)C1CC1 ZINC000480214556 1041070627 /nfs/dbraw/zinc/07/06/27/1041070627.db2.gz OPGRTMVXPXMEGO-LJQANCHMSA-N 1 0 336.435 4.237 20 5 EIBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000540055682 1041077983 /nfs/dbraw/zinc/07/79/83/1041077983.db2.gz KARZZHQZLLMPKP-UKRRQHHQSA-N 1 0 329.400 4.055 20 5 EIBDRO CC[NH+](CC)Cc1ccc(CNc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000462919215 1041098642 /nfs/dbraw/zinc/09/86/42/1041098642.db2.gz IWKYJQORJJFDEO-UHFFFAOYSA-N 1 0 343.427 4.057 20 5 EIBDRO C[C@@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000436310524 1041098792 /nfs/dbraw/zinc/09/87/92/1041098792.db2.gz RMNMNECFZPGYJX-BEFAXECRSA-N 1 0 331.460 4.043 20 5 EIBDRO COc1cc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1C ZINC000484148029 1041137897 /nfs/dbraw/zinc/13/78/97/1041137897.db2.gz QOZQONSNPQMESV-HNNXBMFYSA-N 1 0 328.412 4.114 20 5 EIBDRO COC[C@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000540149490 1041200035 /nfs/dbraw/zinc/20/00/35/1041200035.db2.gz UUUXOVHLKPAONH-WFASDCNBSA-N 1 0 346.452 4.399 20 5 EIBDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000540171214 1041213882 /nfs/dbraw/zinc/21/38/82/1041213882.db2.gz OJCMPFYXCKIYND-CQSZACIVSA-N 1 0 344.411 4.243 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1ccc(OC)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000540162712 1041224978 /nfs/dbraw/zinc/22/49/78/1041224978.db2.gz JVHGKBVYULEYSB-GOSISDBHSA-N 1 0 332.375 4.374 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540164857 1041226199 /nfs/dbraw/zinc/22/61/99/1041226199.db2.gz OIZHLYJMEOMAFC-LPMFXHHGSA-N 1 0 346.402 4.469 20 5 EIBDRO CC[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1F ZINC000484467412 1041243752 /nfs/dbraw/zinc/24/37/52/1041243752.db2.gz NZOVSNVKWOJWAM-CZUORRHYSA-N 1 0 332.375 4.242 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425554046 1041250766 /nfs/dbraw/zinc/25/07/66/1041250766.db2.gz NVNCMZAVJALWFT-HNAYVOBHSA-N 1 0 344.455 4.245 20 5 EIBDRO COC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1 ZINC000540185648 1041251796 /nfs/dbraw/zinc/25/17/96/1041251796.db2.gz WHJJIZYRWMKDJR-DYVFJYSZSA-N 1 0 332.375 4.081 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H]1SCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000484483324 1041254068 /nfs/dbraw/zinc/25/40/68/1041254068.db2.gz GINVSTWHDZEHSZ-ACJLOTCBSA-N 1 0 328.437 4.276 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000480477937 1041318697 /nfs/dbraw/zinc/31/86/97/1041318697.db2.gz BYZYVOHJFAMBIM-BQLWYNFJSA-N 1 0 330.428 4.080 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3(C4CC4)CCC3)cs2)c1 ZINC000538423640 1041325465 /nfs/dbraw/zinc/32/54/65/1041325465.db2.gz HOGICDJTNQKSGE-UHFFFAOYSA-N 1 0 343.452 4.388 20 5 EIBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1cccc(Cl)c1 ZINC000540323821 1041382393 /nfs/dbraw/zinc/38/23/93/1041382393.db2.gz DGYULUCKLITKNA-INIZCTEOSA-N 1 0 334.803 4.498 20 5 EIBDRO COc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)cc1 ZINC000540327288 1041385865 /nfs/dbraw/zinc/38/58/65/1041385865.db2.gz AMZIYPZONDBZSH-AWEZNQCLSA-N 1 0 344.411 4.241 20 5 EIBDRO C[C@@H](C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000480659623 1041458717 /nfs/dbraw/zinc/45/87/17/1041458717.db2.gz NIHQGUBWPACUFB-BLLLJJGKSA-N 1 0 338.329 4.472 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)C(F)(F)F ZINC000480665262 1041469675 /nfs/dbraw/zinc/46/96/75/1041469675.db2.gz OBTJOYMNZTUEMY-MNOVXSKESA-N 1 0 336.379 4.254 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000924798476 1041490577 /nfs/dbraw/zinc/49/05/77/1041490577.db2.gz OAFBBUAOVYQVGB-LSDHHAIUSA-N 1 0 327.428 4.068 20 5 EIBDRO Cc1ccc(C)n1C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000484902426 1041503372 /nfs/dbraw/zinc/50/33/72/1041503372.db2.gz XVWYHEJOGKHUFQ-MRXNPFEDSA-N 1 0 327.428 4.411 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516313814 1041515561 /nfs/dbraw/zinc/51/55/61/1041515561.db2.gz XBNFHWPBCWYCRL-LLSQANQASA-N 1 0 344.386 4.087 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000539021271 1041611226 /nfs/dbraw/zinc/61/12/26/1041611226.db2.gz YMFPQLHOFQPZGN-UONOGXRCSA-N 1 0 344.411 4.414 20 5 EIBDRO Cc1cc(C[NH+](C)C)cc(N[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000540748847 1041638526 /nfs/dbraw/zinc/63/85/26/1041638526.db2.gz UHWDSGQWSWTZJM-OAHLLOKOSA-N 1 0 327.428 4.446 20 5 EIBDRO CC(C)N(C)c1ccccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000437100387 1041645474 /nfs/dbraw/zinc/64/54/74/1041645474.db2.gz WOBLVYCJKFYRMM-OAHLLOKOSA-N 1 0 327.428 4.290 20 5 EIBDRO O=[N+]([O-])c1cccc(CN(Cc2cc3c(cccc3F)[nH]2)C2CC2)c1 ZINC000437575175 1041844265 /nfs/dbraw/zinc/84/42/65/1041844265.db2.gz HIPFKEMSSPCNHY-UHFFFAOYSA-N 1 0 339.370 4.380 20 5 EIBDRO Cc1cccc(NC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000152999888 1041894991 /nfs/dbraw/zinc/89/49/91/1041894991.db2.gz YPIHJBGUPVGGBY-UHFFFAOYSA-N 1 0 339.439 4.022 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)cc1 ZINC000425973953 1042125556 /nfs/dbraw/zinc/12/55/56/1042125556.db2.gz LEQWAVNXYKZSAC-UHFFFAOYSA-N 1 0 328.334 4.340 20 5 EIBDRO COc1ccc(CC(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000438326462 1042139327 /nfs/dbraw/zinc/13/93/27/1042139327.db2.gz PIFKWXRVTBGXML-UHFFFAOYSA-N 1 0 328.412 4.023 20 5 EIBDRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000464729084 1042141894 /nfs/dbraw/zinc/14/18/94/1042141894.db2.gz ZGUSGFVDSNJEPY-KUHUBIRLSA-N 1 0 328.387 4.360 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC000090217629 1042183902 /nfs/dbraw/zinc/18/39/02/1042183902.db2.gz XDAWKMBXDOOQNO-CHWSQXEVSA-N 1 0 332.375 4.463 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC000090217628 1042184260 /nfs/dbraw/zinc/18/42/60/1042184260.db2.gz XDAWKMBXDOOQNO-STQMWFEESA-N 1 0 332.375 4.463 20 5 EIBDRO CO[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(C)(C)C ZINC000464999373 1042271190 /nfs/dbraw/zinc/27/11/90/1042271190.db2.gz BVRVKNRBUPTYPT-QGZVFWFLSA-N 1 0 348.468 4.474 20 5 EIBDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000193042628 1042385275 /nfs/dbraw/zinc/38/52/75/1042385275.db2.gz OFRQQMIMCYCSAS-LJQANCHMSA-N 1 0 326.396 4.079 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506482776 1042497357 /nfs/dbraw/zinc/49/73/57/1042497357.db2.gz UOXDJYWZXZCNFT-KZNAEPCWSA-N 1 0 345.487 4.242 20 5 EIBDRO COc1ccc([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000491856247 1042507661 /nfs/dbraw/zinc/50/76/61/1042507661.db2.gz AHXBLGVOKVTAAR-SFHVURJKSA-N 1 0 330.359 4.080 20 5 EIBDRO CC(C)(NCc1cnc(C(F)(F)F)s1)c1ccccc1[N+](=O)[O-] ZINC000492308096 1042609595 /nfs/dbraw/zinc/60/95/95/1042609595.db2.gz AMWWBQOAVLUPOD-UHFFFAOYSA-N 1 0 345.346 4.095 20 5 EIBDRO CCOc1cc(C[N@H+](Cc2cccs2)C2CC2)ccc1[N+](=O)[O-] ZINC000492372059 1042631752 /nfs/dbraw/zinc/63/17/52/1042631752.db2.gz AYOORWTVZFGDEZ-UHFFFAOYSA-N 1 0 332.425 4.220 20 5 EIBDRO CCOc1cc(C[NH2+][C@@H](c2cccs2)C2CC2)ccc1[N+](=O)[O-] ZINC000492605928 1042707236 /nfs/dbraw/zinc/70/72/36/1042707236.db2.gz JEGZUBNTHCFJCJ-QGZVFWFLSA-N 1 0 332.425 4.296 20 5 EIBDRO CCOc1cc(C[NH2+]C(C)(C)c2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000492772989 1042749909 /nfs/dbraw/zinc/74/99/09/1042749909.db2.gz OYJIDKJOUUYTNW-UHFFFAOYSA-N 1 0 328.412 4.327 20 5 EIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C)Cc1ccsc1 ZINC000426491895 1042763181 /nfs/dbraw/zinc/76/31/81/1042763181.db2.gz LEMNNSYGYCYCQJ-ZDUSSCGKSA-N 1 0 334.441 4.118 20 5 EIBDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000506690634 1042780551 /nfs/dbraw/zinc/78/05/51/1042780551.db2.gz QZCBPTLJNJJBBM-SFHVURJKSA-N 1 0 326.396 4.249 20 5 EIBDRO CC(C)(C)C[C@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493229419 1042851435 /nfs/dbraw/zinc/85/14/35/1042851435.db2.gz NMPCUHMTTCFQMD-OALUTQOASA-N 1 0 342.439 4.071 20 5 EIBDRO COc1ccc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)cc1 ZINC000761507837 1042872633 /nfs/dbraw/zinc/87/26/33/1042872633.db2.gz YRWDVUZWPCCZOO-HNNXBMFYSA-N 1 0 346.814 4.246 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCOC2CCCCC2)cc1Cl ZINC000761520373 1042874951 /nfs/dbraw/zinc/87/49/51/1042874951.db2.gz CZUFDSDVXZGBOC-UHFFFAOYSA-N 1 0 326.824 4.077 20 5 EIBDRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000184704447 1042883929 /nfs/dbraw/zinc/88/39/29/1042883929.db2.gz JFMRTVBWARUUFB-XJKSGUPXSA-N 1 0 344.415 4.093 20 5 EIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1ccc([N+](=O)[O-])cc1 ZINC000346043365 1042959825 /nfs/dbraw/zinc/95/98/25/1042959825.db2.gz GSWYUNXLTMWXLA-GFCCVEGCSA-N 1 0 327.359 4.109 20 5 EIBDRO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000603497600 1043187265 /nfs/dbraw/zinc/18/72/65/1043187265.db2.gz MWMNYBPOELMVOI-UHFFFAOYSA-N 1 0 340.301 4.125 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]C2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000132767697 1043193516 /nfs/dbraw/zinc/19/35/16/1043193516.db2.gz RXFIJDQHKDQICG-MRXNPFEDSA-N 1 0 339.439 4.223 20 5 EIBDRO CCC[C@H]([NH2+][C@H]1CCCc2nc(C)ncc21)c1cccc([N+](=O)[O-])c1 ZINC000766045152 1043222797 /nfs/dbraw/zinc/22/27/97/1043222797.db2.gz RUERLENMLHFOFD-HKUYNNGSSA-N 1 0 340.427 4.202 20 5 EIBDRO C[C@H](C1CC1)[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000507995643 1043230452 /nfs/dbraw/zinc/23/04/52/1043230452.db2.gz VHPCMPJBEJBQLX-GFCCVEGCSA-N 1 0 343.452 4.481 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1c(C)nn(C)c1C ZINC000133754763 1043299954 /nfs/dbraw/zinc/29/99/54/1043299954.db2.gz OFKXGVBLSMKHRI-BLLLJJGKSA-N 1 0 330.432 4.055 20 5 EIBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000428070331 1043316712 /nfs/dbraw/zinc/31/67/12/1043316712.db2.gz NWEVHJZIUGHHKU-KRWDZBQOSA-N 1 0 346.452 4.059 20 5 EIBDRO Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301769486 1043344151 /nfs/dbraw/zinc/34/41/51/1043344151.db2.gz INTCUQBYEXMJKZ-CJNGLKHVSA-N 1 0 349.862 4.010 20 5 EIBDRO CCN(CC)C[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000520959581 1043450677 /nfs/dbraw/zinc/45/06/77/1043450677.db2.gz TXFXKQBLYFZXMQ-CQSZACIVSA-N 1 0 347.484 4.143 20 5 EIBDRO CC(C)([NH2+]Cc1cc(F)cc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000429235350 1043811527 /nfs/dbraw/zinc/81/15/27/1043811527.db2.gz IRAYPAIZAVGTMV-UHFFFAOYSA-N 1 0 339.370 4.307 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000442808097 1043839636 /nfs/dbraw/zinc/83/96/36/1043839636.db2.gz GKWKCORSJGNJQQ-OAHLLOKOSA-N 1 0 337.423 4.230 20 5 EIBDRO C[C@@H](CCC(C)(C)C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766076857 1043883630 /nfs/dbraw/zinc/88/36/30/1043883630.db2.gz RWNMKDBOYBSGTD-HNNXBMFYSA-N 1 0 333.476 4.368 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-n2ccnc2)c1 ZINC000173453727 1043975385 /nfs/dbraw/zinc/97/53/85/1043975385.db2.gz SONGFASTMBKZIP-CABCVRRESA-N 1 0 336.395 4.192 20 5 EIBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H](C)O1 ZINC000245594737 1044006529 /nfs/dbraw/zinc/00/65/29/1044006529.db2.gz LGCVOOJFMRQPTF-AGGWBTHJSA-N 1 0 346.452 4.369 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000732988572 1044063187 /nfs/dbraw/zinc/06/31/87/1044063187.db2.gz IUXHUGRIUFBCBI-GOSISDBHSA-N 1 0 332.350 4.253 20 5 EIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000246483828 1044317298 /nfs/dbraw/zinc/31/72/98/1044317298.db2.gz AHOHHBNAHXWVSK-HZSPNIEDSA-N 1 0 344.415 4.074 20 5 EIBDRO COc1ccc2oc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)cc2c1 ZINC000123444316 1044719058 /nfs/dbraw/zinc/71/90/58/1044719058.db2.gz WNMCUZJMBZZSOH-LBPRGKRZSA-N 1 0 326.352 4.200 20 5 EIBDRO CC(C)[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CCC1 ZINC000193202492 1044739928 /nfs/dbraw/zinc/73/99/28/1044739928.db2.gz IAGMZNVRACXTON-UHFFFAOYSA-N 1 0 329.400 4.260 20 5 EIBDRO COc1ccc(C[NH2+]C(C)(C)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000237314842 1044833251 /nfs/dbraw/zinc/83/32/51/1044833251.db2.gz UHDUOMQKWQFDMO-UHFFFAOYSA-N 1 0 328.412 4.104 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000154961016 1044851516 /nfs/dbraw/zinc/85/15/16/1044851516.db2.gz QUCHUVHGIOKEIE-CRAIPNDOSA-N 1 0 343.427 4.066 20 5 EIBDRO Cc1c([C@H](C)[NH2+]C2CCN(c3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000168436360 1044860457 /nfs/dbraw/zinc/86/04/57/1044860457.db2.gz CGINCAAJNWHENC-AWEZNQCLSA-N 1 0 345.468 4.284 20 5 EIBDRO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccn1 ZINC000124799649 1044895059 /nfs/dbraw/zinc/89/50/59/1044895059.db2.gz KEWXMZJXOMWAGE-UHFFFAOYSA-N 1 0 337.379 4.272 20 5 EIBDRO Cc1ccc(C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)cc1[N+](=O)[O-] ZINC000922774730 1044936431 /nfs/dbraw/zinc/93/64/31/1044936431.db2.gz HNTJINNXTVCBSE-NVXWUHKLSA-N 1 0 332.350 4.042 20 5 EIBDRO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000466670828 1044956749 /nfs/dbraw/zinc/95/67/49/1044956749.db2.gz KAVFPBJGLPSFQB-HNNXBMFYSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000543632451 1044994370 /nfs/dbraw/zinc/99/43/70/1044994370.db2.gz URPOALZJXBSTSW-UHFFFAOYSA-N 1 0 339.439 4.135 20 5 EIBDRO COc1cccc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000495369803 1044997767 /nfs/dbraw/zinc/99/77/67/1044997767.db2.gz WQUIGXLTCNWJPT-LBPRGKRZSA-N 1 0 334.803 4.150 20 5 EIBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000392115444 1045016464 /nfs/dbraw/zinc/01/64/64/1045016464.db2.gz VSWHHZOFJBBAKU-AWEZNQCLSA-N 1 0 330.432 4.065 20 5 EIBDRO COc1ccccc1[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000738340714 1045052459 /nfs/dbraw/zinc/05/24/59/1045052459.db2.gz ONSSJEUDFOZEQF-ZDUSSCGKSA-N 1 0 346.814 4.246 20 5 EIBDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000738312440 1045055774 /nfs/dbraw/zinc/05/57/74/1045055774.db2.gz OKNJWKLHEWEJSU-CABCVRRESA-N 1 0 328.387 4.420 20 5 EIBDRO COc1cc2c(cc1F)CC[C@H]2[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000509434139 1045159769 /nfs/dbraw/zinc/15/97/69/1045159769.db2.gz ZURSDNFYHYGSFF-XQDHMALISA-N 1 0 342.370 4.033 20 5 EIBDRO Cc1cc(NC[C@@H](C)c2nccs2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302126131 1045162277 /nfs/dbraw/zinc/16/22/77/1045162277.db2.gz IIQJPLQFSZGDPD-SNVBAGLBSA-N 1 0 328.397 4.124 20 5 EIBDRO Cc1cc(N2C[C@H](C)C[C@H]2c2cccnc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302153637 1045163393 /nfs/dbraw/zinc/16/33/93/1045163393.db2.gz VDFLGJRLTNBEON-YJYMSZOUSA-N 1 0 348.406 4.434 20 5 EIBDRO Cc1cc(N[C@@H]2CCO[C@H]2c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302167818 1045165635 /nfs/dbraw/zinc/16/56/35/1045165635.db2.gz LJPHQXQKLVDCIE-QUCCMNQESA-N 1 0 349.390 4.394 20 5 EIBDRO Cc1cc(N[C@H]2CCO[C@H]2c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302167817 1045166570 /nfs/dbraw/zinc/16/65/70/1045166570.db2.gz LJPHQXQKLVDCIE-ICSRJNTNSA-N 1 0 349.390 4.394 20 5 EIBDRO COC[C@H](CCO)[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC000740010569 1045175559 /nfs/dbraw/zinc/17/55/59/1045175559.db2.gz FKGOSFMZXVNYPV-AWEZNQCLSA-N 1 0 343.854 4.133 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H]1CCOc2ccccc21)C1CC1 ZINC000611254797 1045266595 /nfs/dbraw/zinc/26/65/95/1045266595.db2.gz MHULKYBJOPZFMN-OAHLLOKOSA-N 1 0 338.407 4.126 20 5 EIBDRO COc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000611335835 1045281178 /nfs/dbraw/zinc/28/11/78/1045281178.db2.gz RUNIBBFEMVEHBF-SUMWQHHRSA-N 1 0 342.395 4.086 20 5 EIBDRO CC(C)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1CCCCO1 ZINC000611336747 1045283598 /nfs/dbraw/zinc/28/35/98/1045283598.db2.gz AUYFIYMUNWZMMI-MJGOQNOKSA-N 1 0 346.471 4.101 20 5 EIBDRO CO[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000611336749 1045284058 /nfs/dbraw/zinc/28/40/58/1045284058.db2.gz BTMRIVFVSZOLFQ-PXAZEXFGSA-N 1 0 334.803 4.287 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)c(F)c1 ZINC000611497862 1045318036 /nfs/dbraw/zinc/31/80/36/1045318036.db2.gz SUQAFYQZKYTPGR-UHFFFAOYSA-N 1 0 347.777 4.201 20 5 EIBDRO COc1ccc([C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C2CC2)cc1 ZINC000194014096 1045568985 /nfs/dbraw/zinc/56/89/85/1045568985.db2.gz WDRCXUYKCXUMGT-LJQANCHMSA-N 1 0 326.396 4.153 20 5 EIBDRO Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000533579693 1045603353 /nfs/dbraw/zinc/60/33/53/1045603353.db2.gz DCTPSPYTEIOLPV-CRAIPNDOSA-N 1 0 328.412 4.040 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CCSC ZINC000768102943 1045715349 /nfs/dbraw/zinc/71/53/49/1045715349.db2.gz RMWXZVXNPZDTHX-OLZOCXBDSA-N 1 0 328.503 4.197 20 5 EIBDRO O=C1CCCN1[C@@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000792187504 1045877147 /nfs/dbraw/zinc/87/71/47/1045877147.db2.gz SBBALSBYABIGHH-LJQANCHMSA-N 1 0 344.458 4.190 20 5 EIBDRO CSC[C@H](CCO)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000237369504 1045934362 /nfs/dbraw/zinc/93/43/62/1045934362.db2.gz AHQKCDSVVURFAM-KRWDZBQOSA-N 1 0 325.477 4.197 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(SC)cc2)c([N+](=O)[O-])c1 ZINC001170295803 1045979972 /nfs/dbraw/zinc/97/99/72/1045979972.db2.gz FHQKBQQLGUBHFW-CYBMUJFWSA-N 1 0 346.452 4.046 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]C(C)(C)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001170304891 1045985361 /nfs/dbraw/zinc/98/53/61/1045985361.db2.gz HJMCPYPQISVVPT-ZDUSSCGKSA-N 1 0 346.402 4.198 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc3ccoc3c2)c([N+](=O)[O-])c1 ZINC001170318950 1045996403 /nfs/dbraw/zinc/99/64/03/1045996403.db2.gz TUGLPCWEQIZYLD-CYBMUJFWSA-N 1 0 340.379 4.070 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]CCCCc2ccccc2)c([N+](=O)[O-])c1 ZINC001170318340 1045997104 /nfs/dbraw/zinc/99/71/04/1045997104.db2.gz PJUDIYKDFDJAJT-INIZCTEOSA-N 1 0 342.439 4.147 20 5 EIBDRO COc1ccc(C[C@H](C)[N@H+]2Cc3ccccc3[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170329597 1046002042 /nfs/dbraw/zinc/00/20/42/1046002042.db2.gz SBAYMLUSJUNZFY-GJZGRUSLSA-N 1 0 340.423 4.154 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001170307218 1046006000 /nfs/dbraw/zinc/00/60/00/1046006000.db2.gz FPLFVZKCJQEYGL-CHWSQXEVSA-N 1 0 332.375 4.024 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]Cc2c(C)cc(F)cc2C)c([N+](=O)[O-])c1 ZINC001170308744 1046008446 /nfs/dbraw/zinc/00/84/46/1046008446.db2.gz OIJCBMGIHIBVIA-AWEZNQCLSA-N 1 0 346.402 4.080 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2C2CC2)c([N+](=O)[O-])c1 ZINC001170309691 1046009381 /nfs/dbraw/zinc/00/93/81/1046009381.db2.gz RLKOSXAXOLGPJY-CQSZACIVSA-N 1 0 340.423 4.202 20 5 EIBDRO COc1ccc(C[C@H](C)[N@H+](C)CCc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC001170345255 1046020681 /nfs/dbraw/zinc/02/06/81/1046020681.db2.gz JBUIARYKJFAYSJ-INIZCTEOSA-N 1 0 342.439 4.017 20 5 EIBDRO CC(C)(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000792874514 1046087816 /nfs/dbraw/zinc/08/78/16/1046087816.db2.gz VXOSZUYWKOWSFQ-QGZVFWFLSA-N 1 0 343.383 4.380 20 5 EIBDRO CC(C)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccs1 ZINC000792877660 1046090183 /nfs/dbraw/zinc/09/01/83/1046090183.db2.gz VJSYNEFRNVTGCX-CQSZACIVSA-N 1 0 349.412 4.442 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000152523246 1046100984 /nfs/dbraw/zinc/10/09/84/1046100984.db2.gz QUXLADCTHPPKMO-SJORKVTESA-N 1 0 339.439 4.080 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792914817 1046107085 /nfs/dbraw/zinc/10/70/85/1046107085.db2.gz XURYUQGBDIBTFZ-DDTOSNHZSA-N 1 0 329.227 4.172 20 5 EIBDRO CCC[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1cccc([N+](=O)[O-])c1 ZINC000130467958 1046343224 /nfs/dbraw/zinc/34/32/24/1046343224.db2.gz MAAIQCLATKKPKC-QZTJIDSGSA-N 1 0 326.396 4.419 20 5 EIBDRO C[NH+]1C(C)(C)CC(Nc2ccc([N+](=O)[O-])c3cnccc23)CC1(C)C ZINC001170450948 1046496738 /nfs/dbraw/zinc/49/67/38/1046496738.db2.gz PEZSWMNKWPKLLW-UHFFFAOYSA-N 1 0 342.443 4.206 20 5 EIBDRO CCSCC[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000536671785 1046657517 /nfs/dbraw/zinc/65/75/17/1046657517.db2.gz YOJUFNORQJHDTB-LLVKDONJSA-N 1 0 348.415 4.160 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000536676555 1046661356 /nfs/dbraw/zinc/66/13/56/1046661356.db2.gz SEZQKLSYTZQROJ-MOTZXUDYSA-N 1 0 330.428 4.032 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccncc1C ZINC000536828956 1046800504 /nfs/dbraw/zinc/80/05/04/1046800504.db2.gz ULNFOBCGVULEEG-MRXNPFEDSA-N 1 0 345.468 4.001 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000459630273 1046820798 /nfs/dbraw/zinc/82/07/98/1046820798.db2.gz ASTXUCUNPZGUSX-HZPDHXFCSA-N 1 0 327.428 4.360 20 5 EIBDRO COc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000536856286 1046825288 /nfs/dbraw/zinc/82/52/88/1046825288.db2.gz DWQRZZALCGDWIW-CQSZACIVSA-N 1 0 328.412 4.232 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)cs1 ZINC000459666358 1046849757 /nfs/dbraw/zinc/84/97/57/1046849757.db2.gz MGDUKCKTTXEZLM-BXKDBHETSA-N 1 0 326.780 4.095 20 5 EIBDRO COc1cccc(NC2CCC([NH+]3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000497565813 1046858284 /nfs/dbraw/zinc/85/82/84/1046858284.db2.gz CJLICGYBSSHZFG-UHFFFAOYSA-N 1 0 347.459 4.058 20 5 EIBDRO CCC[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC1 ZINC000459792206 1046891065 /nfs/dbraw/zinc/89/10/65/1046891065.db2.gz IKUKCYZMXQZXNG-KRWDZBQOSA-N 1 0 329.400 4.308 20 5 EIBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC001170481928 1046900628 /nfs/dbraw/zinc/90/06/28/1046900628.db2.gz YHPZIEWSKUTCKJ-OAHLLOKOSA-N 1 0 344.386 4.122 20 5 EIBDRO CC(C)Oc1cccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000537024623 1046901321 /nfs/dbraw/zinc/90/13/21/1046901321.db2.gz RLQOIYQNRODSQA-OAHLLOKOSA-N 1 0 328.412 4.275 20 5 EIBDRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000917481992 1046902241 /nfs/dbraw/zinc/90/22/41/1046902241.db2.gz ASGLGRDEMFZTMG-LJQANCHMSA-N 1 0 336.395 4.048 20 5 EIBDRO CCCO[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746666795 1046976126 /nfs/dbraw/zinc/97/61/26/1046976126.db2.gz VJTPIILGSKYUQH-HNNXBMFYSA-N 1 0 326.824 4.029 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)cc1F ZINC000788475620 1047197774 /nfs/dbraw/zinc/19/77/74/1047197774.db2.gz HBNIFFQVNPUCMN-INIZCTEOSA-N 1 0 332.350 4.080 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C(C)C)[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000788622037 1047252863 /nfs/dbraw/zinc/25/28/63/1047252863.db2.gz PCRLCTWOSOFHMX-RYGJVYDSSA-N 1 0 342.439 4.312 20 5 EIBDRO CSCc1cc(F)ccc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788629901 1047254977 /nfs/dbraw/zinc/25/49/77/1047254977.db2.gz XRRLIKQAIOUPPY-NSHDSACASA-N 1 0 349.431 4.030 20 5 EIBDRO CSc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788629402 1047255998 /nfs/dbraw/zinc/25/59/98/1047255998.db2.gz UOYNRCSGZJCMCB-LBPRGKRZSA-N 1 0 331.441 4.058 20 5 EIBDRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788639983 1047257276 /nfs/dbraw/zinc/25/72/76/1047257276.db2.gz DWWSPTMDSJBHTK-ZIAGYGMSSA-N 1 0 343.427 4.376 20 5 EIBDRO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788736365 1047297074 /nfs/dbraw/zinc/29/70/74/1047297074.db2.gz USTPVYKDAIMEKR-NQCMUKECSA-N 1 0 325.412 4.151 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](c3cccnc3)C3CC3)o2)cc1 ZINC000533921651 1047775229 /nfs/dbraw/zinc/77/52/29/1047775229.db2.gz RJUTZHQPGFSTKD-FQEVSTJZSA-N 1 0 349.390 4.491 20 5 EIBDRO Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CCCO2 ZINC000089513333 1047781262 /nfs/dbraw/zinc/78/12/62/1047781262.db2.gz GEXBXHUIKLUUDM-GOSISDBHSA-N 1 0 326.396 4.215 20 5 EIBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccnc(Cl)c1 ZINC000808727419 1048076316 /nfs/dbraw/zinc/07/63/16/1048076316.db2.gz DZZFBZQMYMEKHY-NSHDSACASA-N 1 0 344.802 4.018 20 5 EIBDRO C[NH+](C)CCn1ccc(NCc2c3ccccc3cc3ccccc32)n1 ZINC000763446103 1048304654 /nfs/dbraw/zinc/30/46/54/1048304654.db2.gz HNZPUKFILPCPSG-UHFFFAOYSA-N 1 0 344.462 4.363 20 5 EIBDRO COc1ccc([C@H](C)CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000815583352 1048520298 /nfs/dbraw/zinc/52/02/98/1048520298.db2.gz CYLFYLWBYQJHRO-ZIAGYGMSSA-N 1 0 343.427 4.030 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000846038099 1048801941 /nfs/dbraw/zinc/80/19/41/1048801941.db2.gz PBAPQPGOONTAOP-YHTPHNNESA-N 1 0 326.799 4.292 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000846103220 1048820790 /nfs/dbraw/zinc/82/07/90/1048820790.db2.gz UJTUHWNWMCBGML-RJNRQISESA-N 1 0 329.227 4.172 20 5 EIBDRO C[C@]1(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@]1(F)Cl ZINC000846182287 1048835300 /nfs/dbraw/zinc/83/53/00/1048835300.db2.gz BIXGFVXQPTUQAI-HYVNUMGLSA-N 1 0 340.826 4.210 20 5 EIBDRO C[C@]1(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@]1(F)Cl ZINC000846182285 1048835997 /nfs/dbraw/zinc/83/59/97/1048835997.db2.gz BIXGFVXQPTUQAI-BHYGNILZSA-N 1 0 340.826 4.210 20 5 EIBDRO CCNC(=O)C(C)(C)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000772952705 1048890177 /nfs/dbraw/zinc/89/01/77/1048890177.db2.gz OMOHKOCSRAQBEN-UHFFFAOYSA-N 1 0 334.463 4.245 20 5 EIBDRO CC[C@@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001171285916 1049058409 /nfs/dbraw/zinc/05/84/09/1049058409.db2.gz GEKFXVKYFRWZQW-DGCLKSJQSA-N 1 0 341.249 4.272 20 5 EIBDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000811488800 1049084721 /nfs/dbraw/zinc/08/47/21/1049084721.db2.gz LQGLUKMTYAYWQV-MNOVXSKESA-N 1 0 347.242 4.196 20 5 EIBDRO C[C@H]1C[C@@H](CC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000811488801 1049085704 /nfs/dbraw/zinc/08/57/04/1049085704.db2.gz LQGLUKMTYAYWQV-QWRGUYRKSA-N 1 0 347.242 4.196 20 5 EIBDRO CCCCOCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811472835 1049094340 /nfs/dbraw/zinc/09/43/40/1049094340.db2.gz OFJYLSJONQQMTM-UHFFFAOYSA-N 1 0 335.231 4.198 20 5 EIBDRO [NH3+]CCc1cc2ccccc2n1-c1ncnc2cc3ccccc3cc21 ZINC001171302706 1049142426 /nfs/dbraw/zinc/14/24/26/1049142426.db2.gz QRPQWKSMIBZUGR-UHFFFAOYSA-N 1 0 338.414 4.228 20 5 EIBDRO [NH3+]CCc1cc2ccccc2n1-c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001171304778 1049151724 /nfs/dbraw/zinc/15/17/24/1049151724.db2.gz MZULXOYVDPMUDX-UHFFFAOYSA-N 1 0 349.312 4.059 20 5 EIBDRO Cc1ccc([C@H]2CSCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000609706107 1049278305 /nfs/dbraw/zinc/27/83/05/1049278305.db2.gz XNZVCWFXJPGJCP-LJQANCHMSA-N 1 0 342.464 4.236 20 5 EIBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cccnc1Cl ZINC000773023442 1049537813 /nfs/dbraw/zinc/53/78/13/1049537813.db2.gz FSNSDWXFDHWKQE-CYBMUJFWSA-N 1 0 333.819 4.317 20 5 EIBDRO CCCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H](C)C1 ZINC001170683709 1049542040 /nfs/dbraw/zinc/54/20/40/1049542040.db2.gz SZZXNQUQSCGXAB-SNRMKQJTSA-N 1 0 334.460 4.309 20 5 EIBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)CCO2 ZINC000773037563 1049543628 /nfs/dbraw/zinc/54/36/28/1049543628.db2.gz VYMKTPLXAFLGMN-KRWDZBQOSA-N 1 0 346.814 4.424 20 5 EIBDRO CCC[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000773112805 1049591572 /nfs/dbraw/zinc/59/15/72/1049591572.db2.gz AKKWOYGFGKZIGE-OALUTQOASA-N 1 0 346.402 4.072 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000773138502 1049602396 /nfs/dbraw/zinc/60/23/96/1049602396.db2.gz LPGJVIJRQBZTPM-FZKCQIBNSA-N 1 0 338.498 4.015 20 5 EIBDRO CN(C(=O)c1c2ccccc2cc2ccccc21)[C@H]1CCC[N@H+](C)C1 ZINC000813025478 1049661885 /nfs/dbraw/zinc/66/18/85/1049661885.db2.gz RXTWVZUTRCTQPW-SFHVURJKSA-N 1 0 332.447 4.159 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(c2ccccn2)CC1 ZINC000615836010 1049785951 /nfs/dbraw/zinc/78/59/51/1049785951.db2.gz FYYUPSOWJLXKCP-DTQAZKPQSA-N 1 0 337.423 4.273 20 5 EIBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001171018510 1049852182 /nfs/dbraw/zinc/85/21/82/1049852182.db2.gz PXPINNOUMNDEAI-WOJBJXKFSA-N 1 0 340.423 4.242 20 5 EIBDRO CC(C)OCCCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180461241 1049898250 /nfs/dbraw/zinc/89/82/50/1049898250.db2.gz VNZBELKCSIVANA-FQEVSTJZSA-N 1 0 342.439 4.479 20 5 EIBDRO CC[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccc(C)o1 ZINC001172903712 1050204620 /nfs/dbraw/zinc/20/46/20/1050204620.db2.gz SPRFMOQZZDZUSM-SJLPKXTDSA-N 1 0 328.412 4.485 20 5 EIBDRO CCC[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccncc1 ZINC001172904314 1050204727 /nfs/dbraw/zinc/20/47/27/1050204727.db2.gz WYBGUAWQLWGPSJ-ICSRJNTNSA-N 1 0 339.439 4.368 20 5 EIBDRO CC(C)(C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)CC(F)(F)F ZINC001172900433 1050205025 /nfs/dbraw/zinc/20/50/25/1050205025.db2.gz DPUCCZYIQAFAPB-CQSZACIVSA-N 1 0 344.377 4.410 20 5 EIBDRO Cc1cc(F)cc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172902264 1050205106 /nfs/dbraw/zinc/20/51/06/1050205106.db2.gz WRIBPRUARSPGPR-SFHVURJKSA-N 1 0 328.387 4.080 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CCc3ccccc31)CC2 ZINC001172906832 1050206299 /nfs/dbraw/zinc/20/62/99/1050206299.db2.gz OXVHSVQTHXWCLJ-RTBURBONSA-N 1 0 336.435 4.162 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cncc(Cl)c1 ZINC001172907639 1050206884 /nfs/dbraw/zinc/20/68/84/1050206884.db2.gz UKWDPJHEGBOOMB-SJKOYZFVSA-N 1 0 345.830 4.241 20 5 EIBDRO CC(C)[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccncc1 ZINC001172908406 1050207585 /nfs/dbraw/zinc/20/75/85/1050207585.db2.gz MFIBSXQVLMDJNX-UYAOXDASSA-N 1 0 339.439 4.224 20 5 EIBDRO C[N@H+](Cc1ccc(Cl)nc1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922641 1050235384 /nfs/dbraw/zinc/23/53/84/1050235384.db2.gz ZUCYICHDLMFGGO-MRXNPFEDSA-N 1 0 345.830 4.023 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@H]1c1cccnc1)CC2 ZINC001172910382 1050246482 /nfs/dbraw/zinc/24/64/82/1050246482.db2.gz YJKFXNMIFUTZED-QUCCMNQESA-N 1 0 337.423 4.074 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1C[C@@H]1c1ccc(F)cc1)CC2 ZINC001172913098 1050248624 /nfs/dbraw/zinc/24/86/24/1050248624.db2.gz TYQRVMBPOBPCRO-RLLQIKCJSA-N 1 0 340.398 4.127 20 5 EIBDRO CCC[C@H](C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001177683472 1050276936 /nfs/dbraw/zinc/27/69/36/1050276936.db2.gz FCBMWTKSQXGYAM-QGZVFWFLSA-N 1 0 328.412 4.147 20 5 EIBDRO CC[C@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181647087 1050281617 /nfs/dbraw/zinc/28/16/17/1050281617.db2.gz JPMUAJJEXRRXGW-RBUKOAKNSA-N 1 0 340.423 4.149 20 5 EIBDRO COc1cccc([C@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC001173218549 1050352135 /nfs/dbraw/zinc/35/21/35/1050352135.db2.gz BTEQNFCUOYRTQD-JLTOFOAXSA-N 1 0 340.423 4.275 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nccc(Cl)c1Cl ZINC001173222740 1050354616 /nfs/dbraw/zinc/35/46/16/1050354616.db2.gz YXDZTDAYTDUHKM-JTQLQIEISA-N 1 0 340.210 4.017 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173224126 1050354842 /nfs/dbraw/zinc/35/48/42/1050354842.db2.gz MGVGRHXMEOGZMS-HUUCEWRRSA-N 1 0 328.412 4.275 20 5 EIBDRO COc1c(F)cccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173223902 1050354958 /nfs/dbraw/zinc/35/49/58/1050354958.db2.gz BKAGKMCEODYSHC-QWHCGFSZSA-N 1 0 332.375 4.024 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC001173221081 1050355315 /nfs/dbraw/zinc/35/53/15/1050355315.db2.gz FLSAZJUNYUQBBS-HNNXBMFYSA-N 1 0 342.414 4.277 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(Cc2ccccc2F)CC1 ZINC001173223674 1050355662 /nfs/dbraw/zinc/35/56/62/1050355662.db2.gz KVAPQHVNVZTROD-OAHLLOKOSA-N 1 0 342.414 4.277 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cccc2cccnc21 ZINC001173226415 1050356672 /nfs/dbraw/zinc/35/66/72/1050356672.db2.gz KBXNWZYGTPWZPA-HNNXBMFYSA-N 1 0 335.407 4.206 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2cccc(O)c2)CC1 ZINC001173229834 1050357220 /nfs/dbraw/zinc/35/72/20/1050357220.db2.gz AOJHZVOAQZNFQO-HNNXBMFYSA-N 1 0 340.423 4.111 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001173224949 1050357840 /nfs/dbraw/zinc/35/78/40/1050357840.db2.gz AASMJKPGVIJDIZ-OXJNMPFZSA-N 1 0 340.423 4.069 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@H](C(F)(F)F)CC1 ZINC001173225895 1050358082 /nfs/dbraw/zinc/35/80/82/1050358082.db2.gz KDUYXVLFZOPDPT-UBHSHLNASA-N 1 0 330.350 4.237 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001173232646 1050359660 /nfs/dbraw/zinc/35/96/60/1050359660.db2.gz FEDWRADIKNTTLW-XIKOKIGWSA-N 1 0 330.815 4.456 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001173231082 1050359719 /nfs/dbraw/zinc/35/97/19/1050359719.db2.gz JMJYTURVNXLBFP-OAHLLOKOSA-N 1 0 340.423 4.111 20 5 EIBDRO COc1cccc([C@@H]2CC[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001173231931 1050359890 /nfs/dbraw/zinc/35/98/90/1050359890.db2.gz OZKWTDOOHDYGQX-CRAIPNDOSA-N 1 0 340.423 4.024 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001173231079 1050360815 /nfs/dbraw/zinc/36/08/15/1050360815.db2.gz JMJYTURVNXLBFP-HNNXBMFYSA-N 1 0 340.423 4.111 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1ccnc(Cl)c1)C1CC1 ZINC001173236277 1050373633 /nfs/dbraw/zinc/37/36/33/1050373633.db2.gz ZORHFOIUCIYWED-SGTLLEGYSA-N 1 0 345.830 4.315 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1c(F)cccc1Cl ZINC001173213949 1050374294 /nfs/dbraw/zinc/37/42/94/1050374294.db2.gz JOEXSYMPIUATCN-LBPRGKRZSA-N 1 0 336.794 4.151 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1cccc([N+](=O)[O-])c1 ZINC001178203275 1050403909 /nfs/dbraw/zinc/40/39/09/1050403909.db2.gz CMSUJUXPLZWJLK-SCLBCKFNSA-N 1 0 326.396 4.159 20 5 EIBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccccc2OC2CCCC2)c1 ZINC001178386531 1050450881 /nfs/dbraw/zinc/45/08/81/1050450881.db2.gz BOJZJMHQPUKKQH-UHFFFAOYSA-N 1 0 340.423 4.249 20 5 EIBDRO CCC[C@H]1CCCC[C@H]1C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC001178954922 1050597806 /nfs/dbraw/zinc/59/78/06/1050597806.db2.gz WUJOHBRZDPIPHO-KBPBESRZSA-N 1 0 336.432 4.005 20 5 EIBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000618986685 1050611369 /nfs/dbraw/zinc/61/13/69/1050611369.db2.gz LZXOUUCDMDIIPQ-RDTXWAMCSA-N 1 0 344.455 4.399 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C1CC1 ZINC001179173219 1050646867 /nfs/dbraw/zinc/64/68/67/1050646867.db2.gz KHWHGIFMYSFKFG-INIZCTEOSA-N 1 0 330.384 4.142 20 5 EIBDRO C[C@H](C[NH2+]Cc1cccc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC001179685242 1050747972 /nfs/dbraw/zinc/74/79/72/1050747972.db2.gz IADAJXCKDDIYTJ-GFCCVEGCSA-N 1 0 349.228 4.251 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3C[C@@H]4CCC[C@@H]34)o2)c([N+](=O)[O-])c1 ZINC001179768872 1050764964 /nfs/dbraw/zinc/76/49/64/1050764964.db2.gz ZDQDJVRDQYTCLV-XGWLTEMNSA-N 1 0 342.395 4.142 20 5 EIBDRO CCO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000775202830 1050851362 /nfs/dbraw/zinc/85/13/62/1050851362.db2.gz WUFYMAQHXCRBTB-QGZVFWFLSA-N 1 0 334.803 4.116 20 5 EIBDRO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001180092175 1050867110 /nfs/dbraw/zinc/86/71/10/1050867110.db2.gz KJMYLPGZUYFTNZ-JXFKEZNVSA-N 1 0 344.455 4.430 20 5 EIBDRO CC(C)(C)c1ccc(CC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001180267133 1050940849 /nfs/dbraw/zinc/94/08/49/1050940849.db2.gz OZFRWVWHVXQIKE-UHFFFAOYSA-N 1 0 338.451 4.493 20 5 EIBDRO Cc1ccccc1OCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001180444524 1050993340 /nfs/dbraw/zinc/99/33/40/1050993340.db2.gz HPYAEIRQSQPKNM-UHFFFAOYSA-N 1 0 334.803 4.067 20 5 EIBDRO CCOc1ccc(C[N@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC001180489272 1051004751 /nfs/dbraw/zinc/00/47/51/1051004751.db2.gz XJBLPQXMHNSBFQ-UHFFFAOYSA-N 1 0 328.412 4.242 20 5 EIBDRO COc1cccc([C@@]2(C)CC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC001174583809 1051069144 /nfs/dbraw/zinc/06/91/44/1051069144.db2.gz YLDUXAHCLLTWKX-FQEVSTJZSA-N 1 0 340.423 4.075 20 5 EIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H](C)CC(C)(C)C ZINC001180906015 1051104611 /nfs/dbraw/zinc/10/46/11/1051104611.db2.gz IPZKMZKHAXEDDI-HUUCEWRRSA-N 1 0 349.475 4.364 20 5 EIBDRO CC(C)[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001180950527 1051119393 /nfs/dbraw/zinc/11/93/93/1051119393.db2.gz BWNJRRMFORTBLF-GFCCVEGCSA-N 1 0 330.350 4.482 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCCCc2ccc(F)cc2)cc1 ZINC001181055850 1051137336 /nfs/dbraw/zinc/13/73/36/1051137336.db2.gz NEJWFCDDCXLEEW-UHFFFAOYSA-N 1 0 330.403 4.279 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCCC34CCCCC4)nc2c1 ZINC001181267894 1051195185 /nfs/dbraw/zinc/19/51/85/1051195185.db2.gz VMJWLVPKERCWQU-INIZCTEOSA-N 1 0 328.416 4.064 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000775422606 1051308229 /nfs/dbraw/zinc/30/82/29/1051308229.db2.gz XVZIMRCFMATFNU-RDTXWAMCSA-N 1 0 346.814 4.116 20 5 EIBDRO CCC[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001181859944 1051330901 /nfs/dbraw/zinc/33/09/01/1051330901.db2.gz LLHKPXRGYBOXSO-CZUORRHYSA-N 1 0 335.448 4.116 20 5 EIBDRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001182182846 1051412561 /nfs/dbraw/zinc/41/25/61/1051412561.db2.gz FTUVYVUGUJIMKH-OLZOCXBDSA-N 1 0 331.416 4.383 20 5 EIBDRO COc1ccc(C[N@@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)cc1[N+](=O)[O-] ZINC001191475991 1051461892 /nfs/dbraw/zinc/46/18/92/1051461892.db2.gz QQDOYBCCPOXBEH-CRAIPNDOSA-N 1 0 340.423 4.057 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](c2ccccc2)C2CCCC2)cc1 ZINC000774407568 1051583930 /nfs/dbraw/zinc/58/39/30/1051583930.db2.gz BBFOFQVNPYNBLG-PMACEKPBSA-N 1 0 340.423 4.149 20 5 EIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(Cl)c(N)c(Cl)c1 ZINC000774446113 1051594290 /nfs/dbraw/zinc/59/42/90/1051594290.db2.gz FMNMGOQAGKDKOH-VIFPVBQESA-N 1 0 340.210 4.335 20 5 EIBDRO COCCC(C)(C)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000183943604 1051674880 /nfs/dbraw/zinc/67/48/80/1051674880.db2.gz JCZUSNSWJCXNCZ-LJQANCHMSA-N 1 0 342.439 4.337 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCSC[C@@H]1c1ccccc1 ZINC001175769144 1051774174 /nfs/dbraw/zinc/77/41/74/1051774174.db2.gz PWIRHMONZFACAI-GOSISDBHSA-N 1 0 328.437 4.275 20 5 EIBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C(C)(C)c1ccccc1 ZINC001192603254 1051774943 /nfs/dbraw/zinc/77/49/43/1051774943.db2.gz BOXXQWVZGJVLLF-IBGZPJMESA-N 1 0 342.439 4.449 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccc(N2CCCC2)c1 ZINC001192626993 1051782814 /nfs/dbraw/zinc/78/28/14/1051782814.db2.gz RFKNCXOZXQCUHM-AWEZNQCLSA-N 1 0 343.402 4.185 20 5 EIBDRO C[C@@H]([NH2+]CCOc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC001192672043 1051786849 /nfs/dbraw/zinc/78/68/49/1051786849.db2.gz DQGPTZFEXLDHJI-LLVKDONJSA-N 1 0 338.766 4.117 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(F)c2cccnc12)c1cccc([N+](=O)[O-])c1 ZINC001192672346 1051787873 /nfs/dbraw/zinc/78/78/73/1051787873.db2.gz GROVMPJLCABNRI-GFCCVEGCSA-N 1 0 325.343 4.133 20 5 EIBDRO C[C@H]([NH2+]CCSc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001192674347 1051789558 /nfs/dbraw/zinc/78/95/58/1051789558.db2.gz ZPXMUORUQBELPY-NSHDSACASA-N 1 0 338.379 4.316 20 5 EIBDRO C[C@@H]([NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)c1cccc([N+](=O)[O-])c1 ZINC001192674060 1051790875 /nfs/dbraw/zinc/79/08/75/1051790875.db2.gz VLXTWTYOYNFFLN-DQYPLSBCSA-N 1 0 332.350 4.294 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)nc(Cl)c2)cc1[N+](=O)[O-] ZINC000775550226 1051814170 /nfs/dbraw/zinc/81/41/70/1051814170.db2.gz VZSSYMOLYXPUCU-SNVBAGLBSA-N 1 0 340.210 4.456 20 5 EIBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC001192858833 1051825092 /nfs/dbraw/zinc/82/50/92/1051825092.db2.gz OBMTZHVGUVDJSX-OAHLLOKOSA-N 1 0 336.391 4.478 20 5 EIBDRO CC[C@H]1Cc2ccccc2C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001193117736 1051873063 /nfs/dbraw/zinc/87/30/63/1051873063.db2.gz PJKFXLVNZYYLPE-SFHVURJKSA-N 1 0 340.423 4.201 20 5 EIBDRO CC(C)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001193497561 1051934170 /nfs/dbraw/zinc/93/41/70/1051934170.db2.gz RSFBQJRDXFSJMC-GFCCVEGCSA-N 1 0 330.350 4.482 20 5 EIBDRO CCC(CC)[C@@H](CNc1cc(OC)c([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC001184740619 1052096934 /nfs/dbraw/zinc/09/69/34/1052096934.db2.gz SOXNGMLEXDJMNO-OAHLLOKOSA-N 1 0 343.855 4.035 20 5 EIBDRO C[NH+](C)[C@@H](CNc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001184938709 1052124017 /nfs/dbraw/zinc/12/40/17/1052124017.db2.gz ZMFJQVJNZRISCF-INIZCTEOSA-N 1 0 337.782 4.102 20 5 EIBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+]CC1CCCCC1 ZINC001177076273 1052226308 /nfs/dbraw/zinc/22/63/08/1052226308.db2.gz DEVAQSKFFXZWMA-UHFFFAOYSA-N 1 0 327.222 4.027 20 5 EIBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21 ZINC000112515489 1053026806 /nfs/dbraw/zinc/02/68/06/1053026806.db2.gz XTGTYKQJJCUGMA-VBKZILBWSA-N 1 0 336.391 4.132 20 5 EIBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21 ZINC000112515485 1053027114 /nfs/dbraw/zinc/02/71/14/1053027114.db2.gz XTGTYKQJJCUGMA-XOBRGWDASA-N 1 0 336.391 4.132 20 5 EIBDRO C[C@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000120075468 1053280647 /nfs/dbraw/zinc/28/06/47/1053280647.db2.gz DDCUXIPHOFXNAH-LRDDRELGSA-N 1 0 342.420 4.194 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@H]2C[C@H](O)c3ccccc32)c2cc([N+](=O)[O-])ccc21 ZINC000850526152 1053285679 /nfs/dbraw/zinc/28/56/79/1053285679.db2.gz BEFJPWIQTQCASR-FHWLQOOXSA-N 1 0 338.407 4.085 20 5 EIBDRO CC[C@@H](C)C[N@H+](CC)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159434241 1053342323 /nfs/dbraw/zinc/34/23/23/1053342323.db2.gz DHBABMQPLPYEIP-LLVKDONJSA-N 1 0 329.238 4.225 20 5 EIBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)[C@@H]1CC1(C)C ZINC001195270949 1053354946 /nfs/dbraw/zinc/35/49/46/1053354946.db2.gz XYLUPFUZPRUATH-RYUDHWBXSA-N 1 0 341.249 4.272 20 5 EIBDRO C[C@@]1(Cc2ccccc2F)CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001195464659 1053398256 /nfs/dbraw/zinc/39/82/56/1053398256.db2.gz XZJQCZNPBRCSLG-IBGZPJMESA-N 1 0 346.377 4.470 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000794832455 1053443870 /nfs/dbraw/zinc/44/38/70/1053443870.db2.gz SIXWFSZSRBAVGQ-CCKFTAQKSA-N 1 0 328.412 4.148 20 5 EIBDRO CCC[C@H]([NH2+]C[C@@H](O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000765273579 1053486174 /nfs/dbraw/zinc/48/61/74/1053486174.db2.gz WZZGDHGGCZEXIE-RBUKOAKNSA-N 1 0 328.412 4.068 20 5 EIBDRO Cc1ccc(C2([NH2+]CCCOc3ccc([N+](=O)[O-])cc3)CCC2)cc1 ZINC001195777613 1053486356 /nfs/dbraw/zinc/48/63/56/1053486356.db2.gz KHRDRBSRPLALBF-UHFFFAOYSA-N 1 0 340.423 4.341 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000120648829 1053560268 /nfs/dbraw/zinc/56/02/68/1053560268.db2.gz DIMMOSITEILEFK-DOXZYTNZSA-N 1 0 328.412 4.066 20 5 EIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)ccc1Cl ZINC000852595550 1053594818 /nfs/dbraw/zinc/59/48/18/1053594818.db2.gz IGDIZJNUDQEIIM-WMLDXEAASA-N 1 0 338.835 4.029 20 5 EIBDRO CCC(CC)CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001196506255 1053686380 /nfs/dbraw/zinc/68/63/80/1053686380.db2.gz PQKOEYGMRHMMPP-AWEZNQCLSA-N 1 0 335.448 4.070 20 5 EIBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000866393706 1053713827 /nfs/dbraw/zinc/71/38/27/1053713827.db2.gz PRWWUIUZUOIACD-OLQXHTCTSA-N 1 0 342.361 4.223 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1OC ZINC000866509430 1053758935 /nfs/dbraw/zinc/75/89/35/1053758935.db2.gz YJFGADDHCNANQM-CXAGYDPISA-N 1 0 344.411 4.414 20 5 EIBDRO Cc1cccc([C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C(C)C)c1 ZINC001196781827 1053768554 /nfs/dbraw/zinc/76/85/54/1053768554.db2.gz JKCJHDQJESLXQB-IBGZPJMESA-N 1 0 328.412 4.269 20 5 EIBDRO C[C@@H](C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001196818361 1053780164 /nfs/dbraw/zinc/78/01/64/1053780164.db2.gz JICIULQDQRRDIW-HNNXBMFYSA-N 1 0 347.459 4.072 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000866620984 1053808543 /nfs/dbraw/zinc/80/85/43/1053808543.db2.gz OOVLXGFLAJGQBA-KGLIPLIRSA-N 1 0 339.395 4.408 20 5 EIBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000301427587 1053923342 /nfs/dbraw/zinc/92/33/42/1053923342.db2.gz PLKQTCYXFUCXKV-SJCJKPOMSA-N 1 0 349.431 4.290 20 5 EIBDRO Cc1cc(F)ccc1[C@H](C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC001197610705 1053944663 /nfs/dbraw/zinc/94/46/63/1053944663.db2.gz JAUZSSZVMIEFPI-AWEZNQCLSA-N 1 0 332.375 4.162 20 5 EIBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC001197660396 1053962004 /nfs/dbraw/zinc/96/20/04/1053962004.db2.gz NPUSXRYMCGQCGJ-UGSOOPFHSA-N 1 0 341.367 4.086 20 5 EIBDRO CC(C)(C)OC[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001197629945 1053966688 /nfs/dbraw/zinc/96/66/88/1053966688.db2.gz KTNMTWGRRSYRJR-CQSZACIVSA-N 1 0 326.824 4.028 20 5 EIBDRO C[C@H](COCC1CCCCC1)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001198000669 1054043163 /nfs/dbraw/zinc/04/31/63/1054043163.db2.gz ITROQQGGIMYNNE-CYBMUJFWSA-N 1 0 340.851 4.323 20 5 EIBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC001168570330 1054116475 /nfs/dbraw/zinc/11/64/75/1054116475.db2.gz MWWXAUHFUPBMIS-CMPLNLGQSA-N 1 0 327.222 4.120 20 5 EIBDRO COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC001198289434 1054116437 /nfs/dbraw/zinc/11/64/37/1054116437.db2.gz OKDKGINNPJQYAI-QGZVFWFLSA-N 1 0 340.423 4.372 20 5 EIBDRO Cc1cccnc1[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001198507277 1054179967 /nfs/dbraw/zinc/17/99/67/1054179967.db2.gz JKFCTMGCTMLKQW-GOSISDBHSA-N 1 0 327.428 4.218 20 5 EIBDRO CC[C@@H](C[N@H+](CC)C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000775895884 1054279236 /nfs/dbraw/zinc/27/92/36/1054279236.db2.gz OYWFMUPHHUHFPD-JXFKEZNVSA-N 1 0 342.439 4.144 20 5 EIBDRO CCn1nc(C)c(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)c1C ZINC000872031661 1054349241 /nfs/dbraw/zinc/34/92/41/1054349241.db2.gz LKCVXEOLWQIFDI-NSHDSACASA-N 1 0 348.472 4.001 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000872046428 1054360207 /nfs/dbraw/zinc/36/02/07/1054360207.db2.gz HHURHSCLDFZXMX-ZENOOKHLSA-N 1 0 338.473 4.171 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049642 1054362446 /nfs/dbraw/zinc/36/24/46/1054362446.db2.gz UMBQRISCAQSVQY-ZIAGYGMSSA-N 1 0 336.407 4.266 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000872075517 1054381009 /nfs/dbraw/zinc/38/10/09/1054381009.db2.gz AZRZDWNLAPWYER-ZDUSSCGKSA-N 1 0 331.441 4.179 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000872086800 1054382800 /nfs/dbraw/zinc/38/28/00/1054382800.db2.gz ZPPXXYUOWRTLDP-MZPVMMEZSA-N 1 0 344.436 4.146 20 5 EIBDRO C[C@@H]([NH2+]CCSCCC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872090448 1054385158 /nfs/dbraw/zinc/38/51/58/1054385158.db2.gz BPWXVHCLPWSXJW-SECBINFHSA-N 1 0 340.342 4.070 20 5 EIBDRO CCSc1cc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)ccn1 ZINC000873109041 1054487234 /nfs/dbraw/zinc/48/72/34/1054487234.db2.gz CAROIMJYTJQIAJ-UHFFFAOYSA-N 1 0 331.441 4.008 20 5 EIBDRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000873183721 1054503452 /nfs/dbraw/zinc/50/34/52/1054503452.db2.gz DLRHZKZIEIHBMP-AWEZNQCLSA-N 1 0 344.411 4.243 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000873183292 1054503789 /nfs/dbraw/zinc/50/37/89/1054503789.db2.gz BVZUTWZQYZOXHL-LBPRGKRZSA-N 1 0 336.338 4.090 20 5 EIBDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1OCC ZINC000873183704 1054503878 /nfs/dbraw/zinc/50/38/78/1054503878.db2.gz CBRAWMNKANVFMV-AWEZNQCLSA-N 1 0 344.411 4.243 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(Cl)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858581636 1054529470 /nfs/dbraw/zinc/52/94/70/1054529470.db2.gz HJNWDESREZKSQO-QLJPJBMISA-N 1 0 331.803 4.169 20 5 EIBDRO C[NH+](C)Cc1cccc(Nc2cc3nc4ccccc4nc3cc2N)c1 ZINC001201397134 1054773859 /nfs/dbraw/zinc/77/38/59/1054773859.db2.gz OAGBJQVAQUTJKE-UHFFFAOYSA-N 1 0 343.434 4.170 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CC(OCc2ccccc2)C1 ZINC001201900572 1054938029 /nfs/dbraw/zinc/93/80/29/1054938029.db2.gz HJFGIFIGLZCXCP-UHFFFAOYSA-N 1 0 340.423 4.049 20 5 EIBDRO CC(C)(C)[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000876991127 1054994197 /nfs/dbraw/zinc/99/41/97/1054994197.db2.gz IBRHMVQHTVSJAH-VMBOVVBDSA-N 1 0 346.406 4.011 20 5 EIBDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000877073204 1055013632 /nfs/dbraw/zinc/01/36/32/1055013632.db2.gz FNFKEUYQNRGZHO-QIPPXTIRSA-N 1 0 342.376 4.277 20 5 EIBDRO CC(C)(C)CC[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001202158658 1055062937 /nfs/dbraw/zinc/06/29/37/1055062937.db2.gz OKNLUVLUYBJMSN-CQSZACIVSA-N 1 0 346.427 4.132 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccccn2)C2CCC2)cc1Cl ZINC000862478003 1055072141 /nfs/dbraw/zinc/07/21/41/1055072141.db2.gz PXOIHDQPKCHNFC-QGZVFWFLSA-N 1 0 331.803 4.274 20 5 EIBDRO CCc1ccc([C@@H](O)C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC001202356891 1055149250 /nfs/dbraw/zinc/14/92/50/1055149250.db2.gz MNJCPLNXNQXHER-FQEVSTJZSA-N 1 0 342.439 4.104 20 5 EIBDRO CC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCCC[C@@H]1C ZINC000878474783 1055320286 /nfs/dbraw/zinc/32/02/86/1055320286.db2.gz FMQOIDIXOVZRKL-DZGCQCFKSA-N 1 0 344.415 4.045 20 5 EIBDRO CC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCCC[C@H]1C ZINC000878474789 1055320325 /nfs/dbraw/zinc/32/03/25/1055320325.db2.gz FMQOIDIXOVZRKL-UKRRQHHQSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000765806345 1055401715 /nfs/dbraw/zinc/40/17/15/1055401715.db2.gz BUOKCLJDVKQINA-ACJLOTCBSA-N 1 0 348.830 4.115 20 5 EIBDRO CC[C@@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000765807734 1055439372 /nfs/dbraw/zinc/43/93/72/1055439372.db2.gz HITKFEBHAGIOCB-MSOLQXFVSA-N 1 0 348.830 4.197 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000765811857 1055472017 /nfs/dbraw/zinc/47/20/17/1055472017.db2.gz VUFXFTBHFNJIOU-UGSOOPFHSA-N 1 0 348.830 4.115 20 5 EIBDRO Cc1ccc([C@@H](C)NCc2ncccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000091062123 1055511274 /nfs/dbraw/zinc/51/12/74/1055511274.db2.gz UBIXVVUPDMAPRU-LLVKDONJSA-N 1 0 339.317 4.168 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000765817676 1055552532 /nfs/dbraw/zinc/55/25/32/1055552532.db2.gz PNSDGTDZIWQKAJ-FZKQIMNGSA-N 1 0 348.830 4.115 20 5 EIBDRO Cc1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301476420 1055577477 /nfs/dbraw/zinc/57/74/77/1055577477.db2.gz OJSVWTHSLBZLFM-CQSZACIVSA-N 1 0 337.851 4.011 20 5 EIBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H](C)c1ccccc1 ZINC000542701514 1055842538 /nfs/dbraw/zinc/84/25/38/1055842538.db2.gz FVOIFGXROKMWJA-MRXNPFEDSA-N 1 0 328.412 4.113 20 5 EIBDRO Cc1ccc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000542704996 1055848843 /nfs/dbraw/zinc/84/88/43/1055848843.db2.gz JVOGSEWCPXXUJD-VQTJNVASSA-N 1 0 340.423 4.222 20 5 EIBDRO CC(C)C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000765849845 1055914443 /nfs/dbraw/zinc/91/44/43/1055914443.db2.gz RSKZTPLFMSVLCL-CVEARBPZSA-N 1 0 334.441 4.067 20 5 EIBDRO COc1ccccc1/C=C\C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000462762292 1056325962 /nfs/dbraw/zinc/32/59/62/1056325962.db2.gz LNTHFLZYTZJQKO-TWGQIWQCSA-N 1 0 340.423 4.229 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(CC)(CC)SC ZINC000742387927 1058588942 /nfs/dbraw/zinc/58/89/42/1058588942.db2.gz IWWKWLQAXMYCCK-UHFFFAOYSA-N 1 0 326.462 4.005 20 5 EIBDRO Cc1ccc(N2CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000743843592 1059136421 /nfs/dbraw/zinc/13/64/21/1059136421.db2.gz YXRHXTQKOMJUSI-QGZVFWFLSA-N 1 0 339.439 4.177 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000743851892 1059155586 /nfs/dbraw/zinc/15/55/86/1059155586.db2.gz GWAAZAKTPJOBON-MRXNPFEDSA-N 1 0 338.835 4.172 20 5 EIBDRO Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000746049730 1059984352 /nfs/dbraw/zinc/98/43/52/1059984352.db2.gz WZYZWRVNSLSAAL-WMZOPIPTSA-N 1 0 339.439 4.223 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccc(Oc3ccccc3)cc2)C1 ZINC001168965672 1060560084 /nfs/dbraw/zinc/56/00/84/1060560084.db2.gz BWZMMEXUCGGOPS-ZWKOTPCHSA-N 1 0 340.423 4.056 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(CC3CCC3)CCC(F)(F)CC2)C1 ZINC001168997967 1060571992 /nfs/dbraw/zinc/57/19/92/1060571992.db2.gz GWTJOIANRABZBG-CABCVRRESA-N 1 0 330.419 4.160 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC001168997491 1060572096 /nfs/dbraw/zinc/57/20/96/1060572096.db2.gz ZXLCYVQNWHBQML-GLQYFDAESA-N 1 0 330.350 4.192 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)C1 ZINC001169033202 1060587832 /nfs/dbraw/zinc/58/78/32/1060587832.db2.gz BIYHWJQPDBYGNP-SCWSEQNSSA-N 1 0 336.435 4.080 20 5 EIBDRO CC(C)(C)Oc1ccc([C@@H]2CC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)cc1 ZINC001169055820 1060610257 /nfs/dbraw/zinc/61/02/57/1060610257.db2.gz QOGQSFIXGXMLTK-JQHSSLGASA-N 1 0 346.471 4.099 20 5 EIBDRO CCC[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1cccc([N+](=O)[O-])c1 ZINC000766590041 1060634183 /nfs/dbraw/zinc/63/41/83/1060634183.db2.gz RKKXLYQBBUNBAX-MRXNPFEDSA-N 1 0 333.819 4.317 20 5 EIBDRO CC1(C)C[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169150662 1060667828 /nfs/dbraw/zinc/66/78/28/1060667828.db2.gz CVEVUMJKQCSHJF-ORAYPTAESA-N 1 0 342.443 4.099 20 5 EIBDRO CCC1(CC)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001169301155 1060761089 /nfs/dbraw/zinc/76/10/89/1060761089.db2.gz SRMSHIKONUFOSB-UHFFFAOYSA-N 1 0 330.432 4.263 20 5 EIBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc2cnccc2c1[N+](=O)[O-] ZINC001169692434 1060902587 /nfs/dbraw/zinc/90/25/87/1060902587.db2.gz SZCHORSSCIHALM-KRWDZBQOSA-N 1 0 348.406 4.383 20 5 EIBDRO COc1cc(C)c([N+](=O)[O-])cc1N1CCC[C@H]([NH3+])c2cc(C)ccc21 ZINC001169698349 1060903832 /nfs/dbraw/zinc/90/38/32/1060903832.db2.gz PTIBAMGDBJJVGF-HNNXBMFYSA-N 1 0 341.411 4.152 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001169834166 1060990375 /nfs/dbraw/zinc/99/03/75/1060990375.db2.gz VCWBSAPJNVYMJN-ZDUSSCGKSA-N 1 0 334.778 4.377 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001169834165 1060991053 /nfs/dbraw/zinc/99/10/53/1060991053.db2.gz VCWBSAPJNVYMJN-CYBMUJFWSA-N 1 0 334.778 4.377 20 5 EIBDRO CCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000532193626 1032081136 /nfs/dbraw/zinc/08/11/36/1032081136.db2.gz YEYVRGNPDOUULM-AWEZNQCLSA-N 1 0 341.411 4.103 20 5 EIBDRO COc1ccc(C)cc1CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000532200322 1032086031 /nfs/dbraw/zinc/08/60/31/1032086031.db2.gz IIGHXJSWCLBVHB-OAHLLOKOSA-N 1 0 328.412 4.114 20 5 EIBDRO C[C@H]([NH2+][C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000532218801 1032098665 /nfs/dbraw/zinc/09/86/65/1032098665.db2.gz XYAVKHIHHYPDQM-FASAQXTFSA-N 1 0 344.386 4.305 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCC(F)(F)F ZINC000504905363 1032536614 /nfs/dbraw/zinc/53/66/14/1032536614.db2.gz HMOBWUGVKSSRQW-NSHDSACASA-N 1 0 336.379 4.398 20 5 EIBDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000475742975 1032555317 /nfs/dbraw/zinc/55/53/17/1032555317.db2.gz VNJIWMRBVHCOEJ-MGPQQGTHSA-N 1 0 329.400 4.116 20 5 EIBDRO CC[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000509532293 1032783857 /nfs/dbraw/zinc/78/38/57/1032783857.db2.gz JKTUIBDJVKWABB-ZDUSSCGKSA-N 1 0 331.441 4.340 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000430200103 1019245478 /nfs/dbraw/zinc/24/54/78/1019245478.db2.gz FMJLLOHRHWXIQS-LLVKDONJSA-N 1 0 343.408 4.064 20 5 EIBDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000157584726 1019495305 /nfs/dbraw/zinc/49/53/05/1019495305.db2.gz HVQCVUPVVKEIDZ-IHRRRGAJSA-N 1 0 348.468 4.381 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000430244067 1019595057 /nfs/dbraw/zinc/59/50/57/1019595057.db2.gz WGBSFWRTOFXROJ-GOSISDBHSA-N 1 0 328.412 4.480 20 5 EIBDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120729401 1020107469 /nfs/dbraw/zinc/10/74/69/1020107469.db2.gz BMAZQIHIYWDVKD-CJNGLKHVSA-N 1 0 344.415 4.045 20 5 EIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)c1ccc(F)cc1 ZINC001167132125 1020309355 /nfs/dbraw/zinc/30/93/55/1020309355.db2.gz XNAGHOYQGBCAOE-ZDUSSCGKSA-N 1 0 332.375 4.326 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC(C2CC2)C2CC2)o1 ZINC000610271887 1020834101 /nfs/dbraw/zinc/83/41/01/1020834101.db2.gz ILJITGLSVJUQMB-UHFFFAOYSA-N 1 0 326.396 4.381 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](C2CC2)C2CCCC2)c(Br)c1 ZINC001167363498 1021732326 /nfs/dbraw/zinc/73/23/26/1021732326.db2.gz AJTAOQHPOPUOIH-UHFFFAOYSA-N 1 0 339.233 4.264 20 5 EIBDRO C[C@]1(c2ccccc2)CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001167368567 1021773055 /nfs/dbraw/zinc/77/30/55/1021773055.db2.gz ZCTHSKMPDQQBSU-IBGZPJMESA-N 1 0 328.387 4.288 20 5 EIBDRO CC[C@@H]1CCCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000580604607 1021806746 /nfs/dbraw/zinc/80/67/46/1021806746.db2.gz LRVXCNIESYCVFH-MRXNPFEDSA-N 1 0 343.427 4.447 20 5 EIBDRO Cc1cc([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)o1 ZINC000581393065 1021850360 /nfs/dbraw/zinc/85/03/60/1021850360.db2.gz CWQZJZMFKWGFMU-GFCCVEGCSA-N 1 0 327.384 4.179 20 5 EIBDRO C[C@@H]([NH2+]C1CC(c2cc(F)cc(F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000581515164 1021860020 /nfs/dbraw/zinc/86/00/20/1021860020.db2.gz DFZBEIOIQNQOJG-ACCOQDJYSA-N 1 0 332.350 4.470 20 5 EIBDRO COC1CCC([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000414167832 1022013809 /nfs/dbraw/zinc/01/38/09/1022013809.db2.gz HHISXUGYFPRMPY-LYBXBRPPSA-N 1 0 340.423 4.231 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCC(C(F)F)CC1)C1CC1 ZINC000414170253 1022022270 /nfs/dbraw/zinc/02/22/70/1022022270.db2.gz BUMUDJWHRXOEBS-BCLQGDPASA-N 1 0 338.398 4.329 20 5 EIBDRO CCCC[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000236806301 1022090891 /nfs/dbraw/zinc/09/08/91/1022090891.db2.gz CORNRTCEJXRDDA-UHFFFAOYSA-N 1 0 344.411 4.072 20 5 EIBDRO COc1c(O)ccc(C[NH2+][C@H](c2ccccc2)C(C)(C)C)c1[N+](=O)[O-] ZINC000892562141 1022180954 /nfs/dbraw/zinc/18/09/54/1022180954.db2.gz XROGBIQGVDBQBN-GOSISDBHSA-N 1 0 344.411 4.186 20 5 EIBDRO CC[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)OC ZINC000580643734 1022339786 /nfs/dbraw/zinc/33/97/86/1022339786.db2.gz GQCDUMOVKVHZLE-GFCCVEGCSA-N 1 0 338.791 4.023 20 5 EIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000247291613 1022443637 /nfs/dbraw/zinc/44/36/37/1022443637.db2.gz BGSZOHZAVSQTDJ-UHFFFAOYSA-N 1 0 345.830 4.325 20 5 EIBDRO CSc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000549684530 1033057863 /nfs/dbraw/zinc/05/78/63/1033057863.db2.gz ZBOJQUUVNKXFQM-KRWDZBQOSA-N 1 0 331.441 4.032 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)nc21)c1cccc([N+](=O)[O-])c1 ZINC000378186486 1022489908 /nfs/dbraw/zinc/48/99/08/1022489908.db2.gz XPKKFKZCPILELX-FUHWJXTLSA-N 1 0 342.443 4.108 20 5 EIBDRO CC(C)OCc1ccccc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580783232 1022501602 /nfs/dbraw/zinc/50/16/02/1022501602.db2.gz GKAARRFORKHVJM-IBGZPJMESA-N 1 0 340.423 4.297 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000468649135 1022514840 /nfs/dbraw/zinc/51/48/40/1022514840.db2.gz OERYNYQBHSLBJA-LCYFTJDESA-N 1 0 348.349 4.389 20 5 EIBDRO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c2c(n1)CCCC2 ZINC000892623692 1022609462 /nfs/dbraw/zinc/60/94/62/1022609462.db2.gz ZQQPGJXKFSNZAG-AWEZNQCLSA-N 1 0 325.412 4.028 20 5 EIBDRO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c2c(n1)CCCC2 ZINC000892623693 1022612180 /nfs/dbraw/zinc/61/21/80/1022612180.db2.gz ZQQPGJXKFSNZAG-CQSZACIVSA-N 1 0 325.412 4.028 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414343355 1022655755 /nfs/dbraw/zinc/65/57/55/1022655755.db2.gz JQUDXWXUWUPGSS-PQEBFOHHSA-N 1 0 326.396 4.045 20 5 EIBDRO Cc1c([C@H](C)[NH2+]Cc2cc(Cl)cc3c2OCC3)cccc1[N+](=O)[O-] ZINC000186613385 1022694632 /nfs/dbraw/zinc/69/46/32/1022694632.db2.gz PDWNEQWCSZNJRT-LBPRGKRZSA-N 1 0 346.814 4.342 20 5 EIBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001167443291 1022808075 /nfs/dbraw/zinc/80/80/75/1022808075.db2.gz RMDQIBORKPLOPS-QZTJIDSGSA-N 1 0 334.460 4.053 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H]2CCCS2)c2ccccc2)c1 ZINC000180753309 1022812604 /nfs/dbraw/zinc/81/26/04/1022812604.db2.gz LQPDSNLNCRADJR-MSOLQXFVSA-N 1 0 328.437 4.169 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000177926814 1022846962 /nfs/dbraw/zinc/84/69/62/1022846962.db2.gz WOFAMOJZNCAHKJ-OLZOCXBDSA-N 1 0 332.425 4.153 20 5 EIBDRO Cc1cc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000311184016 1022924449 /nfs/dbraw/zinc/92/44/49/1022924449.db2.gz BEPNMHOTBOCMJL-GOSISDBHSA-N 1 0 339.439 4.227 20 5 EIBDRO COc1ccc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000471643255 1022991729 /nfs/dbraw/zinc/99/17/29/1022991729.db2.gz PORINZHMHHHTRN-GFCCVEGCSA-N 1 0 334.803 4.150 20 5 EIBDRO C[C@@H](NCc1cnc(CC(F)(F)F)s1)c1ccccc1[N+](=O)[O-] ZINC000893278171 1023045338 /nfs/dbraw/zinc/04/53/38/1023045338.db2.gz BBPVIRWAKSGJBU-SECBINFHSA-N 1 0 345.346 4.007 20 5 EIBDRO CC[C@@H]([NH2+][C@@H]1CCOc2c(C)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000189375539 1023056149 /nfs/dbraw/zinc/05/61/49/1023056149.db2.gz FBEHHNYPDFQUJN-QZTJIDSGSA-N 1 0 326.396 4.468 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000247339361 1023164488 /nfs/dbraw/zinc/16/44/88/1023164488.db2.gz RRYONIODJDASRC-UHFFFAOYSA-N 1 0 335.407 4.456 20 5 EIBDRO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000150900612 1023256209 /nfs/dbraw/zinc/25/62/09/1023256209.db2.gz JFGBCJWRSKKTIV-YOEHRIQHSA-N 1 0 345.468 4.144 20 5 EIBDRO CCc1cnc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000417314568 1023260073 /nfs/dbraw/zinc/26/00/73/1023260073.db2.gz RJYUCXAHGNVGET-INIZCTEOSA-N 1 0 331.441 4.171 20 5 EIBDRO Cc1nc(C)c(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000417317951 1023263221 /nfs/dbraw/zinc/26/32/21/1023263221.db2.gz XSSWJCASDYPXDR-INIZCTEOSA-N 1 0 331.441 4.225 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cnc(C3CC3)o1)CCCC2 ZINC000417324550 1023265531 /nfs/dbraw/zinc/26/55/31/1023265531.db2.gz AKEZZDINIWHLGC-KRWDZBQOSA-N 1 0 327.384 4.018 20 5 EIBDRO CCc1noc(C)c1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417324963 1023266700 /nfs/dbraw/zinc/26/67/00/1023266700.db2.gz AVPFTIPTPVUJCG-GOSISDBHSA-N 1 0 329.400 4.011 20 5 EIBDRO Cc1cc(C)c(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000417351225 1023276127 /nfs/dbraw/zinc/27/61/27/1023276127.db2.gz RMLXQLIFSMMWHX-LJQANCHMSA-N 1 0 325.412 4.164 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@H]2COCc3ccccc32)c2cc([N+](=O)[O-])ccc21 ZINC000417372739 1023293911 /nfs/dbraw/zinc/29/39/11/1023293911.db2.gz XLCVIUYXBXASTN-OALUTQOASA-N 1 0 338.407 4.178 20 5 EIBDRO CC(C)(C)OC(=O)CCCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566473902 1023300205 /nfs/dbraw/zinc/30/02/05/1023300205.db2.gz DYLMPYVIAASRMW-MRXNPFEDSA-N 1 0 348.443 4.074 20 5 EIBDRO CC[C@H](C)[C@H](C)[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000566519259 1023446075 /nfs/dbraw/zinc/44/60/75/1023446075.db2.gz IENNQEDZMBTLPV-ZFWWWQNUSA-N 1 0 347.459 4.131 20 5 EIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccncc1 ZINC000610517893 1023461205 /nfs/dbraw/zinc/46/12/05/1023461205.db2.gz YMUWLBWZAWBGHM-AWEZNQCLSA-N 1 0 337.379 4.143 20 5 EIBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132322 1023467992 /nfs/dbraw/zinc/46/79/92/1023467992.db2.gz XZLPSWRFGQBTNM-UYAOXDASSA-N 1 0 340.423 4.195 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C3CC3)cc2)cc1[N+](=O)[O-] ZINC000418107787 1023534574 /nfs/dbraw/zinc/53/45/74/1023534574.db2.gz FCELYSQPZKIZJE-ZDUSSCGKSA-N 1 0 326.396 4.332 20 5 EIBDRO COCCCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000418134795 1023551427 /nfs/dbraw/zinc/55/14/27/1023551427.db2.gz ODLKVAYPFIDGTN-UHFFFAOYSA-N 1 0 334.441 4.182 20 5 EIBDRO COCCCC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178106507 1023612422 /nfs/dbraw/zinc/61/24/22/1023612422.db2.gz UXMVOSXJPFSBPZ-ZDUSSCGKSA-N 1 0 334.441 4.401 20 5 EIBDRO CCOCc1ccccc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000122642136 1023749008 /nfs/dbraw/zinc/74/90/08/1023749008.db2.gz HWDUDNOUFHOSEP-OAHLLOKOSA-N 1 0 328.412 4.291 20 5 EIBDRO CC(C)[NH+](CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(C)C ZINC000319559107 1023783835 /nfs/dbraw/zinc/78/38/35/1023783835.db2.gz OVTJPIANSZLITG-UHFFFAOYSA-N 1 0 333.354 4.144 20 5 EIBDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000566820626 1023827621 /nfs/dbraw/zinc/82/76/21/1023827621.db2.gz ROQSSRGAFPGBGX-WBMJQRKESA-N 1 0 339.395 4.125 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000178281859 1023886816 /nfs/dbraw/zinc/88/68/16/1023886816.db2.gz VRWWTKWYFBMKSG-GFCCVEGCSA-N 1 0 336.338 4.355 20 5 EIBDRO O=[N+]([O-])c1cccc(CC[NH2+]C2CC(c3ccccc3Cl)C2)c1 ZINC000511827156 1023919956 /nfs/dbraw/zinc/91/99/56/1023919956.db2.gz UPVVNGPAJMVONP-UHFFFAOYSA-N 1 0 330.815 4.327 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCc4c3cccc4F)c2c1 ZINC000581967574 1023944626 /nfs/dbraw/zinc/94/46/26/1023944626.db2.gz XQMCVZBLRFDBGI-GOSISDBHSA-N 1 0 339.370 4.035 20 5 EIBDRO COc1ccc(CCC[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000108722227 1024074605 /nfs/dbraw/zinc/07/46/05/1024074605.db2.gz KELRKEYZKGPRBV-OAHLLOKOSA-N 1 0 328.412 4.229 20 5 EIBDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000510976446 1024873327 /nfs/dbraw/zinc/87/33/27/1024873327.db2.gz MLOPCGKTLDQAKN-SJKOYZFVSA-N 1 0 344.386 4.389 20 5 EIBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)[nH]n1 ZINC000610821169 1025053863 /nfs/dbraw/zinc/05/38/63/1025053863.db2.gz RVYRMKCQIZUZFB-LBPRGKRZSA-N 1 0 342.424 4.206 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000121762165 1025283533 /nfs/dbraw/zinc/28/35/33/1025283533.db2.gz UHBWOXCVUVEKMY-OLZOCXBDSA-N 1 0 328.368 4.044 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000121762476 1025284930 /nfs/dbraw/zinc/28/49/30/1025284930.db2.gz UHBWOXCVUVEKMY-CHWSQXEVSA-N 1 0 328.368 4.044 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000549830665 1033272211 /nfs/dbraw/zinc/27/22/11/1033272211.db2.gz VAWALAXGKDPCDN-INIZCTEOSA-N 1 0 338.329 4.421 20 5 EIBDRO O=[N+]([O-])c1cccc(Cl)c1NCc1ccnc(N2CCCCC2)c1 ZINC000432317174 1025306306 /nfs/dbraw/zinc/30/63/06/1025306306.db2.gz GEBOHGOEFHMNTI-UHFFFAOYSA-N 1 0 346.818 4.246 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000302737758 1025645861 /nfs/dbraw/zinc/64/58/61/1025645861.db2.gz GJNJHHREUJLULI-LBPRGKRZSA-N 1 0 336.338 4.389 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)cc(C(F)(F)F)c1 ZINC000511027877 1025668358 /nfs/dbraw/zinc/66/83/58/1025668358.db2.gz JIFWHZFGMFDIRP-CABCVRRESA-N 1 0 328.334 4.282 20 5 EIBDRO Cc1cccnc1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000106481309 1025726300 /nfs/dbraw/zinc/72/63/00/1025726300.db2.gz MXKTXBVVCWUYRI-UHFFFAOYSA-N 1 0 339.420 4.317 20 5 EIBDRO COc1ccc(C2([NH2+]Cc3cccc([N+](=O)[O-])c3)CCCC2)cc1 ZINC000072961005 1025758628 /nfs/dbraw/zinc/75/86/28/1025758628.db2.gz OWMSHOGCKKZRFL-UHFFFAOYSA-N 1 0 326.396 4.163 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CCOC)C(C)(C)C)cc1[N+](=O)[O-] ZINC000511035057 1025770194 /nfs/dbraw/zinc/77/01/94/1025770194.db2.gz SDMAREPUQNBJBL-SUMWQHHRSA-N 1 0 338.448 4.095 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CCOC)C(C)(C)C)cc1[N+](=O)[O-] ZINC000511035056 1025771635 /nfs/dbraw/zinc/77/16/35/1025771635.db2.gz SDMAREPUQNBJBL-GUYCJALGSA-N 1 0 338.448 4.095 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000511036395 1025773583 /nfs/dbraw/zinc/77/35/83/1025773583.db2.gz FUCMRFVPNHTHHO-SUNYJGFJSA-N 1 0 343.402 4.191 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[N@H+](Cc2ccco2)Cc2cccs2)cc1 ZINC000071952255 1025855980 /nfs/dbraw/zinc/85/59/80/1025855980.db2.gz NJJJOJYAPMWIJO-UHFFFAOYSA-N 1 0 342.420 4.494 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432425827 1025921079 /nfs/dbraw/zinc/92/10/79/1025921079.db2.gz OABZKMZMFXWEKM-HJOIGYKYSA-N 1 0 348.487 4.489 20 5 EIBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2ccsc2S1 ZINC000344090274 1025997821 /nfs/dbraw/zinc/99/78/21/1025997821.db2.gz LYTSNPAGJLXEAE-RISCZKNCSA-N 1 0 334.466 4.414 20 5 EIBDRO CCC[C@H]([NH2+]Cc1ccc(OC)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000178530455 1026038827 /nfs/dbraw/zinc/03/88/27/1026038827.db2.gz CYCYILVQLJNYFT-KRWDZBQOSA-N 1 0 332.375 4.374 20 5 EIBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001167543909 1026040730 /nfs/dbraw/zinc/04/07/30/1026040730.db2.gz GOHSMZKVJJCTDI-AWEZNQCLSA-N 1 0 341.249 4.368 20 5 EIBDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000157814068 1026067059 /nfs/dbraw/zinc/06/70/59/1026067059.db2.gz BIRDNICYKFHDLK-CYBMUJFWSA-N 1 0 330.432 4.014 20 5 EIBDRO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000283090991 1026198538 /nfs/dbraw/zinc/19/85/38/1026198538.db2.gz LGIAKXVEMMMAOT-CYBMUJFWSA-N 1 0 332.375 4.372 20 5 EIBDRO CCOc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)ccc1OC ZINC000168816874 1026211698 /nfs/dbraw/zinc/21/16/98/1026211698.db2.gz SKFCYYUOEOLIJB-CQSZACIVSA-N 1 0 344.411 4.161 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(OC3CCCC3)cc2)cc1 ZINC000551569811 1026219586 /nfs/dbraw/zinc/21/95/86/1026219586.db2.gz YRHQSGXGAAYPGJ-UHFFFAOYSA-N 1 0 326.396 4.206 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1c[nH]c2ccccc12)C1CC1 ZINC000151308699 1026325886 /nfs/dbraw/zinc/32/58/86/1026325886.db2.gz DXUPCWZYHSRPFT-FQEVSTJZSA-N 1 0 349.434 4.230 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000158212364 1026363436 /nfs/dbraw/zinc/36/34/36/1026363436.db2.gz ZBWQQLRIFCHHHK-MDYRTPRTSA-N 1 0 340.423 4.474 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000158218303 1026368191 /nfs/dbraw/zinc/36/81/91/1026368191.db2.gz QWCLOKPNJLKKIH-YJLNNSPDSA-N 1 0 326.396 4.166 20 5 EIBDRO CCC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000540590485 1026416006 /nfs/dbraw/zinc/41/60/06/1026416006.db2.gz MKBWBZYEHQOBOV-MRXNPFEDSA-N 1 0 347.459 4.180 20 5 EIBDRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000478501736 1026571721 /nfs/dbraw/zinc/57/17/21/1026571721.db2.gz RZGKIGJIDLIWPI-SFHVURJKSA-N 1 0 340.423 4.424 20 5 EIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1CCC(C(F)(F)F)CC1 ZINC000511127951 1026646781 /nfs/dbraw/zinc/64/67/81/1026646781.db2.gz YJXYFRYRIWKJHG-UHFFFAOYSA-N 1 0 344.377 4.438 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934561621 1026876981 /nfs/dbraw/zinc/87/69/81/1026876981.db2.gz GDXADMSFMQWFSP-GJZGRUSLSA-N 1 0 342.443 4.312 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178640767 1026968660 /nfs/dbraw/zinc/96/86/60/1026968660.db2.gz WSYBPEQEAOIOBN-LLVKDONJSA-N 1 0 340.301 4.344 20 5 EIBDRO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000611554146 1027009837 /nfs/dbraw/zinc/00/98/37/1027009837.db2.gz GDKVGHJYGUSMTG-STQMWFEESA-N 1 0 346.349 4.027 20 5 EIBDRO CCOC1CC(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000188787755 1027260730 /nfs/dbraw/zinc/26/07/30/1027260730.db2.gz GGULZOSRLDVHCP-UHFFFAOYSA-N 1 0 344.411 4.150 20 5 EIBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310795438 1027405003 /nfs/dbraw/zinc/40/50/03/1027405003.db2.gz FMJFBTAOYQTWLC-ZBFHGGJFSA-N 1 0 343.402 4.056 20 5 EIBDRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000441414662 1027536055 /nfs/dbraw/zinc/53/60/55/1027536055.db2.gz KLKOCZBFQMTZAV-ZDUSSCGKSA-N 1 0 348.830 4.320 20 5 EIBDRO Cc1c(C[NH+]2CCC(COc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000065612475 1027563335 /nfs/dbraw/zinc/56/33/35/1027563335.db2.gz SUZGBXCKYLCMSV-UHFFFAOYSA-N 1 0 340.423 4.194 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([S@](C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000161620113 1027648104 /nfs/dbraw/zinc/64/81/04/1027648104.db2.gz LWQUDEXYKCAQAB-ADCPOJHVSA-N 1 0 346.452 4.134 20 5 EIBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000444661628 1027930989 /nfs/dbraw/zinc/93/09/89/1027930989.db2.gz IDZKVAFETDMAGP-GUYCJALGSA-N 1 0 329.400 4.260 20 5 EIBDRO Cc1ccccc1[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000444685750 1027944471 /nfs/dbraw/zinc/94/44/71/1027944471.db2.gz AXARTRAJZWOBSI-IBGZPJMESA-N 1 0 338.411 4.266 20 5 EIBDRO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCCC[C@@H]1C ZINC000444674945 1027957664 /nfs/dbraw/zinc/95/76/64/1027957664.db2.gz KZNCXFNLAAKULX-XJKSGUPXSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1ccccc1[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444689373 1027973185 /nfs/dbraw/zinc/97/31/85/1027973185.db2.gz NEILXNCDCRHTON-IBGZPJMESA-N 1 0 336.395 4.020 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000248786445 1028144862 /nfs/dbraw/zinc/14/48/62/1028144862.db2.gz IJAZUMKDXJZRLG-POZUXBRTSA-N 1 0 326.396 4.166 20 5 EIBDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000508514274 1028226385 /nfs/dbraw/zinc/22/63/85/1028226385.db2.gz VQEAWBHVIRHEEJ-UHFFFAOYSA-N 1 0 341.411 4.079 20 5 EIBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cccc(OC)c1 ZINC000523702140 1028325565 /nfs/dbraw/zinc/32/55/65/1028325565.db2.gz XMZOOZKGFFIVLY-HNNXBMFYSA-N 1 0 328.412 4.229 20 5 EIBDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000524252170 1028815017 /nfs/dbraw/zinc/81/50/17/1028815017.db2.gz DHIYEDBSZKHACB-CYBMUJFWSA-N 1 0 346.814 4.246 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248669095 1029133930 /nfs/dbraw/zinc/13/39/30/1029133930.db2.gz AMRLLNXEWUFIGY-QRWLVFNGSA-N 1 0 338.407 4.096 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000278423839 1029177866 /nfs/dbraw/zinc/17/78/66/1029177866.db2.gz IUZABWIZIMRRCU-SFHVURJKSA-N 1 0 325.412 4.110 20 5 EIBDRO Cc1c(C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)cccc1[N+](=O)[O-] ZINC000524755988 1029205445 /nfs/dbraw/zinc/20/54/45/1029205445.db2.gz FLOBTYSKUANYRX-HXUWFJFHSA-N 1 0 339.439 4.306 20 5 EIBDRO COCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000508560001 1029266763 /nfs/dbraw/zinc/26/67/63/1029266763.db2.gz HOMRYSRUGHCWAR-INIZCTEOSA-N 1 0 328.412 4.113 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000475281501 1029495560 /nfs/dbraw/zinc/49/55/60/1029495560.db2.gz PNBGXSSKBMLFIJ-SEOWSWFZSA-N 1 0 328.334 4.271 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc2ncccc2c1 ZINC000475333026 1029559156 /nfs/dbraw/zinc/55/91/56/1029559156.db2.gz RRHFCZBBGXFFGC-XNTDXEJSSA-N 1 0 333.391 4.336 20 5 EIBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000446974783 1029655564 /nfs/dbraw/zinc/65/55/64/1029655564.db2.gz LTENSNQEQGBUKW-CYBMUJFWSA-N 1 0 330.350 4.493 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000584402491 1029822159 /nfs/dbraw/zinc/82/21/59/1029822159.db2.gz WVWPKEILIGOAFO-LLGZUXRYSA-N 1 0 342.361 4.237 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCOc2c(F)cccc21 ZINC000584420419 1029841977 /nfs/dbraw/zinc/84/19/77/1029841977.db2.gz HYYDWMBRRJOWJV-SJORKVTESA-N 1 0 342.370 4.225 20 5 EIBDRO C[C@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000090804341 1029869475 /nfs/dbraw/zinc/86/94/75/1029869475.db2.gz NOWNRGXJCVYGCV-BXWFABGCSA-N 1 0 340.423 4.413 20 5 EIBDRO C[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000093920710 1030000930 /nfs/dbraw/zinc/00/09/30/1030000930.db2.gz PVWRTXKTGNCVSN-IUDNXUCKSA-N 1 0 348.443 4.146 20 5 EIBDRO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447535492 1030137915 /nfs/dbraw/zinc/13/79/15/1030137915.db2.gz GOJPXYPDEIOURH-VBKZILBWSA-N 1 0 340.423 4.289 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1(c3ccc(F)cc3)CC1)CCC2 ZINC000447586795 1030187158 /nfs/dbraw/zinc/18/71/58/1030187158.db2.gz OUAYUHDRXUZVTD-GOSISDBHSA-N 1 0 326.371 4.390 20 5 EIBDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447589242 1030193504 /nfs/dbraw/zinc/19/35/04/1030193504.db2.gz XIJCYFLFARYAJN-IPELMVKDSA-N 1 0 332.444 4.013 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1[C@@H]3Cc4ccccc4[C@H]13)CCC2 ZINC000447576216 1030202821 /nfs/dbraw/zinc/20/28/21/1030202821.db2.gz XBDZWQIACXUPKM-BQJUDKOJSA-N 1 0 334.419 4.148 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000526117324 1030288107 /nfs/dbraw/zinc/28/81/07/1030288107.db2.gz PLAPOFXNMSBTOX-DLBZAZTESA-N 1 0 326.396 4.029 20 5 EIBDRO CCc1ccc([C@@H]([NH2+]C[C@H]2CCSC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000448023135 1030493322 /nfs/dbraw/zinc/49/33/22/1030493322.db2.gz RUBUNLFHZBBYMZ-ACJLOTCBSA-N 1 0 346.452 4.182 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCSC3)o2)c(Cl)c1 ZINC000527240875 1030572135 /nfs/dbraw/zinc/57/21/35/1030572135.db2.gz JDBIKNJGTQJHSV-JTQLQIEISA-N 1 0 338.816 4.103 20 5 EIBDRO Cc1nc(C(C)C)oc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553101 1030572814 /nfs/dbraw/zinc/57/28/14/1030572814.db2.gz XHLPCJCHFMVATJ-INIZCTEOSA-N 1 0 343.427 4.394 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2CCC2CCCCC2)cc1 ZINC001168174912 1030664465 /nfs/dbraw/zinc/66/44/65/1030664465.db2.gz JXDWLAPBXKLFOY-QUCCMNQESA-N 1 0 346.471 4.453 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCCN(C)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000451863604 1030748112 /nfs/dbraw/zinc/74/81/12/1030748112.db2.gz FZWVPQXKROZTCN-KSSFIOAISA-N 1 0 325.412 4.217 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c(OC(C)(C)C)c1 ZINC000237749138 1030862466 /nfs/dbraw/zinc/86/24/66/1030862466.db2.gz HGBSMPGRVQQUOF-UHFFFAOYSA-N 1 0 328.412 4.370 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000614817237 1031023266 /nfs/dbraw/zinc/02/32/66/1031023266.db2.gz AOHYEPGJWYUEFG-SJLPKXTDSA-N 1 0 328.387 4.202 20 5 EIBDRO C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(F)cc1 ZINC000532482144 1031217212 /nfs/dbraw/zinc/21/72/12/1031217212.db2.gz RDODMPMWTBMBOW-IFXJQAMLSA-N 1 0 342.414 4.448 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)CCc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000532487515 1031221473 /nfs/dbraw/zinc/22/14/73/1031221473.db2.gz IRVJNMAVJFEHDR-DZGCQCFKSA-N 1 0 328.412 4.281 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000449067969 1031420045 /nfs/dbraw/zinc/42/00/45/1031420045.db2.gz PNTGMIZBOUQVHM-OLZOCXBDSA-N 1 0 332.375 4.024 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000520213439 1031456651 /nfs/dbraw/zinc/45/66/51/1031456651.db2.gz CKIQMSNTJAKUKW-WBMJQRKESA-N 1 0 330.384 4.142 20 5 EIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000449128808 1031467643 /nfs/dbraw/zinc/46/76/43/1031467643.db2.gz AVVATJAXWMYBNU-LBPRGKRZSA-N 1 0 333.457 4.070 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2ccccc2n1 ZINC000531700730 1031485478 /nfs/dbraw/zinc/48/54/78/1031485478.db2.gz QRYSLBPEUQRDST-HNNXBMFYSA-N 1 0 335.407 4.254 20 5 EIBDRO Cc1cccnc1[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449156874 1031486591 /nfs/dbraw/zinc/48/65/91/1031486591.db2.gz TWIPXSQXGMNHEC-QAPCUYQASA-N 1 0 327.428 4.216 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@H](OC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000531702098 1031487702 /nfs/dbraw/zinc/48/77/02/1031487702.db2.gz ZCEUGATYTCARMI-MOPGFXCFSA-N 1 0 328.412 4.413 20 5 EIBDRO CCC(CC)c1cc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])on1 ZINC000449173299 1031494220 /nfs/dbraw/zinc/49/42/20/1031494220.db2.gz XDLKGOIHIBDVRT-ZDUSSCGKSA-N 1 0 331.416 4.207 20 5 EIBDRO CCC[C@H]([NH2+]CCOc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000531692927 1031503774 /nfs/dbraw/zinc/50/37/74/1031503774.db2.gz YSNJKPMJQDXEKD-KRWDZBQOSA-N 1 0 344.411 4.113 20 5 EIBDRO COc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000531728052 1031506865 /nfs/dbraw/zinc/50/68/65/1031506865.db2.gz DELKLMNAJSUGTN-GJZGRUSLSA-N 1 0 344.411 4.030 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449251122 1031567016 /nfs/dbraw/zinc/56/70/16/1031567016.db2.gz NCYKTHZSBOZMBP-KSMMKXTCSA-N 1 0 346.402 4.031 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000449254608 1031570817 /nfs/dbraw/zinc/57/08/17/1031570817.db2.gz ZHKIJZDDLZEEDF-ZTNFWEORSA-N 1 0 340.423 4.036 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449245517 1031580273 /nfs/dbraw/zinc/58/02/73/1031580273.db2.gz BMIVKBISBUDJRF-NJSLBKSFSA-N 1 0 346.402 4.031 20 5 EIBDRO CC(F)(F)CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449351809 1031651151 /nfs/dbraw/zinc/65/11/51/1031651151.db2.gz RTTNOMKCYOBYLF-DZGCQCFKSA-N 1 0 326.387 4.331 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000612580615 1031668089 /nfs/dbraw/zinc/66/80/89/1031668089.db2.gz KVEYTPFSYUASPJ-HIFRSBDPSA-N 1 0 330.350 4.362 20 5 EIBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000449470293 1031767499 /nfs/dbraw/zinc/76/74/99/1031767499.db2.gz AMAHKGKAEDLBRM-INIZCTEOSA-N 1 0 332.444 4.157 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](C)CCCO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453280271 1031802095 /nfs/dbraw/zinc/80/20/95/1031802095.db2.gz REBFXRWYSNAIEH-UONOGXRCSA-N 1 0 348.468 4.383 20 5 EIBDRO CO[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H]1C ZINC000449505625 1031815221 /nfs/dbraw/zinc/81/52/21/1031815221.db2.gz RIDOPOUFCBCPDI-DYVFJYSZSA-N 1 0 346.452 4.180 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453382218 1031893250 /nfs/dbraw/zinc/89/32/50/1031893250.db2.gz LSZMUPWTHITPOO-JGGQBBKZSA-N 1 0 332.425 4.227 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC[C@@H]3CCOC3)s2)cc1 ZINC000449685613 1031930359 /nfs/dbraw/zinc/93/03/59/1031930359.db2.gz SUEDFPCYQXOCHA-CQSZACIVSA-N 1 0 346.452 4.230 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000531995222 1031962904 /nfs/dbraw/zinc/96/29/04/1031962904.db2.gz HQLIZRKLBICBKY-ACJLOTCBSA-N 1 0 347.846 4.202 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(C)cn1 ZINC000453422147 1031977389 /nfs/dbraw/zinc/97/73/89/1031977389.db2.gz LLSAHYNQKAIEEB-OAHLLOKOSA-N 1 0 345.468 4.001 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cccc2cccnc21)C1CC1 ZINC000120486829 1033841176 /nfs/dbraw/zinc/84/11/76/1033841176.db2.gz YOUJEPBSXAGKRR-LJQANCHMSA-N 1 0 347.418 4.254 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC3(CCCCC3)C1)CCC2 ZINC000408447197 1033935236 /nfs/dbraw/zinc/93/52/36/1033935236.db2.gz BVPNLDAPQGDMHC-APWZRJJASA-N 1 0 344.455 4.444 20 5 EIBDRO CCCC[NH+]1CCC(N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433174708 1033985567 /nfs/dbraw/zinc/98/55/67/1033985567.db2.gz KCIAKLUAWAURJJ-IBGZPJMESA-N 1 0 345.487 4.171 20 5 EIBDRO CSC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1 ZINC000433210608 1034062387 /nfs/dbraw/zinc/06/23/87/1034062387.db2.gz VFURRKGXLMTLOT-UHFFFAOYSA-N 1 0 332.425 4.230 20 5 EIBDRO C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000433221829 1034069802 /nfs/dbraw/zinc/06/98/02/1034069802.db2.gz RRVNIZZUTZBVCD-GLJUWKHASA-N 1 0 332.444 4.112 20 5 EIBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000512863884 1034077088 /nfs/dbraw/zinc/07/70/88/1034077088.db2.gz HLCNTTHYKMLYLB-NHYWBVRUSA-N 1 0 334.466 4.164 20 5 EIBDRO C[C@@H](CCO)C1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000433229779 1034080928 /nfs/dbraw/zinc/08/09/28/1034080928.db2.gz FEPZFTIKHUAGLQ-KBXCAEBGSA-N 1 0 346.471 4.096 20 5 EIBDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000512894579 1034137634 /nfs/dbraw/zinc/13/76/34/1034137634.db2.gz KYGWSUKDGFBXEW-KBPBESRZSA-N 1 0 346.452 4.086 20 5 EIBDRO COc1cccc([C@@H]2CCCN2Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000509851295 1034171902 /nfs/dbraw/zinc/17/19/02/1034171902.db2.gz OOJMWGNCGSGYIR-SFHVURJKSA-N 1 0 348.349 4.219 20 5 EIBDRO CCOCCC1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433300301 1034192281 /nfs/dbraw/zinc/19/22/81/1034192281.db2.gz DAONTQXHWUZMRZ-QGZVFWFLSA-N 1 0 332.444 4.114 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000513028247 1034337221 /nfs/dbraw/zinc/33/72/21/1034337221.db2.gz XHLWPNXLRYNYAW-ZDUSSCGKSA-N 1 0 338.411 4.445 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000419354949 1034437147 /nfs/dbraw/zinc/43/71/47/1034437147.db2.gz MMFINABGDMCREG-CYBMUJFWSA-N 1 0 326.396 4.332 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000052333716 1034516973 /nfs/dbraw/zinc/51/69/73/1034516973.db2.gz JAQVZHVLICWRTQ-NSHDSACASA-N 1 0 341.249 4.416 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000595012184 1035506009 /nfs/dbraw/zinc/50/60/09/1035506009.db2.gz FBZGADSSJWXAKZ-FZKQIMNGSA-N 1 0 326.396 4.250 20 5 EIBDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595020291 1035508258 /nfs/dbraw/zinc/50/82/58/1035508258.db2.gz YLOYLQMAPSPVJJ-STQMWFEESA-N 1 0 330.384 4.024 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](c1cccnc1)C(C)C ZINC000595015071 1035509262 /nfs/dbraw/zinc/50/92/62/1035509262.db2.gz WYZLRUPBJYIRBQ-KBXCAEBGSA-N 1 0 343.427 4.089 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000595022604 1035511038 /nfs/dbraw/zinc/51/10/38/1035511038.db2.gz OCHUEWYHXRJTEZ-LSDHHAIUSA-N 1 0 348.443 4.136 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000594980256 1035514129 /nfs/dbraw/zinc/51/41/29/1035514129.db2.gz NTYOVKBPKFHIQE-SFHVURJKSA-N 1 0 326.396 4.201 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCSc2ccccc21 ZINC000595007217 1035529641 /nfs/dbraw/zinc/52/96/41/1035529641.db2.gz KCVXDABUFGIZQJ-MLGOLLRUSA-N 1 0 344.436 4.491 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000595003924 1035531790 /nfs/dbraw/zinc/53/17/90/1035531790.db2.gz NNEQVQFQDLHSAT-YJYMSZOUSA-N 1 0 326.396 4.405 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccnc2ccccc12 ZINC000595072149 1035555691 /nfs/dbraw/zinc/55/56/91/1035555691.db2.gz GUEPNDNCFRUDSW-HNNXBMFYSA-N 1 0 335.407 4.345 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000595039721 1035564223 /nfs/dbraw/zinc/56/42/23/1035564223.db2.gz BGCKXPLVUQIIJH-RYUDHWBXSA-N 1 0 328.359 4.080 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000595039719 1035564334 /nfs/dbraw/zinc/56/43/34/1035564334.db2.gz BGCKXPLVUQIIJH-NEPJUHHUSA-N 1 0 328.359 4.080 20 5 EIBDRO C[C@H](O)[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000595105802 1035586921 /nfs/dbraw/zinc/58/69/21/1035586921.db2.gz YTCZTVHHLXTIOQ-MJXNMMHHSA-N 1 0 340.423 4.029 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](c1ccccc1)[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000595101416 1035589642 /nfs/dbraw/zinc/58/96/42/1035589642.db2.gz FLACTVLNCVIXOM-MDASCCDHSA-N 1 0 328.412 4.148 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cnccc1C ZINC000595075049 1035592631 /nfs/dbraw/zinc/59/26/31/1035592631.db2.gz VIYHAJWNDDEXGN-MRXNPFEDSA-N 1 0 345.468 4.001 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]CCc2ccnc3ccccc23)cccc1[N+](=O)[O-] ZINC000595075060 1035594010 /nfs/dbraw/zinc/59/40/10/1035594010.db2.gz VQBNTKXDOANBAN-OAHLLOKOSA-N 1 0 335.407 4.345 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CC1(F)F ZINC000595079555 1035594788 /nfs/dbraw/zinc/59/47/88/1035594788.db2.gz KMHMJQNBBGFMPH-RISCZKNCSA-N 1 0 330.400 4.100 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](c1ccccc1)[C@@H](O)C(C)C ZINC000595096340 1035604094 /nfs/dbraw/zinc/60/40/94/1035604094.db2.gz JOKQQKWHAOEMDM-BEVDRBHNSA-N 1 0 342.439 4.312 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000595414096 1035673934 /nfs/dbraw/zinc/67/39/34/1035673934.db2.gz AOZAWIXRIUJBII-JTQLQIEISA-N 1 0 340.301 4.186 20 5 EIBDRO Cc1noc(C[NH+]2CCC(C)(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000595467401 1035685190 /nfs/dbraw/zinc/68/51/90/1035685190.db2.gz RPYNCHDUSBQWJU-UHFFFAOYSA-N 1 0 349.818 4.098 20 5 EIBDRO CC[NH+](CC)C[C@@H](C)N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491039051 1035779549 /nfs/dbraw/zinc/77/95/49/1035779549.db2.gz QSNLSDGVOJVIMJ-OXQOHEQNSA-N 1 0 341.455 4.004 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595781678 1035793691 /nfs/dbraw/zinc/79/36/91/1035793691.db2.gz FMWQROUOUFQYRJ-BEFAXECRSA-N 1 0 332.444 4.245 20 5 EIBDRO COc1ccc(C[N@H+](C)Cc2csc3ccccc23)cc1[N+](=O)[O-] ZINC000502010342 1035805686 /nfs/dbraw/zinc/80/56/86/1035805686.db2.gz RJOKKIBQJLDSJU-UHFFFAOYSA-N 1 0 342.420 4.450 20 5 EIBDRO C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccs2)no1 ZINC000905852291 1035942922 /nfs/dbraw/zinc/94/29/22/1035942922.db2.gz HEMNFJAJJZACBH-GHMZBOCLSA-N 1 0 344.396 4.118 20 5 EIBDRO C[C@@H](N[C@@H](C)c1nc(-c2cccs2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000905852292 1035943847 /nfs/dbraw/zinc/94/38/47/1035943847.db2.gz HEMNFJAJJZACBH-MNOVXSKESA-N 1 0 344.396 4.118 20 5 EIBDRO COCCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237186221 1036200897 /nfs/dbraw/zinc/20/08/97/1036200897.db2.gz XNXFNQDWKJNCHF-UHFFFAOYSA-N 1 0 338.791 4.024 20 5 EIBDRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000237181941 1036201164 /nfs/dbraw/zinc/20/11/64/1036201164.db2.gz VKPBEDUWLOFMMN-CQSZACIVSA-N 1 0 346.452 4.121 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@@H](c2ccccc2)C1 ZINC000485797555 1036279193 /nfs/dbraw/zinc/27/91/93/1036279193.db2.gz YMNKDWQRDMYLLR-HNAYVOBHSA-N 1 0 326.396 4.038 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC1(F)F ZINC000588232576 1036306432 /nfs/dbraw/zinc/30/64/32/1036306432.db2.gz OLIGMEQGVKCERD-SMDDNHRTSA-N 1 0 330.400 4.243 20 5 EIBDRO CCOc1ccc(C[N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000761240273 1036357140 /nfs/dbraw/zinc/35/71/40/1036357140.db2.gz VUUKFBAFBWFEKZ-UHFFFAOYSA-N 1 0 334.803 4.279 20 5 EIBDRO CCOC1(C)CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602671442 1036547318 /nfs/dbraw/zinc/54/73/18/1036547318.db2.gz LACWOHWZPIKXFC-UHFFFAOYSA-N 1 0 346.349 4.005 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cscc3Cl)c2c1 ZINC000588933607 1036610236 /nfs/dbraw/zinc/61/02/36/1036610236.db2.gz BXVINJNDHFPNFO-UHFFFAOYSA-N 1 0 335.816 4.123 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000589200210 1036708553 /nfs/dbraw/zinc/70/85/53/1036708553.db2.gz WJKXSVIJKNQLJS-WFNWROLRSA-N 1 0 344.455 4.137 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC[C@H]2CC2(F)F)c2ccccc2)c1 ZINC000598679501 1036743619 /nfs/dbraw/zinc/74/36/19/1036743619.db2.gz HZYCSQHZUOLDGM-RDJZCZTQSA-N 1 0 332.350 4.319 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000486715781 1036824059 /nfs/dbraw/zinc/82/40/59/1036824059.db2.gz WUFUCPUEDSESCP-GFCCVEGCSA-N 1 0 327.359 4.374 20 5 EIBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccsc1C(F)(F)F ZINC000598961470 1036827880 /nfs/dbraw/zinc/82/78/80/1036827880.db2.gz MJSQEKFJGXERRD-UHFFFAOYSA-N 1 0 330.331 4.007 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)CCC2 ZINC000599067445 1036867760 /nfs/dbraw/zinc/86/77/60/1036867760.db2.gz DQPCXDNITLIGKP-AZUAARDMSA-N 1 0 337.423 4.498 20 5 EIBDRO Cc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000599070610 1036870192 /nfs/dbraw/zinc/87/01/92/1036870192.db2.gz LWPQKMPTVARHRZ-OAHLLOKOSA-N 1 0 327.428 4.235 20 5 EIBDRO COc1cc(C[N@H+](C)[C@H](C)C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000603553587 1036882034 /nfs/dbraw/zinc/88/20/34/1036882034.db2.gz DNSALSMXEBDDHB-SNVBAGLBSA-N 1 0 346.374 4.071 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@@H](C2CC2)C2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000593715006 1036916373 /nfs/dbraw/zinc/91/63/73/1036916373.db2.gz FVMXPELKHZQCRW-OALUTQOASA-N 1 0 344.455 4.112 20 5 EIBDRO Cc1ccc(C[NH2+]CCc2ccc(OC(C)C)cc2)cc1[N+](=O)[O-] ZINC000603633301 1036919525 /nfs/dbraw/zinc/91/95/25/1036919525.db2.gz UGBJWKMJIWRDRG-UHFFFAOYSA-N 1 0 328.412 4.023 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000599355257 1036966455 /nfs/dbraw/zinc/96/64/55/1036966455.db2.gz XDSFDSOEWJGNLK-NSHDSACASA-N 1 0 339.317 4.168 20 5 EIBDRO Cc1c(C[N@H+](C)CCOc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000603836984 1037031628 /nfs/dbraw/zinc/03/16/28/1037031628.db2.gz OVCUDWUCOOVVFT-UHFFFAOYSA-N 1 0 334.803 4.067 20 5 EIBDRO COCC[N@H+](Cc1ccc(C)cc1C)Cc1cccc([N+](=O)[O-])c1C ZINC000603895188 1037070855 /nfs/dbraw/zinc/07/08/55/1037070855.db2.gz VWSAJHUYCJWRBA-UHFFFAOYSA-N 1 0 342.439 4.169 20 5 EIBDRO Cc1cccc([C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)C)c1 ZINC000599630095 1037100597 /nfs/dbraw/zinc/10/05/97/1037100597.db2.gz NBHRKAXPRXRYSY-IBGZPJMESA-N 1 0 338.411 4.266 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC(OC(F)F)CC1 ZINC000590662498 1037136291 /nfs/dbraw/zinc/13/62/91/1037136291.db2.gz XAQZUVUEINHTGH-XFXZXTDPSA-N 1 0 340.370 4.138 20 5 EIBDRO COc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C2CC2)cc1 ZINC000057601367 1037136476 /nfs/dbraw/zinc/13/64/76/1037136476.db2.gz QBLKTGOPBQYOKA-HNNXBMFYSA-N 1 0 340.423 4.404 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000058092801 1037483588 /nfs/dbraw/zinc/48/35/88/1037483588.db2.gz BYQROEXGRILRAW-UHFFFAOYSA-N 1 0 340.354 4.326 20 5 EIBDRO C[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])CC(F)F ZINC000592392321 1037783125 /nfs/dbraw/zinc/78/31/25/1037783125.db2.gz KIFBDMZOEGDNCY-YDHLFZDLSA-N 1 0 326.387 4.187 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000489150027 1037882732 /nfs/dbraw/zinc/88/27/32/1037882732.db2.gz AJPDUKOAJQBGSI-FOIQADDNSA-N 1 0 340.423 4.210 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2OC(F)F)cccc1[N+](=O)[O-] ZINC000503864524 1037949568 /nfs/dbraw/zinc/94/95/68/1037949568.db2.gz VWLPMEVKKRAEMC-NJZAAPMLSA-N 1 0 328.359 4.104 20 5 EIBDRO CC[C@@H]([NH2+]CCc1noc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000593971285 1038034410 /nfs/dbraw/zinc/03/44/10/1038034410.db2.gz XAWYXTJDOPAIPZ-MRXNPFEDSA-N 1 0 325.368 4.019 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1cccc2[nH]ccc21)C1CC1 ZINC000503952513 1038041779 /nfs/dbraw/zinc/04/17/79/1038041779.db2.gz JYBUZVKEQGHKSN-FQEVSTJZSA-N 1 0 349.434 4.230 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@@H](C2CC2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000593668229 1038123799 /nfs/dbraw/zinc/12/37/99/1038123799.db2.gz HYMRQHMIDASTKN-IBGZPJMESA-N 1 0 332.444 4.013 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490017009 1038315035 /nfs/dbraw/zinc/31/50/35/1038315035.db2.gz XESOBGCVZMUMIK-CRAIPNDOSA-N 1 0 325.412 4.232 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1ccccn1 ZINC000594513596 1038358305 /nfs/dbraw/zinc/35/83/05/1038358305.db2.gz DQCLQCGQNNNHKU-GJZGRUSLSA-N 1 0 345.468 4.081 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c(F)c1 ZINC000490377714 1038609873 /nfs/dbraw/zinc/60/98/73/1038609873.db2.gz XLGXYNKKJLGLOC-CQSZACIVSA-N 1 0 346.427 4.348 20 5 EIBDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000490405160 1038629128 /nfs/dbraw/zinc/62/91/28/1038629128.db2.gz WANIAHCBYWDZJX-LJQANCHMSA-N 1 0 343.402 4.137 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000539052652 1038800843 /nfs/dbraw/zinc/80/08/43/1038800843.db2.gz OECUCIRTCLWCJK-BBRMVZONSA-N 1 0 338.398 4.474 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000539059681 1038806593 /nfs/dbraw/zinc/80/65/93/1038806593.db2.gz DGFOZHHUNYOIAC-IMJJTQAJSA-N 1 0 338.398 4.474 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000539063129 1038809438 /nfs/dbraw/zinc/80/94/38/1038809438.db2.gz SVFLSXQHRRKOEX-MELADBBJSA-N 1 0 338.473 4.011 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](C)c2cc(C)c(C)cc2C)cc1[N+](=O)[O-] ZINC000539075739 1038823543 /nfs/dbraw/zinc/82/35/43/1038823543.db2.gz KHELEWHWSBOCPB-HNNXBMFYSA-N 1 0 328.412 4.379 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCSCC)cc1[N+](=O)[O-] ZINC000504899464 1038834283 /nfs/dbraw/zinc/83/42/83/1038834283.db2.gz HCPUIBNLYMRLCI-QWHCGFSZSA-N 1 0 326.462 4.176 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)c3c2cccc3C)cc1[N+](=O)[O-] ZINC000504911290 1038849097 /nfs/dbraw/zinc/84/90/97/1038849097.db2.gz DKUNLUXYHDXPTA-BBRMVZONSA-N 1 0 326.396 4.250 20 5 EIBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(OC(F)F)c2)cccc1[N+](=O)[O-] ZINC000089520282 1038873552 /nfs/dbraw/zinc/87/35/52/1038873552.db2.gz SBZPPNPCPRPPOB-LBPRGKRZSA-N 1 0 336.338 4.355 20 5 EIBDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000539227329 1038892699 /nfs/dbraw/zinc/89/26/99/1038892699.db2.gz ZRRBBKGLRZTCQK-OAHLLOKOSA-N 1 0 344.411 4.112 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCc3ccc(F)cc3)o2)c1 ZINC000608834725 1038914554 /nfs/dbraw/zinc/91/45/54/1038914554.db2.gz CMGXQQSZBMICNV-UHFFFAOYSA-N 1 0 340.354 4.326 20 5 EIBDRO Cc1ccc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)o1 ZINC000608836289 1038920587 /nfs/dbraw/zinc/92/05/87/1038920587.db2.gz BSKPDEGWBOIGKT-UHFFFAOYSA-N 1 0 326.352 4.089 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCc3ccccc3F)o2)c1 ZINC000608835448 1038924228 /nfs/dbraw/zinc/92/42/28/1038924228.db2.gz FZPWEZWMRZKZRC-UHFFFAOYSA-N 1 0 340.354 4.326 20 5 EIBDRO CC[C@@H]([NH2+]CCCc1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000481047206 1038983201 /nfs/dbraw/zinc/98/32/01/1038983201.db2.gz KJTRFZYVATWXJV-LJQANCHMSA-N 1 0 328.412 4.277 20 5 EIBDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000608974220 1038984916 /nfs/dbraw/zinc/98/49/16/1038984916.db2.gz ZEUHTUYYPOXARC-UHFFFAOYSA-N 1 0 345.468 4.005 20 5 EIBDRO CC(C)COc1ccccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000481053921 1038997029 /nfs/dbraw/zinc/99/70/29/1038997029.db2.gz QNZSXYUWHBNLPI-HNNXBMFYSA-N 1 0 328.412 4.480 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000477938883 1039244527 /nfs/dbraw/zinc/24/45/27/1039244527.db2.gz PFQLAAGENHZQPE-QKYXUNIQSA-N 1 0 340.423 4.332 20 5 EIBDRO CCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000537635584 1039319061 /nfs/dbraw/zinc/31/90/61/1039319061.db2.gz DMZYTCPULDMQFK-JYJIMFNOSA-N 1 0 344.455 4.134 20 5 EIBDRO COc1cccc(C2([NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000552322546 1039378937 /nfs/dbraw/zinc/37/89/37/1039378937.db2.gz QTSFBSPDINBDJU-LJQANCHMSA-N 1 0 338.407 4.260 20 5 EIBDRO CC(C)COc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000481543453 1039566078 /nfs/dbraw/zinc/56/60/78/1039566078.db2.gz FCXSXWMSILANOK-HNNXBMFYSA-N 1 0 328.412 4.480 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]CCCO[C@@H]2CCCc3ccccc32)cs1 ZINC000237973081 1039577355 /nfs/dbraw/zinc/57/73/55/1039577355.db2.gz ZDCTZZYEXMQHCO-QGZVFWFLSA-N 1 0 346.452 4.230 20 5 EIBDRO COCCCC[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491228793 1039694243 /nfs/dbraw/zinc/69/42/43/1039694243.db2.gz SIHXHEFQEKNJIR-UHFFFAOYSA-N 1 0 346.402 4.163 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1 ZINC000478383217 1039731516 /nfs/dbraw/zinc/73/15/16/1039731516.db2.gz JLFWHGGBSOBSPR-GWCFXTLKSA-N 1 0 334.313 4.192 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481707046 1039755369 /nfs/dbraw/zinc/75/53/69/1039755369.db2.gz MLEHOYKOORONNB-QRWLVFNGSA-N 1 0 338.407 4.177 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481707047 1039760912 /nfs/dbraw/zinc/76/09/12/1039760912.db2.gz MLEHOYKOORONNB-YWZLYKJASA-N 1 0 338.407 4.177 20 5 EIBDRO COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000478504847 1039795146 /nfs/dbraw/zinc/79/51/46/1039795146.db2.gz JFUORTZQXMCBFX-LBPRGKRZSA-N 1 0 334.803 4.416 20 5 EIBDRO CC[C@H](C)c1ccc([C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C(C)C)cc1 ZINC000476666400 1039831034 /nfs/dbraw/zinc/83/10/34/1039831034.db2.gz VSBATCSCUNJMII-KSSFIOAISA-N 1 0 344.459 4.329 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3F)C2)c(F)c1 ZINC000481813911 1039842775 /nfs/dbraw/zinc/84/27/75/1039842775.db2.gz LLOJLPPOHKIAJH-TZMCWYRMSA-N 1 0 332.350 4.299 20 5 EIBDRO O=[N+]([O-])c1cccc(F)c1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000552909724 1039856878 /nfs/dbraw/zinc/85/68/78/1039856878.db2.gz NRDFIUNYVQDPCJ-AWEZNQCLSA-N 1 0 335.404 4.044 20 5 EIBDRO Cc1ccc([C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)N(C)C)cc1 ZINC000481964122 1039928632 /nfs/dbraw/zinc/92/86/32/1039928632.db2.gz ZPJVHIXDLRNKOX-UZLBHIALSA-N 1 0 341.455 4.165 20 5 EIBDRO CO[C@H](C)CC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482095673 1040011602 /nfs/dbraw/zinc/01/16/02/1040011602.db2.gz DGNQHAAFWYLIRG-CHWSQXEVSA-N 1 0 334.441 4.399 20 5 EIBDRO CCc1nc(C)c([C@H](C)[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000122165918 1040330399 /nfs/dbraw/zinc/33/03/99/1040330399.db2.gz OTKRDRQEIMFYED-ZDUSSCGKSA-N 1 0 333.457 4.158 20 5 EIBDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000535562443 1040361699 /nfs/dbraw/zinc/36/16/99/1040361699.db2.gz XPEVXYQZNGANLT-GUYCJALGSA-N 1 0 329.400 4.260 20 5 EIBDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000152796039 1040443622 /nfs/dbraw/zinc/44/36/22/1040443622.db2.gz SMCWZSXRLUEILN-OLZOCXBDSA-N 1 0 330.384 4.024 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCc2ccccc21)C1CC1 ZINC000482892534 1040538980 /nfs/dbraw/zinc/53/89/80/1040538980.db2.gz PWROYWNSGBANGT-QUCCMNQESA-N 1 0 336.435 4.236 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]C[C@H](C)N(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000482892487 1040554391 /nfs/dbraw/zinc/55/43/91/1040554391.db2.gz PSFVWDLSKPOYJT-DOTOQJQBSA-N 1 0 341.455 4.074 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000192784588 1040659219 /nfs/dbraw/zinc/65/92/19/1040659219.db2.gz WUTQBLLHGPGVDG-SUMWQHHRSA-N 1 0 342.395 4.168 20 5 EIBDRO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000479834257 1040691733 /nfs/dbraw/zinc/69/17/33/1040691733.db2.gz VRTWJBCTUVGWCY-UHFFFAOYSA-N 1 0 340.301 4.125 20 5 EIBDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000515365268 1040701045 /nfs/dbraw/zinc/70/10/45/1040701045.db2.gz PZCOUWVVPUPXGS-SUMDDJOVSA-N 1 0 332.444 4.156 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000483127462 1040718270 /nfs/dbraw/zinc/71/82/70/1040718270.db2.gz FILJMGVOJHCZDL-SJLPKXTDSA-N 1 0 339.439 4.223 20 5 EIBDRO CS[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000483183008 1040754293 /nfs/dbraw/zinc/75/42/93/1040754293.db2.gz MRXAXGMPGZQPSF-ZACQAIPSSA-N 1 0 334.485 4.180 20 5 EIBDRO CC(C)CO[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000537724983 1040775858 /nfs/dbraw/zinc/77/58/58/1040775858.db2.gz JLNFUKFGNWAOMX-KRWDZBQOSA-N 1 0 344.411 4.102 20 5 EIBDRO Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000443218874 1040785680 /nfs/dbraw/zinc/78/56/80/1040785680.db2.gz UOECOSKSRIFQRM-GUXCAODWSA-N 1 0 341.455 4.245 20 5 EIBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000537775800 1040830122 /nfs/dbraw/zinc/83/01/22/1040830122.db2.gz RWQDOEGCORIONE-KGLIPLIRSA-N 1 0 346.452 4.228 20 5 EIBDRO C[C@H]1CCSCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000483416153 1040846787 /nfs/dbraw/zinc/84/67/87/1040846787.db2.gz GRTZLNSEHNIGLZ-ZDUSSCGKSA-N 1 0 332.425 4.182 20 5 EIBDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000537869261 1040863061 /nfs/dbraw/zinc/86/30/61/1040863061.db2.gz MMMWIXMUWGPLBY-IFXJQAMLSA-N 1 0 344.411 4.148 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000462730545 1040872600 /nfs/dbraw/zinc/87/26/00/1040872600.db2.gz IQIJPKMRMOEWEV-IBGZPJMESA-N 1 0 342.439 4.449 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@@H](C)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000462739578 1040885063 /nfs/dbraw/zinc/88/50/63/1040885063.db2.gz OHZDHOVPRVSCJI-INIZCTEOSA-N 1 0 342.439 4.413 20 5 EIBDRO CCOc1ccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000462764470 1040902415 /nfs/dbraw/zinc/90/24/15/1040902415.db2.gz UBZXNJZGUQZROP-UHFFFAOYSA-N 1 0 328.412 4.106 20 5 EIBDRO COc1ccc(C)cc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000462766668 1040904129 /nfs/dbraw/zinc/90/41/29/1040904129.db2.gz VRTOYXKYTNPCMZ-UHFFFAOYSA-N 1 0 328.412 4.024 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000537940827 1040904893 /nfs/dbraw/zinc/90/48/93/1040904893.db2.gz XZNOMLWDAOWMIC-HOCLYGCPSA-N 1 0 343.402 4.054 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)Oc2ccccc2F)cc1[N+](=O)[O-] ZINC000483613412 1040912289 /nfs/dbraw/zinc/91/22/89/1040912289.db2.gz JDNZOJHVYAYUFZ-KGLIPLIRSA-N 1 0 332.375 4.160 20 5 EIBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)Oc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000483619125 1040917362 /nfs/dbraw/zinc/91/73/62/1040917362.db2.gz GQIFPMNEHPJJEA-OCCSQVGLSA-N 1 0 332.375 4.160 20 5 EIBDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000483644754 1040927999 /nfs/dbraw/zinc/92/79/99/1040927999.db2.gz FOYLEEXQPLCIGC-GFCCVEGCSA-N 1 0 334.803 4.017 20 5 EIBDRO CCC[C@H]([NH2+][C@@H]1CCCC[C@H]1n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000483687064 1040961215 /nfs/dbraw/zinc/96/12/15/1040961215.db2.gz SOWGQVJEFNUEHH-IPMKNSEASA-N 1 0 342.443 4.406 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000538158215 1041103027 /nfs/dbraw/zinc/10/30/27/1041103027.db2.gz DOERZYRWTDRDMX-CABCVRRESA-N 1 0 336.395 4.192 20 5 EIBDRO C[C@H]([NH2+]CCOc1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000538180020 1041132705 /nfs/dbraw/zinc/13/27/05/1041132705.db2.gz QHYYINJEVIKYBU-NSHDSACASA-N 1 0 338.766 4.117 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](CO)c1ccc(CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000540147120 1041172825 /nfs/dbraw/zinc/17/28/25/1041172825.db2.gz PFHBXDQVOZKUGP-PMACEKPBSA-N 1 0 342.439 4.322 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484281299 1041183621 /nfs/dbraw/zinc/18/36/21/1041183621.db2.gz JYIRCKUYPZPPBA-CZUORRHYSA-N 1 0 345.830 4.178 20 5 EIBDRO CCC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001167960833 1041259754 /nfs/dbraw/zinc/25/97/54/1041259754.db2.gz XAINOTYAJUDNHM-GFCCVEGCSA-N 1 0 341.249 4.369 20 5 EIBDRO CC[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000484491911 1041265314 /nfs/dbraw/zinc/26/53/14/1041265314.db2.gz JSYJALGZOUXGRN-BBRMVZONSA-N 1 0 332.375 4.242 20 5 EIBDRO C[C@@H]([NH2+]C[C@H]1SCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000484473223 1041268101 /nfs/dbraw/zinc/26/81/01/1041268101.db2.gz JFTHAPCZOLQGGT-FZKQIMNGSA-N 1 0 328.437 4.276 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccncc2CC)cc1[N+](=O)[O-] ZINC000540315380 1041362414 /nfs/dbraw/zinc/36/24/14/1041362414.db2.gz DVJMEHRZUCPRLH-UONOGXRCSA-N 1 0 343.427 4.363 20 5 EIBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)cn1 ZINC000554743080 1041375400 /nfs/dbraw/zinc/37/54/00/1041375400.db2.gz XDGPVSNCXYTTTR-NSHDSACASA-N 1 0 344.802 4.018 20 5 EIBDRO Cc1ccccc1C[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000516110893 1041414839 /nfs/dbraw/zinc/41/48/39/1041414839.db2.gz ATZUYJQXBDOEQS-OAHLLOKOSA-N 1 0 337.423 4.148 20 5 EIBDRO CC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000506497772 1041454704 /nfs/dbraw/zinc/45/47/04/1041454704.db2.gz YTWHJKHGPDRZJF-ZDUSSCGKSA-N 1 0 334.441 4.118 20 5 EIBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000540479630 1041483720 /nfs/dbraw/zinc/48/37/20/1041483720.db2.gz RMBUANLCOZAGAQ-NSHDSACASA-N 1 0 338.766 4.117 20 5 EIBDRO CCOc1cccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000480727942 1041500373 /nfs/dbraw/zinc/50/03/73/1041500373.db2.gz OYDDTEANIDBXFP-IBGZPJMESA-N 1 0 340.423 4.104 20 5 EIBDRO Cc1ccc(C)n1C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000484902409 1041503634 /nfs/dbraw/zinc/50/36/34/1041503634.db2.gz XVWYHEJOGKHUFQ-INIZCTEOSA-N 1 0 327.428 4.411 20 5 EIBDRO CCO[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000516389537 1041560753 /nfs/dbraw/zinc/56/07/53/1041560753.db2.gz JCGVPWGJKYJTMC-HNAYVOBHSA-N 1 0 328.412 4.332 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000540607873 1041560901 /nfs/dbraw/zinc/56/09/01/1041560901.db2.gz GCRYXZFSTSADSS-LXIYXOSZSA-N 1 0 332.375 4.161 20 5 EIBDRO CCC[C@H](N[C@H](c1ccccc1F)[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000517035862 1041844940 /nfs/dbraw/zinc/84/49/40/1041844940.db2.gz RJYOVNOQTVDPRV-AGRHKRQWSA-N 1 0 346.402 4.287 20 5 EIBDRO COc1cccc(C2=CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000437592630 1041846644 /nfs/dbraw/zinc/84/66/44/1041846644.db2.gz LZNHSZLPYLPWFF-HNNXBMFYSA-N 1 0 338.407 4.454 20 5 EIBDRO CS[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C(C)(C)C ZINC000541376917 1041918365 /nfs/dbraw/zinc/91/83/65/1041918365.db2.gz CZHPMIUIXVPDDS-CYBMUJFWSA-N 1 0 348.415 4.064 20 5 EIBDRO C[N@H+](CCc1ccc(Br)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000517379434 1041984227 /nfs/dbraw/zinc/98/42/27/1041984227.db2.gz DFGPVPNRNMVVRO-UHFFFAOYSA-N 1 0 349.228 4.032 20 5 EIBDRO CCC(CC)[C@@H](O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000517709777 1042153626 /nfs/dbraw/zinc/15/36/26/1042153626.db2.gz SQQBSVLFMZPTBF-KRWDZBQOSA-N 1 0 348.468 4.210 20 5 EIBDRO C[C@H](Cc1ccsc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000542163613 1042310405 /nfs/dbraw/zinc/31/04/05/1042310405.db2.gz AQDHEHIJHDWZPU-CQSZACIVSA-N 1 0 346.452 4.131 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCCOc2ccc(Cl)cc2)c1 ZINC000518275525 1042448274 /nfs/dbraw/zinc/44/82/74/1042448274.db2.gz RXAZAMASRNUWTI-UHFFFAOYSA-N 1 0 334.803 4.197 20 5 EIBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000518474147 1042539655 /nfs/dbraw/zinc/53/96/55/1042539655.db2.gz NRPDXSZCKNWDTH-HNNXBMFYSA-N 1 0 344.411 4.065 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCCOCc1ccccc1 ZINC000439474086 1042645010 /nfs/dbraw/zinc/64/50/10/1042645010.db2.gz MYBKBXCWDQKEQU-MRXNPFEDSA-N 1 0 328.412 4.195 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(Cl)cc1 ZINC000492732279 1042735318 /nfs/dbraw/zinc/73/53/18/1042735318.db2.gz XTIBLRKKPWBJDG-HNNXBMFYSA-N 1 0 334.803 4.498 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1cccc(Cl)c1 ZINC000492839351 1042760563 /nfs/dbraw/zinc/76/05/63/1042760563.db2.gz ZHOPNYSRSWVMEE-HNNXBMFYSA-N 1 0 334.803 4.498 20 5 EIBDRO COc1cc(C[NH2+][C@@H](c2ccccc2C)C2CC2)ccc1[N+](=O)[O-] ZINC000492878105 1042763518 /nfs/dbraw/zinc/76/35/18/1042763518.db2.gz QMUWCYRIPGUJPC-LJQANCHMSA-N 1 0 326.396 4.153 20 5 EIBDRO CCOc1ccc([C@@H]2CCCN2Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000506710906 1042799155 /nfs/dbraw/zinc/79/91/55/1042799155.db2.gz KXHAGUMPMFCTCG-SFHVURJKSA-N 1 0 342.395 4.036 20 5 EIBDRO C[C@H]1C[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000536397182 1042834908 /nfs/dbraw/zinc/83/49/08/1042834908.db2.gz NHBNBOFFKMWYEM-KBPBESRZSA-N 1 0 346.452 4.228 20 5 EIBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000536397183 1042835144 /nfs/dbraw/zinc/83/51/44/1042835144.db2.gz NHBNBOFFKMWYEM-KGLIPLIRSA-N 1 0 346.452 4.228 20 5 EIBDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761506029 1042874018 /nfs/dbraw/zinc/87/40/18/1042874018.db2.gz MKWUGNFMBQGVNE-UHFFFAOYSA-N 1 0 334.803 4.279 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](CCC(F)(F)F)CC2CC2)cc1Cl ZINC000761513585 1042874435 /nfs/dbraw/zinc/87/44/35/1042874435.db2.gz ATQLZKKJNUKGJF-UHFFFAOYSA-N 1 0 336.741 4.413 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@@H]2CCCSC2)c2ccccc2)c1 ZINC000493249569 1042888923 /nfs/dbraw/zinc/88/89/23/1042888923.db2.gz QITBWCUUWYTCRB-AEFFLSMTSA-N 1 0 328.437 4.169 20 5 EIBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000493383342 1042902884 /nfs/dbraw/zinc/90/28/84/1042902884.db2.gz HFYIMFSLIGWJPT-ZDUSSCGKSA-N 1 0 349.431 4.120 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](c2cccnc2)C2CCC2)c1 ZINC000280836746 1042967539 /nfs/dbraw/zinc/96/75/39/1042967539.db2.gz LOACUJRFTUAROT-QGZVFWFLSA-N 1 0 331.803 4.274 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3[C@H]4Cc5ccccc5[C@@H]34)o2)cc1 ZINC000520660354 1042982300 /nfs/dbraw/zinc/98/23/00/1042982300.db2.gz PLARIRHCOJIKIL-CEWLAPEOSA-N 1 0 346.386 4.283 20 5 EIBDRO CC[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000493995344 1043000261 /nfs/dbraw/zinc/00/02/61/1043000261.db2.gz DBRSWFKNVXEOTM-KRWDZBQOSA-N 1 0 331.391 4.193 20 5 EIBDRO CC1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000493984367 1043003418 /nfs/dbraw/zinc/00/34/18/1043003418.db2.gz RWSMORHAEFMRSS-LJQANCHMSA-N 1 0 340.423 4.091 20 5 EIBDRO COc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000129595951 1043033004 /nfs/dbraw/zinc/03/30/04/1043033004.db2.gz GQNHCTSNLBMNIO-ZFWWWQNUSA-N 1 0 344.411 4.030 20 5 EIBDRO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489028180 1043227425 /nfs/dbraw/zinc/22/74/25/1043227425.db2.gz UXZODMRWVOXXMN-INIZCTEOSA-N 1 0 348.834 4.233 20 5 EIBDRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163349375 1043227989 /nfs/dbraw/zinc/22/79/89/1043227989.db2.gz YXOMDHRDYOVHJQ-QWHCGFSZSA-N 1 0 332.375 4.463 20 5 EIBDRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163349239 1043228132 /nfs/dbraw/zinc/22/81/32/1043228132.db2.gz YXOMDHRDYOVHJQ-CHWSQXEVSA-N 1 0 332.375 4.463 20 5 EIBDRO CCSc1cc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])ccn1 ZINC000427883489 1043248985 /nfs/dbraw/zinc/24/89/85/1043248985.db2.gz CLQGGMOWNLFWAV-AWEZNQCLSA-N 1 0 345.468 4.213 20 5 EIBDRO COCC[C@@H]1CCCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000466616805 1043336740 /nfs/dbraw/zinc/33/67/40/1043336740.db2.gz GFEBEMJGKXITLK-HNNXBMFYSA-N 1 0 343.427 4.094 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1cc(C)ccc1OC ZINC000357776982 1043384085 /nfs/dbraw/zinc/38/40/85/1043384085.db2.gz GLGJLTKVOFZRSR-INIZCTEOSA-N 1 0 344.411 4.161 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3ccsc3)cs2)c1 ZINC000172113008 1043719149 /nfs/dbraw/zinc/71/91/49/1043719149.db2.gz YOXUEAHNSUYNRP-UHFFFAOYSA-N 1 0 345.449 4.112 20 5 EIBDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000078991230 1043823421 /nfs/dbraw/zinc/82/34/21/1043823421.db2.gz QWOZSZKAIWGQBX-QWHCGFSZSA-N 1 0 330.384 4.024 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000442808095 1043839598 /nfs/dbraw/zinc/83/95/98/1043839598.db2.gz GKWKCORSJGNJQQ-HNNXBMFYSA-N 1 0 337.423 4.230 20 5 EIBDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000494617784 1043843648 /nfs/dbraw/zinc/84/36/48/1043843648.db2.gz HAIXTLBFLLMRFR-OXQOHEQNSA-N 1 0 342.439 4.283 20 5 EIBDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000494638722 1043867732 /nfs/dbraw/zinc/86/77/32/1043867732.db2.gz WIYKQJGTIAUHKQ-KHYOSLBOSA-N 1 0 328.412 4.330 20 5 EIBDRO C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000245462409 1043914435 /nfs/dbraw/zinc/91/44/35/1043914435.db2.gz NSKVKFPZFSLGMW-KYNGSXCRSA-N 1 0 326.396 4.166 20 5 EIBDRO Cc1csc([C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000245525161 1043963795 /nfs/dbraw/zinc/96/37/95/1043963795.db2.gz DYZNEFPXTLJCES-DZKIICNBSA-N 1 0 345.468 4.422 20 5 EIBDRO CC(C)[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000301896253 1043993060 /nfs/dbraw/zinc/99/30/60/1043993060.db2.gz UOGQYKKXVRBMON-UHFFFAOYSA-N 1 0 349.475 4.081 20 5 EIBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000067949796 1044081604 /nfs/dbraw/zinc/08/16/04/1044081604.db2.gz PQIZOZKUPPPMJB-AWEZNQCLSA-N 1 0 330.432 4.065 20 5 EIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccccc3Cl)CC2)cc1 ZINC000132475407 1044096845 /nfs/dbraw/zinc/09/68/45/1044096845.db2.gz XDKKNAGIWKBERM-UHFFFAOYSA-N 1 0 345.830 4.007 20 5 EIBDRO CC[C@](C)([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000174502931 1044284783 /nfs/dbraw/zinc/28/47/83/1044284783.db2.gz TTXKTZRSCIWALO-LKUPDRCFSA-N 1 0 331.441 4.288 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000246434321 1044310344 /nfs/dbraw/zinc/31/03/44/1044310344.db2.gz ODFXYCKJPUIFEB-SUNYJGFJSA-N 1 0 326.396 4.119 20 5 EIBDRO Cc1nc2ccc(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)cc2s1 ZINC000494849517 1044444178 /nfs/dbraw/zinc/44/41/78/1044444178.db2.gz XRXIYCZWYJJJOC-UHFFFAOYSA-N 1 0 327.409 4.111 20 5 EIBDRO COc1ccccc1/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000466450359 1044511159 /nfs/dbraw/zinc/51/11/59/1044511159.db2.gz UNZAEGBDUCSZKC-GQCTYLIASA-N 1 0 332.787 4.060 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3ccc(Br)cc32)cc1 ZINC000193159955 1044657205 /nfs/dbraw/zinc/65/72/05/1044657205.db2.gz CFMWQUVEPINMBS-INIZCTEOSA-N 1 0 347.212 4.134 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000734836380 1044695977 /nfs/dbraw/zinc/69/59/77/1044695977.db2.gz CUTAHDIRUXOXGI-CYBMUJFWSA-N 1 0 334.778 4.377 20 5 EIBDRO Cc1cccc(NCc2ccccc2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000555118381 1044770486 /nfs/dbraw/zinc/77/04/86/1044770486.db2.gz MLCCIYLQXOZOQJ-UHFFFAOYSA-N 1 0 325.412 4.111 20 5 EIBDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000154461799 1044797939 /nfs/dbraw/zinc/79/79/39/1044797939.db2.gz SDZPJFYPURHESN-SJKOYZFVSA-N 1 0 334.441 4.135 20 5 EIBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCc2ccccc2C1 ZINC000735493240 1044832625 /nfs/dbraw/zinc/83/26/25/1044832625.db2.gz NPFYWAZFRUDICN-INIZCTEOSA-N 1 0 330.815 4.238 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC4(CCC4)C3)cs2)c1 ZINC000093455779 1044836772 /nfs/dbraw/zinc/83/67/72/1044836772.db2.gz WGDHTVKAYIUUGO-UHFFFAOYSA-N 1 0 329.425 4.094 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](C)COCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000389938922 1044846999 /nfs/dbraw/zinc/84/69/99/1044846999.db2.gz OYBASLFJLSOMEB-JKSUJKDBSA-N 1 0 328.412 4.098 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000154972236 1044853180 /nfs/dbraw/zinc/85/31/80/1044853180.db2.gz QDGCQOISVMWAJQ-PBHICJAKSA-N 1 0 345.468 4.144 20 5 EIBDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000735875162 1044871762 /nfs/dbraw/zinc/87/17/62/1044871762.db2.gz ZTUWBWSHVDMMOZ-SFHVURJKSA-N 1 0 343.402 4.137 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000468602444 1044908838 /nfs/dbraw/zinc/90/88/38/1044908838.db2.gz PACHQNGJGYALAU-JBQASTCHSA-N 1 0 332.444 4.181 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC000543626495 1044974562 /nfs/dbraw/zinc/97/45/62/1044974562.db2.gz CVCVLOAKSCUTIV-IBGZPJMESA-N 1 0 325.412 4.416 20 5 EIBDRO C[C@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCS1 ZINC000922835066 1044980580 /nfs/dbraw/zinc/98/05/80/1044980580.db2.gz CIEFUUHBEQQLQV-WCQYABFASA-N 1 0 349.481 4.092 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000156002838 1044990517 /nfs/dbraw/zinc/99/05/17/1044990517.db2.gz YNOUAYRFFWZBIO-KSZLIROESA-N 1 0 328.416 4.016 20 5 EIBDRO Cc1c([C@H](C)[NH2+]CCCc2nc3ccccc3[nH]2)cccc1[N+](=O)[O-] ZINC000156181622 1045016528 /nfs/dbraw/zinc/01/65/28/1045016528.db2.gz DTVCTHYSAVHVOL-AWEZNQCLSA-N 1 0 338.411 4.063 20 5 EIBDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000738340711 1045051417 /nfs/dbraw/zinc/05/14/17/1045051417.db2.gz ONSSJEUDFOZEQF-CYBMUJFWSA-N 1 0 346.814 4.246 20 5 EIBDRO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000738297791 1045056108 /nfs/dbraw/zinc/05/61/08/1045056108.db2.gz CMQSPOGCSVBJHJ-IBGZPJMESA-N 1 0 343.402 4.007 20 5 EIBDRO Cc1csc([C@@H](C)CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)n1 ZINC000302131844 1045161186 /nfs/dbraw/zinc/16/11/86/1045161186.db2.gz KOUUESWEXZJDHV-JTQLQIEISA-N 1 0 342.424 4.432 20 5 EIBDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000740007093 1045174957 /nfs/dbraw/zinc/17/49/57/1045174957.db2.gz RKYATKASPABCCU-XOBRGWDASA-N 1 0 325.477 4.195 20 5 EIBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC1CC[NH+](C(C)(C)C)CC1 ZINC000302837528 1045202637 /nfs/dbraw/zinc/20/26/37/1045202637.db2.gz XQTWGPKIVLXCBF-UHFFFAOYSA-N 1 0 325.840 4.231 20 5 EIBDRO CC(C)(C)OC1CC(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000762457628 1045247517 /nfs/dbraw/zinc/24/75/17/1045247517.db2.gz SAJUPGNKGUCZDB-UHFFFAOYSA-N 1 0 340.851 4.322 20 5 EIBDRO Cc1ccc(C[NH2+]C2(CCOCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000611168271 1045257818 /nfs/dbraw/zinc/25/78/18/1045257818.db2.gz ZYJJQFKSVBDHDA-UHFFFAOYSA-N 1 0 340.423 4.132 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@H]2CCOc3ccccc32)C2CC2)c1 ZINC000611254778 1045267117 /nfs/dbraw/zinc/26/71/17/1045267117.db2.gz UIMNRMUQQNXKOO-MRXNPFEDSA-N 1 0 338.407 4.126 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(C)ccc2OC)cc1[N+](=O)[O-] ZINC000611335524 1045280681 /nfs/dbraw/zinc/28/06/81/1045280681.db2.gz PEQYGKYZHYGZMC-CQSZACIVSA-N 1 0 344.411 4.161 20 5 EIBDRO COc1ccc(C[N@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000611515138 1045320530 /nfs/dbraw/zinc/32/05/30/1045320530.db2.gz PRVKODXBHADGQL-CQSZACIVSA-N 1 0 344.411 4.113 20 5 EIBDRO CCC[C@@H]([NH2+][C@H](CCOC)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000272595565 1045599866 /nfs/dbraw/zinc/59/98/66/1045599866.db2.gz SQJOZBICARCAMD-IAGOWNOFSA-N 1 0 332.400 4.396 20 5 EIBDRO C[C@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000301116982 1045817831 /nfs/dbraw/zinc/81/78/31/1045817831.db2.gz URDZPBYOMMKASN-HNNXBMFYSA-N 1 0 342.443 4.067 20 5 EIBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000768548856 1045822459 /nfs/dbraw/zinc/82/24/59/1045822459.db2.gz ILAXJXXZGYKKJD-CHWSQXEVSA-N 1 0 328.865 4.354 20 5 EIBDRO NC(=O)CC[C@@H]1CCC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000769187980 1045891331 /nfs/dbraw/zinc/89/13/31/1045891331.db2.gz DCYQWKXZPILQOS-KRWDZBQOSA-N 1 0 346.474 4.471 20 5 EIBDRO CCOc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000153842308 1045910855 /nfs/dbraw/zinc/91/08/55/1045910855.db2.gz LOXSRESNKHIOIE-CQSZACIVSA-N 1 0 344.411 4.161 20 5 EIBDRO CNC(=O)CC[N@H+](C)Cc1c2ccccc2c(Cl)c2ccccc21 ZINC000769316220 1045920838 /nfs/dbraw/zinc/92/08/38/1045920838.db2.gz MXBGCVZOBBSEBF-UHFFFAOYSA-N 1 0 340.854 4.214 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC001170297398 1045981823 /nfs/dbraw/zinc/98/18/23/1045981823.db2.gz NOOIBNLJVKHDPW-KBXCAEBGSA-N 1 0 328.412 4.275 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001170296940 1045982015 /nfs/dbraw/zinc/98/20/15/1045982015.db2.gz IKGYGPBDIGLAML-ACJLOTCBSA-N 1 0 346.402 4.414 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC001170304914 1045983776 /nfs/dbraw/zinc/98/37/76/1045983776.db2.gz HWPAVYKLDUUGNS-CYBMUJFWSA-N 1 0 340.379 4.070 20 5 EIBDRO NC(=O)CCC1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC000769468523 1045986221 /nfs/dbraw/zinc/98/62/21/1045986221.db2.gz LRBVZOSKNXOANZ-UHFFFAOYSA-N 1 0 346.474 4.471 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]C2(C)CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC001170325999 1045998699 /nfs/dbraw/zinc/99/86/99/1045998699.db2.gz ZWPNBGNWDHCAMQ-LBPRGKRZSA-N 1 0 342.386 4.092 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@H](C)c3ccccc32)c([N+](=O)[O-])c1 ZINC001170306552 1046006919 /nfs/dbraw/zinc/00/69/19/1046006919.db2.gz XJQIQCVYXYTSBF-NJSLBKSFSA-N 1 0 340.423 4.373 20 5 EIBDRO CC[N@H+](Cc1ccccc1F)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170352850 1046007486 /nfs/dbraw/zinc/00/74/86/1046007486.db2.gz RUELHWXLLKFLSJ-CQSZACIVSA-N 1 0 346.402 4.196 20 5 EIBDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000152468555 1046064286 /nfs/dbraw/zinc/06/42/86/1046064286.db2.gz OSACKKDAZWMALD-HNNXBMFYSA-N 1 0 331.441 4.123 20 5 EIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C)Cc1ccsc1 ZINC000792880745 1046089769 /nfs/dbraw/zinc/08/97/69/1046089769.db2.gz UOBBWXXFUWQTAJ-GFCCVEGCSA-N 1 0 349.412 4.018 20 5 EIBDRO C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H](c1ccccc1)[NH+](C)C ZINC000769930537 1046114276 /nfs/dbraw/zinc/11/42/76/1046114276.db2.gz LDXZCTXEBQBGAP-UGSOOPFHSA-N 1 0 347.846 4.029 20 5 EIBDRO COc1ccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1C ZINC001170424271 1046119642 /nfs/dbraw/zinc/11/96/42/1046119642.db2.gz LZNBSDCRFWLRRW-SFHVURJKSA-N 1 0 340.423 4.291 20 5 EIBDRO c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000770303694 1046176850 /nfs/dbraw/zinc/17/68/50/1046176850.db2.gz IPGGPHZVTKCETO-XZOQPEGZSA-N 1 0 347.458 4.373 20 5 EIBDRO C[NH+]1C(C)(C)CC(Nc2cc3cc[nH]c3c([N+](=O)[O-])c2)CC1(C)C ZINC001170451839 1046509255 /nfs/dbraw/zinc/50/92/55/1046509255.db2.gz QDQDHUQJFPBSAX-UHFFFAOYSA-N 1 0 330.432 4.139 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000536676554 1046660508 /nfs/dbraw/zinc/66/05/08/1046660508.db2.gz SEZQKLSYTZQROJ-KRZKXXONSA-N 1 0 330.428 4.032 20 5 EIBDRO CC1(C)CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000785568428 1046720442 /nfs/dbraw/zinc/72/04/42/1046720442.db2.gz MUUCLDWTWORCSG-MRXNPFEDSA-N 1 0 331.460 4.122 20 5 EIBDRO O=[N+]([O-])c1ccccc1CN(Cc1ccc2ncccc2c1)C1CC1 ZINC000154309282 1046808971 /nfs/dbraw/zinc/80/89/71/1046808971.db2.gz SSXBWBCIHACIEL-UHFFFAOYSA-N 1 0 333.391 4.308 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCc1ccccn1 ZINC000536846667 1046818354 /nfs/dbraw/zinc/81/83/54/1046818354.db2.gz RNTCIPNDZZBCGR-HNNXBMFYSA-N 1 0 345.468 4.083 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CC2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000536858021 1046826961 /nfs/dbraw/zinc/82/69/61/1046826961.db2.gz MAKOXBKTDCSMNA-AWEZNQCLSA-N 1 0 340.423 4.059 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(C(F)F)CC1 ZINC000459720037 1046864212 /nfs/dbraw/zinc/86/42/12/1046864212.db2.gz WPJKSHTUYZYMOH-LRVUVFPRSA-N 1 0 326.387 4.329 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C[C@@H](O)c1ccccc1 ZINC000786820894 1046875957 /nfs/dbraw/zinc/87/59/57/1046875957.db2.gz MHKASDINDPWCOJ-KNWRRPMDSA-N 1 0 340.423 4.100 20 5 EIBDRO CCC[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCC1 ZINC000459809605 1046888321 /nfs/dbraw/zinc/88/83/21/1046888321.db2.gz SYKUIADUSDWSME-QGZVFWFLSA-N 1 0 343.427 4.351 20 5 EIBDRO CCC[C@@H]([NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC1 ZINC000459802090 1046893090 /nfs/dbraw/zinc/89/30/90/1046893090.db2.gz LZJIAXIAOVSMGJ-MLGOLLRUSA-N 1 0 344.415 4.264 20 5 EIBDRO COc1ccc(C2([NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000537421282 1047192454 /nfs/dbraw/zinc/19/24/54/1047192454.db2.gz DCOFVUQUTKJFSF-AWEZNQCLSA-N 1 0 326.396 4.252 20 5 EIBDRO Cc1ccc([C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000788504200 1047207328 /nfs/dbraw/zinc/20/73/28/1047207328.db2.gz BRYZGPOEHVRPOK-YJYMSZOUSA-N 1 0 325.412 4.287 20 5 EIBDRO C[C@@H]([NH2+]CC1(Sc2ccccc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788594646 1047240510 /nfs/dbraw/zinc/24/05/10/1047240510.db2.gz XCQZUUWKLDAVCA-CYBMUJFWSA-N 1 0 343.452 4.153 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788602802 1047243562 /nfs/dbraw/zinc/24/35/62/1047243562.db2.gz OHQBPJHWLDXGSS-NXEZZACHSA-N 1 0 337.782 4.381 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C(C)C)[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000788622038 1047251689 /nfs/dbraw/zinc/25/16/89/1047251689.db2.gz PCRLCTWOSOFHMX-YSSFQJQWSA-N 1 0 342.439 4.312 20 5 EIBDRO Cc1cc([C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C2CC2)ccc1F ZINC000788685953 1047263675 /nfs/dbraw/zinc/26/36/75/1047263675.db2.gz KZYMFEJMHIAMCA-BUXKBTBVSA-N 1 0 343.402 4.426 20 5 EIBDRO C[C@@H]([NH2+]C1(c2cccc(Cl)c2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788700234 1047270216 /nfs/dbraw/zinc/27/02/16/1047270216.db2.gz AWKZOWNJSPKHRN-LLVKDONJSA-N 1 0 331.803 4.170 20 5 EIBDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000788825205 1047320237 /nfs/dbraw/zinc/32/02/37/1047320237.db2.gz WWUNILPGEDNAFP-KPZWWZAWSA-N 1 0 331.391 4.364 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898323028 1047615442 /nfs/dbraw/zinc/61/54/42/1047615442.db2.gz WHTWZCJXDFYTLD-LIRRHRJNSA-N 1 0 325.412 4.052 20 5 EIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000089512404 1047761409 /nfs/dbraw/zinc/76/14/09/1047761409.db2.gz JBZMMAMANRSLOE-NSHDSACASA-N 1 0 340.301 4.344 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000107898527 1047768783 /nfs/dbraw/zinc/76/87/83/1047768783.db2.gz UHXDUMACOOXSJB-UHFFFAOYSA-N 1 0 346.814 4.044 20 5 EIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H](C)c1nc2ccccc2s1 ZINC000089512111 1047772195 /nfs/dbraw/zinc/77/21/95/1047772195.db2.gz XIWGKOVVINFFRS-STQMWFEESA-N 1 0 341.436 4.486 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000089512405 1047777154 /nfs/dbraw/zinc/77/71/54/1047777154.db2.gz JBZMMAMANRSLOE-LLVKDONJSA-N 1 0 340.301 4.344 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CSc3ccccc32)cc1Cl ZINC000824483697 1047873493 /nfs/dbraw/zinc/87/34/93/1047873493.db2.gz SKUKTXVAKGMHSC-LBPRGKRZSA-N 1 0 334.828 4.227 20 5 EIBDRO CCC[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)OCC ZINC001203249374 1048062360 /nfs/dbraw/zinc/06/23/60/1048062360.db2.gz QCYANPTYEMVCAX-CQSZACIVSA-N 1 0 332.400 4.150 20 5 EIBDRO CCCO[C@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000556878467 1048084205 /nfs/dbraw/zinc/08/42/05/1048084205.db2.gz YZCMZRVYELNCOR-KRWDZBQOSA-N 1 0 334.460 4.499 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000556925061 1048218625 /nfs/dbraw/zinc/21/86/25/1048218625.db2.gz XVQLUZHJBCOROS-TZMCWYRMSA-N 1 0 342.361 4.238 20 5 EIBDRO c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000809687258 1048473685 /nfs/dbraw/zinc/47/36/85/1048473685.db2.gz WBHYISYOGMGTKR-QHCPKHFHSA-N 1 0 347.458 4.374 20 5 EIBDRO C[C@H]([NH2+][C@@H](CC1CC1)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815605954 1048557249 /nfs/dbraw/zinc/55/72/49/1048557249.db2.gz JTADIIYWIITTQO-UGSOOPFHSA-N 1 0 325.412 4.369 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(C(C)(F)F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815637807 1048564905 /nfs/dbraw/zinc/56/49/05/1048564905.db2.gz GPJXXBHRPAQATR-LLVKDONJSA-N 1 0 335.354 4.140 20 5 EIBDRO CC(C)COC[C@@H](O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000920182968 1048565640 /nfs/dbraw/zinc/56/56/40/1048565640.db2.gz WUUOTPKBMFCOCN-IBGZPJMESA-N 1 0 337.463 4.116 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@]4(CC4(F)F)C3)o2)cc1 ZINC000846106476 1048822819 /nfs/dbraw/zinc/82/28/19/1048822819.db2.gz BQPCWQFQDBVLSS-QGZVFWFLSA-N 1 0 348.349 4.476 20 5 EIBDRO CS[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811482108 1049076818 /nfs/dbraw/zinc/07/68/18/1049076818.db2.gz FXRJTKVSFDACIU-QWRGUYRKSA-N 1 0 335.256 4.275 20 5 EIBDRO CS[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811482107 1049077339 /nfs/dbraw/zinc/07/73/39/1049077339.db2.gz FXRJTKVSFDACIU-MNOVXSKESA-N 1 0 335.256 4.275 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000609540743 1049149079 /nfs/dbraw/zinc/14/90/79/1049149079.db2.gz XZJHBFDLDWDXEP-UHFFFAOYSA-N 1 0 340.423 4.024 20 5 EIBDRO CC(C)CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000609676941 1049263703 /nfs/dbraw/zinc/26/37/03/1049263703.db2.gz HTQMPTNSFFKGQS-YOEHRIQHSA-N 1 0 349.475 4.362 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000609916186 1049395842 /nfs/dbraw/zinc/39/58/42/1049395842.db2.gz DKVNTJKHNYSCQV-ZBFHGGJFSA-N 1 0 328.387 4.360 20 5 EIBDRO C[C@H]1C[C@@H](N(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000609964761 1049421282 /nfs/dbraw/zinc/42/12/82/1049421282.db2.gz CRZSZTJZKADTMR-WMZOPIPTSA-N 1 0 339.439 4.084 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000610009936 1049479747 /nfs/dbraw/zinc/47/97/47/1049479747.db2.gz GCEGEXBHPDIHPQ-ZWKOTPCHSA-N 1 0 340.423 4.104 20 5 EIBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cccnc1Cl ZINC000773023444 1049537085 /nfs/dbraw/zinc/53/70/85/1049537085.db2.gz FSNSDWXFDHWKQE-ZDUSSCGKSA-N 1 0 333.819 4.317 20 5 EIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@@H]3C3CCCCC3)CC2)cc1 ZINC000773025865 1049537483 /nfs/dbraw/zinc/53/74/83/1049537483.db2.gz LXENGVOQGMQVBG-WOJBJXKFSA-N 1 0 343.471 4.122 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000773067054 1049561223 /nfs/dbraw/zinc/56/12/23/1049561223.db2.gz HQWRMRXBEGAZON-OAHLLOKOSA-N 1 0 328.412 4.461 20 5 EIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[C@H](O)c1ccccc1 ZINC000812849770 1049610452 /nfs/dbraw/zinc/61/04/52/1049610452.db2.gz JEEYNBKZLMOOTF-ACJLOTCBSA-N 1 0 348.830 4.192 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)cs1 ZINC000237833069 1049777890 /nfs/dbraw/zinc/77/78/90/1049777890.db2.gz CXQTZCSYBWGOBW-UHFFFAOYSA-N 1 0 335.816 4.123 20 5 EIBDRO CCN1CC[C@@H]([N@H+](C)Cc2c3ccccc3cc3ccccc32)CC1=O ZINC001172046679 1049843415 /nfs/dbraw/zinc/84/34/15/1049843415.db2.gz RFIXDIAPHRKYEB-LJQANCHMSA-N 1 0 346.474 4.436 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)c1 ZINC000237992401 1049843483 /nfs/dbraw/zinc/84/34/83/1049843483.db2.gz KYMUOCPBLFPGSW-UHFFFAOYSA-N 1 0 348.402 4.464 20 5 EIBDRO CCn1ccc(C[N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000616737765 1049916170 /nfs/dbraw/zinc/91/61/70/1049916170.db2.gz UCKBMXQVZBSOAK-UHFFFAOYSA-N 1 0 339.395 4.308 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]Cc3cccc(F)c3)o2)c1 ZINC001177153203 1050155425 /nfs/dbraw/zinc/15/54/25/1050155425.db2.gz ILCRPRIIQPVJQY-UHFFFAOYSA-N 1 0 326.327 4.284 20 5 EIBDRO C[NH+](C)CCCC1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC001185819111 1050172698 /nfs/dbraw/zinc/17/26/98/1050172698.db2.gz HOWMDEOZYRJHNO-UHFFFAOYSA-N 1 0 341.402 4.091 20 5 EIBDRO O=[N+]([O-])c1ccc(CN2CC=C(c3ccc(Cl)nc3)CC2)c(F)c1 ZINC000773652297 1050202045 /nfs/dbraw/zinc/20/20/45/1050202045.db2.gz NBWLJZRVFJZKRR-UHFFFAOYSA-N 1 0 347.777 4.072 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1(Cc3ccccc3)CC1)CC2 ZINC001172899953 1050203194 /nfs/dbraw/zinc/20/31/94/1050203194.db2.gz QJDKROHVGVVWPT-IBGZPJMESA-N 1 0 336.435 4.207 20 5 EIBDRO CC[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ncccc1C ZINC001172898190 1050203770 /nfs/dbraw/zinc/20/37/70/1050203770.db2.gz HLVAKFUJVLHQAY-PKOBYXMFSA-N 1 0 339.439 4.287 20 5 EIBDRO [NH3+]Cc1cc2ccccc2n1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898633 1050204110 /nfs/dbraw/zinc/20/41/10/1050204110.db2.gz IDJBBEJNQMIBPK-QGZVFWFLSA-N 1 0 335.407 4.128 20 5 EIBDRO COC1CCC(CC[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172902995 1050205581 /nfs/dbraw/zinc/20/55/81/1050205581.db2.gz OHMLEIHCFRSFKK-RVSXGSNBSA-N 1 0 346.471 4.027 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccc3cnccc31)CC2 ZINC001172907013 1050207083 /nfs/dbraw/zinc/20/70/83/1050207083.db2.gz ZVVGUSLTUWULQP-IBGZPJMESA-N 1 0 347.418 4.180 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccc(F)c1F ZINC001172907024 1050207435 /nfs/dbraw/zinc/20/74/35/1050207435.db2.gz ZXKQEFRXLAMYGE-IUODEOHRSA-N 1 0 346.377 4.471 20 5 EIBDRO C[C@@H](CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC001186080148 1050227749 /nfs/dbraw/zinc/22/77/49/1050227749.db2.gz WMMPKJQOFKDYOR-LBPRGKRZSA-N 1 0 345.365 4.290 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cc(F)cc(F)c1 ZINC001172913637 1050231016 /nfs/dbraw/zinc/23/10/16/1050231016.db2.gz YBXXFEGOULOXMA-KZULUSFZSA-N 1 0 346.377 4.471 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cccc(Cl)c1)CC2 ZINC001172896107 1050231061 /nfs/dbraw/zinc/23/10/61/1050231061.db2.gz LXXPPLKOPVVCSO-QGZVFWFLSA-N 1 0 330.815 4.285 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCc1ccccc1Cl)CC2 ZINC001172896018 1050232289 /nfs/dbraw/zinc/23/22/89/1050232289.db2.gz KXMUAOLDOWGJEO-KRWDZBQOSA-N 1 0 344.842 4.328 20 5 EIBDRO CC[N@H+](Cc1cccs1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922174 1050236480 /nfs/dbraw/zinc/23/64/80/1050236480.db2.gz WSCRKBITNFWQOP-MRXNPFEDSA-N 1 0 330.453 4.426 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@H]1c1cccnc1)CC2 ZINC001172910381 1050245930 /nfs/dbraw/zinc/24/59/30/1050245930.db2.gz YJKFXNMIFUTZED-ICSRJNTNSA-N 1 0 337.423 4.074 20 5 EIBDRO C[C@H]1CC[C@H]([NH2+]Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC001177784259 1050299909 /nfs/dbraw/zinc/29/99/09/1050299909.db2.gz LPPOEJPTPFABDN-XYPYZODXSA-N 1 0 327.222 4.026 20 5 EIBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001177835698 1050312328 /nfs/dbraw/zinc/31/23/28/1050312328.db2.gz USUVARPHBOTOFY-KRWDZBQOSA-N 1 0 347.503 4.202 20 5 EIBDRO CCCCO[C@H]1C[C@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1(C)C ZINC001177967831 1050335266 /nfs/dbraw/zinc/33/52/66/1050335266.db2.gz QKSJPOODFMXLGU-ROUUACIJSA-N 1 0 334.460 4.285 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cc(C)cc(C)c2)c1F ZINC001173177376 1050336052 /nfs/dbraw/zinc/33/60/52/1050336052.db2.gz TYEKUDNCSQDGTJ-CQSZACIVSA-N 1 0 346.402 4.080 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC23CCCCC3)c1F ZINC001173182829 1050338416 /nfs/dbraw/zinc/33/84/16/1050338416.db2.gz UMJOWDJDEIDLSM-CYBMUJFWSA-N 1 0 336.407 4.082 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)CC2CCCCC2)c1F ZINC001173195174 1050340319 /nfs/dbraw/zinc/34/03/19/1050340319.db2.gz CURLIWVZAPZQRR-CYBMUJFWSA-N 1 0 338.423 4.186 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC001173217784 1050350555 /nfs/dbraw/zinc/35/05/55/1050350555.db2.gz GBKOHHFUDALOIH-ORAYPTAESA-N 1 0 328.387 4.406 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC001173219104 1050352208 /nfs/dbraw/zinc/35/22/08/1050352208.db2.gz XDFCWBWBBPRAKE-KKSFZXQISA-N 1 0 347.418 4.300 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC001173219101 1050353586 /nfs/dbraw/zinc/35/35/86/1050353586.db2.gz XDFCWBWBBPRAKE-HRAATJIYSA-N 1 0 347.418 4.300 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nccc(Cl)c1Cl ZINC001173222742 1050355265 /nfs/dbraw/zinc/35/52/65/1050355265.db2.gz YXDZTDAYTDUHKM-SNVBAGLBSA-N 1 0 340.210 4.017 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1ccncc1Cl)C1CC1 ZINC001173223728 1050355400 /nfs/dbraw/zinc/35/54/00/1050355400.db2.gz LGVLUAIKESNRPM-XIKOKIGWSA-N 1 0 345.830 4.315 20 5 EIBDRO COc1ccc([C@H]2CCC[N@@H+]2[C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173225486 1050356998 /nfs/dbraw/zinc/35/69/98/1050356998.db2.gz CMGVGEQBMYWUDM-FOIQADDNSA-N 1 0 340.423 4.372 20 5 EIBDRO COc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173228973 1050357671 /nfs/dbraw/zinc/35/76/71/1050357671.db2.gz OWXKJYJRCFVPIA-DOTOQJQBSA-N 1 0 340.423 4.024 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC001173230023 1050358003 /nfs/dbraw/zinc/35/80/03/1050358003.db2.gz PWXGLSALPUMQBH-HXPMCKFVSA-N 1 0 346.377 4.471 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCSc2ccccc2C1 ZINC001173230811 1050358661 /nfs/dbraw/zinc/35/86/61/1050358661.db2.gz GROYWKKNEURFRC-CQSZACIVSA-N 1 0 328.437 4.134 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnc(Cl)cc1Cl ZINC001173232163 1050360151 /nfs/dbraw/zinc/36/01/51/1050360151.db2.gz DFCSYLABPAKYDS-JTQLQIEISA-N 1 0 340.210 4.017 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(Cl)c(F)cc1F ZINC001173232141 1050360933 /nfs/dbraw/zinc/36/09/33/1050360933.db2.gz CZNHEXNXJAYUOA-SNVBAGLBSA-N 1 0 340.757 4.247 20 5 EIBDRO CCOc1cccc(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC001178231353 1050419520 /nfs/dbraw/zinc/41/95/20/1050419520.db2.gz BMQHVHINGJSILB-UHFFFAOYSA-N 1 0 342.439 4.449 20 5 EIBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001187014307 1050459454 /nfs/dbraw/zinc/45/94/54/1050459454.db2.gz PDLQCHUOVDXZIS-LLVKDONJSA-N 1 0 345.365 4.146 20 5 EIBDRO Cc1cnc([C@@H](C)C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)s1 ZINC001178448994 1050462379 /nfs/dbraw/zinc/46/23/79/1050462379.db2.gz HKKXOYGBFBSYEU-LBPRGKRZSA-N 1 0 333.457 4.376 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001178519567 1050489483 /nfs/dbraw/zinc/48/94/83/1050489483.db2.gz YHMHHXMTPBAEMR-WMZOPIPTSA-N 1 0 340.423 4.104 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCC3(C)C)o2)c([N+](=O)[O-])c1 ZINC001178694854 1050535333 /nfs/dbraw/zinc/53/53/33/1050535333.db2.gz TXLRKDNXMLYPNC-KRWDZBQOSA-N 1 0 330.384 4.142 20 5 EIBDRO CCNc1ccc(Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])cn1 ZINC001187921366 1050648689 /nfs/dbraw/zinc/64/86/89/1050648689.db2.gz SFXSRTLRVWTNSD-UHFFFAOYSA-N 1 0 326.278 4.184 20 5 EIBDRO CO[C@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001179248776 1050659221 /nfs/dbraw/zinc/65/92/21/1050659221.db2.gz WOSZUENIJBASPK-FERCGXDMSA-N 1 0 332.444 4.183 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CCc2ccccc2)c2ccccn2)c1 ZINC001179365469 1050682310 /nfs/dbraw/zinc/68/23/10/1050682310.db2.gz IZMOCZOFXYCVMP-OAQYLSRUSA-N 1 0 347.418 4.454 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC001179386244 1050687354 /nfs/dbraw/zinc/68/73/54/1050687354.db2.gz JBLBOJVKAQGZSC-UHFFFAOYSA-N 1 0 342.292 4.351 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(O)c(Cl)c1 ZINC001179507157 1050713618 /nfs/dbraw/zinc/71/36/18/1050713618.db2.gz QZANCAOFJXZLSL-GHXNOFRVSA-N 1 0 332.787 4.147 20 5 EIBDRO CCO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000775202829 1050851417 /nfs/dbraw/zinc/85/14/17/1050851417.db2.gz WUFYMAQHXCRBTB-KRWDZBQOSA-N 1 0 334.803 4.116 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000198104851 1050865437 /nfs/dbraw/zinc/86/54/37/1050865437.db2.gz POYHBPSJFFJSCX-INIZCTEOSA-N 1 0 340.423 4.337 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cccc2cnccc21)C1CC1 ZINC000183062889 1050949971 /nfs/dbraw/zinc/94/99/71/1050949971.db2.gz DVNADEFCYHARSW-UHFFFAOYSA-N 1 0 333.391 4.308 20 5 EIBDRO CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC001180348767 1050963303 /nfs/dbraw/zinc/96/33/03/1050963303.db2.gz BJNVVATUXXVGAO-RDJZCZTQSA-N 1 0 340.851 4.322 20 5 EIBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CS1 ZINC001180349475 1050965681 /nfs/dbraw/zinc/96/56/81/1050965681.db2.gz MCZHUHMUYOJJBN-UKRRQHHQSA-N 1 0 342.892 4.301 20 5 EIBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccc(F)cc1 ZINC001190474045 1051193952 /nfs/dbraw/zinc/19/39/52/1051193952.db2.gz CGBUXAAIKXYEFI-AWEZNQCLSA-N 1 0 332.375 4.196 20 5 EIBDRO C[C@]1(c2ccccc2)CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001190943702 1051309248 /nfs/dbraw/zinc/30/92/48/1051309248.db2.gz BKSWILDHXIYJOV-FQEVSTJZSA-N 1 0 340.423 4.027 20 5 EIBDRO CC(C)=CCC[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001181891580 1051342695 /nfs/dbraw/zinc/34/26/95/1051342695.db2.gz COHUNXJITFCTJJ-MRXNPFEDSA-N 1 0 331.460 4.288 20 5 EIBDRO CCC[C@]1(C)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001191258257 1051397007 /nfs/dbraw/zinc/39/70/07/1051397007.db2.gz LRBHXUIIIZMSED-LJQANCHMSA-N 1 0 347.459 4.134 20 5 EIBDRO CC(C)[C@@H]1[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(C)C ZINC001182101117 1051398861 /nfs/dbraw/zinc/39/88/61/1051398861.db2.gz YUPZMGSUAFBGKJ-AWEZNQCLSA-N 1 0 330.350 4.480 20 5 EIBDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001182182842 1051412378 /nfs/dbraw/zinc/41/23/78/1051412378.db2.gz FTUVYVUGUJIMKH-CHWSQXEVSA-N 1 0 331.416 4.383 20 5 EIBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001203370401 1051424989 /nfs/dbraw/zinc/42/49/89/1051424989.db2.gz ZLJBDWADZDFRTG-JWXAPSBJSA-N 1 0 346.452 4.225 20 5 EIBDRO CC[C@H]1CCCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000163242128 1051441523 /nfs/dbraw/zinc/44/15/23/1051441523.db2.gz PCIOZUFIFUNOMY-WMLDXEAASA-N 1 0 343.427 4.351 20 5 EIBDRO CCC[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CCC1 ZINC001182285234 1051467372 /nfs/dbraw/zinc/46/73/72/1051467372.db2.gz KKTKPCCARSRHDF-LBPRGKRZSA-N 1 0 347.278 4.477 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2ccccc2[C@H]1C(C)C ZINC001191539293 1051476752 /nfs/dbraw/zinc/47/67/52/1051476752.db2.gz FUWWLRLSOUZBPS-HXUWFJFHSA-N 1 0 340.423 4.359 20 5 EIBDRO C[C@@H](COc1ccccc1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774154201 1051486184 /nfs/dbraw/zinc/48/61/84/1051486184.db2.gz ASSJTLZAEGKVJZ-LIRRHRJNSA-N 1 0 326.396 4.029 20 5 EIBDRO C[S@@](=O)c1ccccc1Nc1ccc2cc3ccc(N)cc3[nH+]c2c1 ZINC001175311305 1051521273 /nfs/dbraw/zinc/52/12/73/1051521273.db2.gz NPPVXPIGJOXLNA-RUZDIDTESA-N 1 0 347.443 4.451 20 5 EIBDRO COc1ccc([C@H](C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC001191683119 1051522004 /nfs/dbraw/zinc/52/20/04/1051522004.db2.gz UWCJBXJWNCNSMU-OAHLLOKOSA-N 1 0 340.423 4.372 20 5 EIBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCC[C@H](C)C1 ZINC001182387751 1051537724 /nfs/dbraw/zinc/53/77/24/1051537724.db2.gz LYAPUAAUANBKNF-ULQDDVLXSA-N 1 0 345.487 4.368 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000774411886 1051582193 /nfs/dbraw/zinc/58/21/93/1051582193.db2.gz SOSJGBGAGSZDJM-QZTJIDSGSA-N 1 0 346.814 4.023 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774446693 1051595960 /nfs/dbraw/zinc/59/59/60/1051595960.db2.gz JSWUZRJSKSCZEJ-VIFPVBQESA-N 1 0 340.210 4.335 20 5 EIBDRO CC(C)Oc1ccc(-c2cccc([C@H](C)[N@H+](C)CC[N+](=O)[O-])c2)cc1 ZINC001192197377 1051654156 /nfs/dbraw/zinc/65/41/56/1051654156.db2.gz GAYQBEBTBSFOCL-INIZCTEOSA-N 1 0 342.439 4.410 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]C[C@](O)(c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC001192627422 1051783656 /nfs/dbraw/zinc/78/36/56/1051783656.db2.gz WLKHGMDYZSDWMH-OXJNMPFZSA-N 1 0 342.439 4.098 20 5 EIBDRO Cc1c(C[N@H+]2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)cccc1[N+](=O)[O-] ZINC001175927592 1051845536 /nfs/dbraw/zinc/84/55/36/1051845536.db2.gz ZVHUEYJERQEXHN-INIZCTEOSA-N 1 0 342.443 4.129 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001183652842 1051878077 /nfs/dbraw/zinc/87/80/77/1051878077.db2.gz WDBZBJQPIOSRQL-KBPBESRZSA-N 1 0 343.383 4.175 20 5 EIBDRO C[C@@H]([NH2+]CCCOc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC001176028587 1051879576 /nfs/dbraw/zinc/87/95/76/1051879576.db2.gz NSSDPRFQRPNCOU-CYBMUJFWSA-N 1 0 334.803 4.368 20 5 EIBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2c(Br)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001193649803 1051967587 /nfs/dbraw/zinc/96/75/87/1051967587.db2.gz XPGPLBSFFJXYKY-UHIISALHSA-N 1 0 341.249 4.272 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001184239318 1051976812 /nfs/dbraw/zinc/97/68/12/1051976812.db2.gz LNWDZONWQYGETD-OAHLLOKOSA-N 1 0 337.206 4.159 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@@H](C)c1ccccc1 ZINC001176366160 1052043127 /nfs/dbraw/zinc/04/31/27/1052043127.db2.gz XYWLHSQOKKSYBX-HNAYVOBHSA-N 1 0 340.423 4.372 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCOC12CCCC2 ZINC001176823347 1052195967 /nfs/dbraw/zinc/19/59/67/1052195967.db2.gz BLKJECMRCQBOQA-ZDUSSCGKSA-N 1 0 345.226 4.093 20 5 EIBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C(C)(C)C[NH+](C)C ZINC001185414638 1052242298 /nfs/dbraw/zinc/24/22/98/1052242298.db2.gz UUQWZGGDQSEUDQ-AWEZNQCLSA-N 1 0 342.443 4.045 20 5 EIBDRO CC[N@H+](C[C@@H](O)c1ccc(C)cc1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000764282158 1053051893 /nfs/dbraw/zinc/05/18/93/1053051893.db2.gz CIPIAKCNYJMWRM-DNVCBOLYSA-N 1 0 328.412 4.020 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](O)c1cc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000120075896 1053279572 /nfs/dbraw/zinc/27/95/72/1053279572.db2.gz DDCUXIPHOFXNAH-MLGOLLRUSA-N 1 0 342.420 4.194 20 5 EIBDRO CC1=Nc2ccccc2C12CC[NH+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC001195694620 1053462201 /nfs/dbraw/zinc/46/22/01/1053462201.db2.gz PAMWUIOELNPVFF-UHFFFAOYSA-N 1 0 335.407 4.235 20 5 EIBDRO C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(F)c1 ZINC000765361814 1053516371 /nfs/dbraw/zinc/51/63/71/1053516371.db2.gz YHAIMZJUVIDJBL-LIRRHRJNSA-N 1 0 342.414 4.448 20 5 EIBDRO COc1ccc(OCC[NH+]2CCC3(CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC001195937333 1053516621 /nfs/dbraw/zinc/51/66/21/1053516621.db2.gz BWMFTQQKZPKNEC-UHFFFAOYSA-N 1 0 348.443 4.029 20 5 EIBDRO CCCC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccc(C)o1 ZINC000776579606 1053564231 /nfs/dbraw/zinc/56/42/31/1053564231.db2.gz NZKHNCYLYJXMTK-MAUKXSAKSA-N 1 0 346.427 4.393 20 5 EIBDRO Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776585872 1053567824 /nfs/dbraw/zinc/56/78/24/1053567824.db2.gz BMMIOFRYYJYMTG-WOJBJXKFSA-N 1 0 340.423 4.082 20 5 EIBDRO Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776585870 1053568767 /nfs/dbraw/zinc/56/87/67/1053568767.db2.gz BMMIOFRYYJYMTG-UXHICEINSA-N 1 0 340.423 4.082 20 5 EIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](C3CCCCC3)C2)c1 ZINC001196410142 1053665702 /nfs/dbraw/zinc/66/57/02/1053665702.db2.gz NKSGZBYLMFPRBV-QGZVFWFLSA-N 1 0 332.444 4.266 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000866311848 1053686744 /nfs/dbraw/zinc/68/67/44/1053686744.db2.gz KIEMAKKNTONKSI-MEBBXXQBSA-N 1 0 335.379 4.011 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC001197068839 1053832189 /nfs/dbraw/zinc/83/21/89/1053832189.db2.gz DCUWKFQMLUPJTE-MRXNPFEDSA-N 1 0 338.835 4.172 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000121901328 1053855195 /nfs/dbraw/zinc/85/51/95/1053855195.db2.gz YUBGZGJTXZEFQW-QZTJIDSGSA-N 1 0 344.411 4.056 20 5 EIBDRO C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001197658204 1053961059 /nfs/dbraw/zinc/96/10/59/1053961059.db2.gz DXHLFUWIKWMQOO-BEFAXECRSA-N 1 0 326.396 4.057 20 5 EIBDRO C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001197658225 1053961183 /nfs/dbraw/zinc/96/11/83/1053961183.db2.gz DXHLFUWIKWMQOO-KXBFYZLASA-N 1 0 326.396 4.057 20 5 EIBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC001168570332 1054117574 /nfs/dbraw/zinc/11/75/74/1054117574.db2.gz MWWXAUHFUPBMIS-PWSUYJOCSA-N 1 0 327.222 4.120 20 5 EIBDRO C[C@@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000173362860 1054217818 /nfs/dbraw/zinc/21/78/18/1054217818.db2.gz NSKVKFPZFSLGMW-CCKFTAQKSA-N 1 0 326.396 4.166 20 5 EIBDRO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872035771 1054352582 /nfs/dbraw/zinc/35/25/82/1054352582.db2.gz YSLLSFUYCAOSGR-CQSZACIVSA-N 1 0 345.418 4.036 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC)C1CCOCC1 ZINC000872040406 1054355331 /nfs/dbraw/zinc/35/53/31/1054355331.db2.gz LJSRTTAUTIQOAY-LRDDRELGSA-N 1 0 338.473 4.173 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1cnccc1C ZINC000872043913 1054358724 /nfs/dbraw/zinc/35/87/24/1054358724.db2.gz ODCLDUZOGVRLKG-CHWSQXEVSA-N 1 0 331.441 4.432 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872078188 1054381054 /nfs/dbraw/zinc/38/10/54/1054381054.db2.gz FTBWSHSSTZVQEN-UONOGXRCSA-N 1 0 331.391 4.191 20 5 EIBDRO COCC(C)(C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872104723 1054390365 /nfs/dbraw/zinc/39/03/65/1054390365.db2.gz NZTIJDRDMCZVDM-GFCCVEGCSA-N 1 0 326.462 4.030 20 5 EIBDRO Cc1cc([C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C2CC2)ccc1F ZINC000776032495 1054490578 /nfs/dbraw/zinc/49/05/78/1054490578.db2.gz WBXUEMBYRHRQFA-GOSISDBHSA-N 1 0 332.350 4.422 20 5 EIBDRO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000858508655 1054505927 /nfs/dbraw/zinc/50/59/27/1054505927.db2.gz QARMCFJTUMWROI-DJIMGWMZSA-N 1 0 349.475 4.202 20 5 EIBDRO CC[C@H]([NH2+]Cc1cc(C)nc2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC001201770893 1054901880 /nfs/dbraw/zinc/90/18/80/1054901880.db2.gz ZZCSXFRDSAUTBA-IBGZPJMESA-N 1 0 339.439 4.418 20 5 EIBDRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001201911142 1054949304 /nfs/dbraw/zinc/94/93/04/1054949304.db2.gz MIGZYOJFRRKQHP-QGZVFWFLSA-N 1 0 340.423 4.122 20 5 EIBDRO Cc1ccccc1[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(C)(C)C ZINC000877082229 1055016289 /nfs/dbraw/zinc/01/62/89/1055016289.db2.gz OHACIJICNYTENP-JMLCCBQJSA-N 1 0 342.443 4.180 20 5 EIBDRO Cc1csc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)n1 ZINC000877813656 1055125207 /nfs/dbraw/zinc/12/52/07/1055125207.db2.gz IVOYHTBMEVCSQB-GFCCVEGCSA-N 1 0 337.832 4.003 20 5 EIBDRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878448555 1055312415 /nfs/dbraw/zinc/31/24/15/1055312415.db2.gz SYRITRFURPBWQA-DZGCQCFKSA-N 1 0 344.415 4.093 20 5 EIBDRO CC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCCC[C@@H]1C ZINC000878474793 1055319721 /nfs/dbraw/zinc/31/97/21/1055319721.db2.gz FMQOIDIXOVZRKL-ZFWWWQNUSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000765811845 1055473447 /nfs/dbraw/zinc/47/34/47/1055473447.db2.gz VUFXFTBHFNJIOU-FZKQIMNGSA-N 1 0 348.830 4.115 20 5 EIBDRO O=[N+]([O-])c1c(F)cccc1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000301528005 1055664086 /nfs/dbraw/zinc/66/40/86/1055664086.db2.gz OFLLXAKNXFKENN-AWEZNQCLSA-N 1 0 335.404 4.044 20 5 EIBDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000742177406 1058549256 /nfs/dbraw/zinc/54/92/56/1058549256.db2.gz FKXHOOOCTJSYTQ-GOSISDBHSA-N 1 0 344.459 4.017 20 5 EIBDRO Cc1ccc(N2CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000743843591 1059137378 /nfs/dbraw/zinc/13/73/78/1059137378.db2.gz YXRHXTQKOMJUSI-KRWDZBQOSA-N 1 0 339.439 4.177 20 5 EIBDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000746141232 1060044465 /nfs/dbraw/zinc/04/44/65/1060044465.db2.gz SVORCCVZJXAQCY-IBGZPJMESA-N 1 0 344.386 4.252 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)cc2)C1 ZINC001168964957 1060558564 /nfs/dbraw/zinc/55/85/64/1060558564.db2.gz WTFRMEDSYLDRHW-DLBZAZTESA-N 1 0 326.396 4.014 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3C(F)(F)F)CCC2)C1 ZINC001168993636 1060569537 /nfs/dbraw/zinc/56/95/37/1060569537.db2.gz OBYMIUUOBWAISF-CHWSQXEVSA-N 1 0 342.361 4.120 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(Cc3cccc(Cl)c3)CC2)C1 ZINC001169013431 1060577650 /nfs/dbraw/zinc/57/76/50/1060577650.db2.gz UYGGIUXQUNYAQP-FUHWJXTLSA-N 1 0 336.863 4.040 20 5 EIBDRO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987466 1060580602 /nfs/dbraw/zinc/58/06/02/1060580602.db2.gz IVYJWITXOOZINL-NILFDRSVSA-N 1 0 345.270 4.350 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2Cl)C1 ZINC001168988364 1060585649 /nfs/dbraw/zinc/58/56/49/1060585649.db2.gz RGWPNHUVHNHZQF-KWQFWETISA-N 1 0 337.634 4.182 20 5 EIBDRO C[N@H+](Cc1cccc(Oc2ccccc2)c1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046672 1060601166 /nfs/dbraw/zinc/60/11/66/1060601166.db2.gz LRWFHQHMNOXXCH-ZWKOTPCHSA-N 1 0 340.423 4.356 20 5 EIBDRO C[N@H+](Cc1cccc(Oc2ccccc2)c1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046671 1060602852 /nfs/dbraw/zinc/60/28/52/1060602852.db2.gz LRWFHQHMNOXXCH-ROUUACIJSA-N 1 0 340.423 4.356 20 5 EIBDRO CC(C)[C@@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001169381760 1060794260 /nfs/dbraw/zinc/79/42/60/1060794260.db2.gz CDUSRIGXALVHIA-GFCCVEGCSA-N 1 0 341.249 4.225 20 5 EIBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001169683755 1060896694 /nfs/dbraw/zinc/89/66/94/1060896694.db2.gz OITZPYXMOYUJHQ-QGZVFWFLSA-N 1 0 348.406 4.383 20 5 EIBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccnc2c1cccc2[N+](=O)[O-] ZINC001169689638 1060900454 /nfs/dbraw/zinc/90/04/54/1060900454.db2.gz GZLVECDTRAVFMZ-MRXNPFEDSA-N 1 0 348.406 4.383 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(Br)s1)c1cccc([N+](=O)[O-])c1 ZINC000037775511 213166278 /nfs/dbraw/zinc/16/62/78/213166278.db2.gz BPDSTFWODITDPJ-SECBINFHSA-N 1 0 341.230 4.270 20 5 EIBDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000034995601 213004136 /nfs/dbraw/zinc/00/41/36/213004136.db2.gz HOWIVZXCGDBSLF-MFKMUULPSA-N 1 0 327.222 4.026 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1cccs1 ZINC000034996387 213003330 /nfs/dbraw/zinc/00/33/30/213003330.db2.gz LJVBQFLHUNWHHF-SECBINFHSA-N 1 0 341.230 4.270 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H](C3CC3)C3CCC3)cs2)c1 ZINC000453628546 1032057674 /nfs/dbraw/zinc/05/76/74/1032057674.db2.gz XPESCXPPZSQARZ-QGZVFWFLSA-N 1 0 343.452 4.387 20 5 EIBDRO CC[NH+](CC)CCC[C@@H](C)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000450213346 1032351276 /nfs/dbraw/zinc/35/12/76/1032351276.db2.gz VSXQKPJMTBQAEG-CQSZACIVSA-N 1 0 330.432 4.065 20 5 EIBDRO CCC1(C)CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000532943681 1032405258 /nfs/dbraw/zinc/40/52/58/1032405258.db2.gz QSNDQJDGZUCMTH-UHFFFAOYSA-N 1 0 343.427 4.304 20 5 EIBDRO Cc1ccc(C[NH+]2CCC(N(C)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000512379611 1032587247 /nfs/dbraw/zinc/58/72/47/1032587247.db2.gz LWTJWACESSRZCU-UHFFFAOYSA-N 1 0 339.439 4.004 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CCC[C@@H]3C3CCC3)c2c1 ZINC000728195782 1019323604 /nfs/dbraw/zinc/32/36/04/1019323604.db2.gz GYDWDFUMMHJAMW-CYBMUJFWSA-N 1 0 333.413 4.094 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000609234834 1019884832 /nfs/dbraw/zinc/88/48/32/1019884832.db2.gz RDAUOARGMIVXME-SMDDNHRTSA-N 1 0 332.404 4.120 20 5 EIBDRO COc1ccc([C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C(C)C)cc1 ZINC000547738387 1019913181 /nfs/dbraw/zinc/91/31/81/1019913181.db2.gz BQIFUWCKNBTRJN-IBGZPJMESA-N 1 0 328.412 4.133 20 5 EIBDRO C[NH2+]Cc1cn(-c2ccc3ccc([N+](=O)[O-])cc3n2)c2ccc(C)cc12 ZINC001167122716 1020264227 /nfs/dbraw/zinc/26/42/27/1020264227.db2.gz ABYNRCKJNHPWOG-UHFFFAOYSA-N 1 0 346.390 4.115 20 5 EIBDRO COCC1(C)CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000500770954 1032889470 /nfs/dbraw/zinc/88/94/70/1032889470.db2.gz MTKOXBQFQIMHIJ-UHFFFAOYSA-N 1 0 344.411 4.103 20 5 EIBDRO CCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CCCCC1 ZINC001167145597 1020365360 /nfs/dbraw/zinc/36/53/60/1020365360.db2.gz HFLCCIDJWNHSOC-UHFFFAOYSA-N 1 0 330.432 4.263 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccc(F)cc1)C(C)C ZINC001167218142 1020575449 /nfs/dbraw/zinc/57/54/49/1020575449.db2.gz MWRAAHYKRVAZNS-UHFFFAOYSA-N 1 0 332.375 4.153 20 5 EIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC001167251973 1020677880 /nfs/dbraw/zinc/67/78/80/1020677880.db2.gz PFHWBOZKJDJGAY-QGZVFWFLSA-N 1 0 332.444 4.408 20 5 EIBDRO CN1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c2ccccc21 ZINC000578522182 1020708177 /nfs/dbraw/zinc/70/81/77/1020708177.db2.gz DMABDWFRQOWBBL-MSOLQXFVSA-N 1 0 337.423 4.143 20 5 EIBDRO O=[N+]([O-])c1ccc(N[C@H](C[NH+]2CCCCC2)c2ccccc2)c(F)c1 ZINC000610279239 1020910254 /nfs/dbraw/zinc/91/02/54/1020910254.db2.gz GSUJEKQTCBYAKM-LJQANCHMSA-N 1 0 343.402 4.373 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000578905677 1021032765 /nfs/dbraw/zinc/03/27/65/1021032765.db2.gz FQAJQWFUWADMEW-MOXGXCLJSA-N 1 0 338.407 4.092 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](c3ccccc3)C3CCC3)nc2c1 ZINC000083186390 1021081089 /nfs/dbraw/zinc/08/10/89/1021081089.db2.gz CWIQAESVOAWXJV-IBGZPJMESA-N 1 0 337.379 4.367 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCCOCC2CC2)c2ccccc2)c1 ZINC000180019454 1021339171 /nfs/dbraw/zinc/33/91/71/1021339171.db2.gz CXJIEDRMQKREAA-FQEVSTJZSA-N 1 0 340.423 4.091 20 5 EIBDRO CC(C)(C)OC1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001207057481 1021653152 /nfs/dbraw/zinc/65/31/52/1021653152.db2.gz GZKRZIKJGVWZOB-UHFFFAOYSA-N 1 0 340.851 4.464 20 5 EIBDRO C[C@H](CCc1ccsc1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000581034743 1021824260 /nfs/dbraw/zinc/82/42/60/1021824260.db2.gz AUCILNRSHNYJJW-CYBMUJFWSA-N 1 0 343.452 4.291 20 5 EIBDRO C[C@H](NCC[C@H](C)[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000379635505 1021845779 /nfs/dbraw/zinc/84/57/79/1021845779.db2.gz WFWVNABPEOQOKJ-IRXDYDNUSA-N 1 0 341.455 4.156 20 5 EIBDRO COc1ccccc1C(C)(C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000610420451 1021850860 /nfs/dbraw/zinc/85/08/60/1021850860.db2.gz KJXKNNPSEWBAPN-CQSZACIVSA-N 1 0 328.412 4.232 20 5 EIBDRO CC[C@H]([NH2+][C@H]1CCCC[C@H]1n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000247255233 1021870920 /nfs/dbraw/zinc/87/09/20/1021870920.db2.gz YNOUAYRFFWZBIO-OKZBNKHCSA-N 1 0 328.416 4.016 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)c2ncccc2C)cc1[N+](=O)[O-] ZINC000581889012 1021888660 /nfs/dbraw/zinc/88/86/60/1021888660.db2.gz CFMBHKVWUHQLTR-HNNXBMFYSA-N 1 0 327.428 4.235 20 5 EIBDRO C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CS1 ZINC000414236071 1022251165 /nfs/dbraw/zinc/25/11/65/1022251165.db2.gz VHSJQFYWDLAKFT-RPVQJOFSSA-N 1 0 328.437 4.168 20 5 EIBDRO COc1ccsc1[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000471601558 1022300835 /nfs/dbraw/zinc/30/08/35/1022300835.db2.gz JKEAKLZNYMMRAL-SNVBAGLBSA-N 1 0 340.832 4.212 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC[C@@H]2CCCCO2)c2ccccc2)c1 ZINC000180263275 1022402901 /nfs/dbraw/zinc/40/29/01/1022402901.db2.gz XUQCBABKTUNHTF-PMACEKPBSA-N 1 0 340.423 4.233 20 5 EIBDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000110243899 1022439563 /nfs/dbraw/zinc/43/95/63/1022439563.db2.gz PNGKHJYTNXNCFT-SJORKVTESA-N 1 0 348.443 4.156 20 5 EIBDRO COCC1CCC([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000414301776 1022457860 /nfs/dbraw/zinc/45/78/60/1022457860.db2.gz BVIZHVVKWUVWBH-KXWSQRDISA-N 1 0 346.471 4.101 20 5 EIBDRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000414341885 1022643478 /nfs/dbraw/zinc/64/34/78/1022643478.db2.gz OVHYYJAKDLKNEB-AXHNFQJDSA-N 1 0 326.396 4.058 20 5 EIBDRO CCC[C@@H](CCO)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180677648 1022784467 /nfs/dbraw/zinc/78/44/67/1022784467.db2.gz ZLAVGMJSNSBYMW-JXFKEZNVSA-N 1 0 342.439 4.073 20 5 EIBDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000378405694 1022807232 /nfs/dbraw/zinc/80/72/32/1022807232.db2.gz SEXIBGOBOBHKPV-CJNGLKHVSA-N 1 0 342.395 4.086 20 5 EIBDRO CCOC1CC(CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000188787720 1022845824 /nfs/dbraw/zinc/84/58/24/1022845824.db2.gz RMKLDWLUGIPWCX-UHFFFAOYSA-N 1 0 344.411 4.150 20 5 EIBDRO COCCC1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180965393 1022869206 /nfs/dbraw/zinc/86/92/06/1022869206.db2.gz XVZXGRFAACTISB-LJQANCHMSA-N 1 0 340.423 4.091 20 5 EIBDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000610580772 1023218089 /nfs/dbraw/zinc/21/80/89/1023218089.db2.gz HHTOOYAZZSTJBB-QGZVFWFLSA-N 1 0 337.379 4.382 20 5 EIBDRO O=[N+]([O-])c1ccc(N2CCC(CCCn3ccnc3)CC2)c(Cl)c1 ZINC000782979875 1023249208 /nfs/dbraw/zinc/24/92/08/1023249208.db2.gz QAMQSRXSFYMMAH-UHFFFAOYSA-N 1 0 348.834 4.142 20 5 EIBDRO CC(C)OCC(C)(C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414550819 1023255552 /nfs/dbraw/zinc/25/55/52/1023255552.db2.gz NTPLRICZXPNMQU-UHFFFAOYSA-N 1 0 349.456 4.012 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1F ZINC000417328391 1023259147 /nfs/dbraw/zinc/25/91/47/1023259147.db2.gz SMSXAVIVGUWYMV-SFHVURJKSA-N 1 0 344.386 4.300 20 5 EIBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000610511625 1023406110 /nfs/dbraw/zinc/40/61/10/1023406110.db2.gz SJOPNAPIADADTD-UONOGXRCSA-N 1 0 330.350 4.362 20 5 EIBDRO CCCCCn1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000566519224 1023446061 /nfs/dbraw/zinc/44/60/61/1023446061.db2.gz HUJUKBKZUKXVJM-AWEZNQCLSA-N 1 0 330.432 4.141 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2csc(-c3ccsc3)n2)cc1 ZINC000105448093 1023451423 /nfs/dbraw/zinc/45/14/23/1023451423.db2.gz JHVRYUVVNUEREH-UHFFFAOYSA-N 1 0 345.449 4.112 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCC(F)(F)F)o1 ZINC000561522264 1023470968 /nfs/dbraw/zinc/47/09/68/1023470968.db2.gz BYHUORVUAKVTES-UHFFFAOYSA-N 1 0 328.290 4.287 20 5 EIBDRO CC(C)c1ccc(C[NH+]2CCC(OC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000418089675 1023522467 /nfs/dbraw/zinc/52/24/67/1023522467.db2.gz JLYPNWFUHROWBE-UHFFFAOYSA-N 1 0 332.444 4.252 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000468600246 1023607405 /nfs/dbraw/zinc/60/74/05/1023607405.db2.gz KVXWKLQQYTZSLU-ADYSOMBNSA-N 1 0 342.370 4.251 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(CNCc2ccc(F)c(Cl)c2)c1 ZINC000053149397 1023620052 /nfs/dbraw/zinc/62/00/52/1023620052.db2.gz NJJBHXUGAUWOEF-UHFFFAOYSA-N 1 0 329.158 4.331 20 5 EIBDRO COCC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCC1 ZINC000500394809 1023784405 /nfs/dbraw/zinc/78/44/05/1023784405.db2.gz MSKCHMSAPNFLQH-UHFFFAOYSA-N 1 0 346.452 4.230 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(C(C)(C)O)cc1 ZINC000925694768 1023789167 /nfs/dbraw/zinc/78/91/67/1023789167.db2.gz SUCOUVFWVMDKJT-KBPBESRZSA-N 1 0 328.412 4.234 20 5 EIBDRO CSCC[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000566809997 1023822069 /nfs/dbraw/zinc/82/20/69/1023822069.db2.gz YCYVAYYVZKCWPJ-JTQLQIEISA-N 1 0 336.379 4.187 20 5 EIBDRO CCC(O)(CC)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000471798793 1023859347 /nfs/dbraw/zinc/85/93/47/1023859347.db2.gz LOXVSUHTOMNADX-IBGZPJMESA-N 1 0 342.439 4.215 20 5 EIBDRO C[C@H](c1ccco1)N(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549796583 1033201935 /nfs/dbraw/zinc/20/19/35/1033201935.db2.gz COQMTEAYDYMGOZ-SNVBAGLBSA-N 1 0 328.290 4.400 20 5 EIBDRO CC(C)(C)OC1CC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000432243724 1024732697 /nfs/dbraw/zinc/73/26/97/1024732697.db2.gz XLFOTTDTTSTSKG-UHFFFAOYSA-N 1 0 340.851 4.322 20 5 EIBDRO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000610741101 1024805080 /nfs/dbraw/zinc/80/50/80/1024805080.db2.gz DUNFEUFSVKXFCI-UONOGXRCSA-N 1 0 346.452 4.228 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2ccc(F)cn2)s1 ZINC000610787701 1024850596 /nfs/dbraw/zinc/85/05/96/1024850596.db2.gz CSCJXVRMZNVBTC-UHFFFAOYSA-N 1 0 343.383 4.147 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000610860086 1025073469 /nfs/dbraw/zinc/07/34/69/1025073469.db2.gz GWSHGRXVFNVCJG-BQLWYNFJSA-N 1 0 330.428 4.080 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1C)c1cccc([N+](=O)[O-])c1 ZINC000342158005 1025353042 /nfs/dbraw/zinc/35/30/42/1025353042.db2.gz GFJXIXWDUYCBOT-KRWDZBQOSA-N 1 0 344.411 4.161 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000538460112 1025421568 /nfs/dbraw/zinc/42/15/68/1025421568.db2.gz SWEIXGIQYIVURR-CZUORRHYSA-N 1 0 345.830 4.178 20 5 EIBDRO CC[C@@H]([NH2+][C@H]1CCc2ccccc2OC1)c1cccc([N+](=O)[O-])c1 ZINC000511038505 1025793924 /nfs/dbraw/zinc/79/39/24/1025793924.db2.gz RHAGWCWHZAGNCZ-FUHWJXTLSA-N 1 0 326.396 4.029 20 5 EIBDRO CC[C@@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1cccc([N+](=O)[O-])c1 ZINC000511038506 1025794768 /nfs/dbraw/zinc/79/47/68/1025794768.db2.gz RHAGWCWHZAGNCZ-SJLPKXTDSA-N 1 0 326.396 4.029 20 5 EIBDRO COCC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000342340059 1025895060 /nfs/dbraw/zinc/89/50/60/1025895060.db2.gz OXWHFNMXKICDHL-YJBOKZPZSA-N 1 0 328.412 4.332 20 5 EIBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2ccsc2S1 ZINC000344090270 1025995025 /nfs/dbraw/zinc/99/50/25/1025995025.db2.gz LYTSNPAGJLXEAE-BXUZGUMPSA-N 1 0 334.466 4.414 20 5 EIBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C12CCCCC2 ZINC001167538881 1025997902 /nfs/dbraw/zinc/99/79/02/1025997902.db2.gz FZFMBAHHQMXZNR-OALUTQOASA-N 1 0 346.471 4.463 20 5 EIBDRO Cc1nc(C)c(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000279199587 1026195377 /nfs/dbraw/zinc/19/53/77/1026195377.db2.gz XGJAEDYIWGUAKO-OAHLLOKOSA-N 1 0 331.441 4.180 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000158050216 1026199551 /nfs/dbraw/zinc/19/95/51/1026199551.db2.gz GIXFNWCZVFARBC-ZTNFWEORSA-N 1 0 340.423 4.474 20 5 EIBDRO COCC[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000279219252 1026216103 /nfs/dbraw/zinc/21/61/03/1026216103.db2.gz YVKHHFGCMXJNAV-IRXDYDNUSA-N 1 0 344.411 4.278 20 5 EIBDRO CC[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC000551586998 1026225483 /nfs/dbraw/zinc/22/54/83/1026225483.db2.gz VGWQDISXYHCSTM-UHFFFAOYSA-N 1 0 331.441 4.483 20 5 EIBDRO C[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000512199878 1026423194 /nfs/dbraw/zinc/42/31/94/1026423194.db2.gz VVDPLQGGXCKGOT-ZDUSSCGKSA-N 1 0 331.441 4.340 20 5 EIBDRO CCC(CC)[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC(C)C ZINC001167563686 1026459416 /nfs/dbraw/zinc/45/94/16/1026459416.db2.gz XMQXODOKOKIIBC-UHFFFAOYSA-N 1 0 346.431 4.291 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCOc3ccccc32)cccc1[N+](=O)[O-] ZINC000158382507 1026704303 /nfs/dbraw/zinc/70/43/03/1026704303.db2.gz ATVYAZQEPJERRZ-HUUCEWRRSA-N 1 0 326.396 4.120 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000441379199 1027504115 /nfs/dbraw/zinc/50/41/15/1027504115.db2.gz FIAGQGNEDIMUSI-GOEBONIOSA-N 1 0 328.387 4.360 20 5 EIBDRO CC[C@@H](Cc1ccccc1)[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1OC ZINC001168074686 1027737887 /nfs/dbraw/zinc/73/78/87/1027737887.db2.gz 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CSc1ccccc1[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000440631222 1028270096 /nfs/dbraw/zinc/27/00/96/1028270096.db2.gz WZBQOTCCSNASTK-ZDUSSCGKSA-N 1 0 332.425 4.046 20 5 EIBDRO CCC[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000583491982 1028809894 /nfs/dbraw/zinc/80/98/94/1028809894.db2.gz KQHKPMNEPZUISQ-QAPCUYQASA-N 1 0 326.396 4.202 20 5 EIBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000525127558 1029466754 /nfs/dbraw/zinc/46/67/54/1029466754.db2.gz IGRAJCKDUVYAPV-KRWDZBQOSA-N 1 0 328.412 4.057 20 5 EIBDRO C[C@@H](CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)OCc1ccccc1 ZINC000475311727 1029521002 /nfs/dbraw/zinc/52/10/02/1029521002.db2.gz VXBVCXUJAJCOHZ-HOTGVXAUSA-N 1 0 328.412 4.241 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000475329172 1029539907 /nfs/dbraw/zinc/53/99/07/1029539907.db2.gz AVYMYEIKCBULLO-CZUORRHYSA-N 1 0 332.350 4.299 20 5 EIBDRO COCCC[C@H](Cc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000475333034 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PNFOTEHVMFNXAP-UHFFFAOYSA-N 1 0 328.412 4.228 20 5 EIBDRO COC[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000447589565 1030193835 /nfs/dbraw/zinc/19/38/35/1030193835.db2.gz YDUDFUYMDRLOJE-RBUKOAKNSA-N 1 0 344.386 4.089 20 5 EIBDRO COC1CCC(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447595896 1030198834 /nfs/dbraw/zinc/19/88/34/1030198834.db2.gz BAERUCMTBBIVHF-YVNUBYTISA-N 1 0 332.444 4.157 20 5 EIBDRO CCCCn1cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c(C)n1 ZINC000447576488 1030202256 /nfs/dbraw/zinc/20/22/56/1030202256.db2.gz YROZFAQGMAQRIP-LJQANCHMSA-N 1 0 342.443 4.067 20 5 EIBDRO Cc1cc(C[NH+](C)C)cc(N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000447599130 1030220285 /nfs/dbraw/zinc/22/02/85/1030220285.db2.gz WULHVXCYLAOLEE-HXUWFJFHSA-N 1 0 339.439 4.454 20 5 EIBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(C2CC2)c1 ZINC000451118057 1030245026 /nfs/dbraw/zinc/24/50/26/1030245026.db2.gz WPOHYYCWHMABJQ-GFCCVEGCSA-N 1 0 336.395 4.199 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)c1cnn(C2CCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000925232837 1030269739 /nfs/dbraw/zinc/26/97/39/1030269739.db2.gz ZGXLYIBVZRXHIC-UGSOOPFHSA-N 1 0 328.416 4.318 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@H+](CC3CC3)C3CCC3)cs2)c1 ZINC000475669408 1030374651 /nfs/dbraw/zinc/37/46/51/1030374651.db2.gz DHPCTROCNRZORS-UHFFFAOYSA-N 1 0 343.452 4.483 20 5 EIBDRO CC(C)(C)c1cnc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000447941319 1030430542 /nfs/dbraw/zinc/43/05/42/1030430542.db2.gz QPENMXGSOQHDGJ-UHFFFAOYSA-N 1 0 347.484 4.461 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCCN(C)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000451866308 1030747864 /nfs/dbraw/zinc/74/78/64/1030747864.db2.gz JLCCSNSZGOTTSX-KBXCAEBGSA-N 1 0 325.412 4.217 20 5 EIBDRO Cc1[nH]c2ccccc2c1CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000237714821 1030856134 /nfs/dbraw/zinc/85/61/34/1030856134.db2.gz WPPAUHUDABEMIL-SOFGYWHQSA-N 1 0 335.407 4.230 20 5 EIBDRO Cc1ccc(OC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc1C ZINC000520042608 1031001687 /nfs/dbraw/zinc/00/16/87/1031001687.db2.gz UFFHHGNRWSZCFT-UHFFFAOYSA-N 1 0 340.423 4.255 20 5 EIBDRO C[C@@H]([NH2+]CCc1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000532440631 1031068683 /nfs/dbraw/zinc/06/86/83/1031068683.db2.gz SZPJCQONMNEKFB-GFCCVEGCSA-N 1 0 336.338 4.090 20 5 EIBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000532522967 1031242591 /nfs/dbraw/zinc/24/25/91/1031242591.db2.gz LNOKHKUMNBUPAY-YVEFUNNKSA-N 1 0 334.803 4.287 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C[C@H](C)O)c1ccccc1 ZINC000532541057 1031252836 /nfs/dbraw/zinc/25/28/36/1031252836.db2.gz IHZVZABJKSBSRI-BQFCYCMXSA-N 1 0 342.439 4.109 20 5 EIBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)c1ccc(F)cc1 ZINC000516198725 1031319057 /nfs/dbraw/zinc/31/90/57/1031319057.db2.gz ZUVLXDDIAVGXHD-CYBMUJFWSA-N 1 0 332.375 4.326 20 5 EIBDRO C[C@@H](C[NH2+][C@@H]1CCOC2(CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897461087 1031391020 /nfs/dbraw/zinc/39/10/20/1031391020.db2.gz YOOGYEMRHJSYAM-JKSUJKDBSA-N 1 0 332.444 4.170 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000449099716 1031444241 /nfs/dbraw/zinc/44/42/41/1031444241.db2.gz OWDPSXZPGSSZIW-UIAACRFSSA-N 1 0 340.423 4.036 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000449127682 1031463104 /nfs/dbraw/zinc/46/31/04/1031463104.db2.gz PSQLCRNXBLHMAB-CYBMUJFWSA-N 1 0 347.484 4.112 20 5 EIBDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237561264 1031465356 /nfs/dbraw/zinc/46/53/56/1031465356.db2.gz AIOMQYLOOLOWLQ-BLLLJJGKSA-N 1 0 331.441 4.387 20 5 EIBDRO COc1ccc2c(c1)CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C2 ZINC000612419762 1031500987 /nfs/dbraw/zinc/50/09/87/1031500987.db2.gz NPOGYMWTFCWISO-WMLDXEAASA-N 1 0 340.423 4.120 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000449183542 1031519944 /nfs/dbraw/zinc/51/99/44/1031519944.db2.gz KYPRKPSKULSQHW-UMVBOHGHSA-N 1 0 344.377 4.484 20 5 EIBDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449248022 1031564719 /nfs/dbraw/zinc/56/47/19/1031564719.db2.gz HONCEWNVBYOJFQ-UONOGXRCSA-N 1 0 344.459 4.137 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000449348702 1031644375 /nfs/dbraw/zinc/64/43/75/1031644375.db2.gz NMCJNGXXEAEGBO-LBPRGKRZSA-N 1 0 336.338 4.090 20 5 EIBDRO COc1ccc(C[N@H+]2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000449357992 1031678756 /nfs/dbraw/zinc/67/87/56/1031678756.db2.gz BNZAAEXLNSVRML-DMDPSCGWSA-N 1 0 346.349 4.155 20 5 EIBDRO Cc1c(-c2noc([C@H]3CCC[N@@H+]3C3CCCC3)n2)cccc1[N+](=O)[O-] ZINC000453261590 1031784670 /nfs/dbraw/zinc/78/46/70/1031784670.db2.gz RZDZQDZMKXBWBV-MRXNPFEDSA-N 1 0 342.399 4.033 20 5 EIBDRO C[C@@H]([NH2+]CC[C@H](C)CCO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453263814 1031787464 /nfs/dbraw/zinc/78/74/64/1031787464.db2.gz YZKSJOOPPLQJMM-UONOGXRCSA-N 1 0 348.468 4.383 20 5 EIBDRO CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000453323412 1031848980 /nfs/dbraw/zinc/84/89/80/1031848980.db2.gz UFONPAONQJSZRM-ZMYBRWDISA-N 1 0 332.444 4.013 20 5 EIBDRO CCCc1ncc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000449610398 1031872044 /nfs/dbraw/zinc/87/20/44/1031872044.db2.gz GKYAEJKUSMSTGW-RHSMWYFYSA-N 1 0 343.427 4.036 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H](c2cccs2)C1 ZINC000449622252 1031884300 /nfs/dbraw/zinc/88/43/00/1031884300.db2.gz JORAXZLGLSPZMZ-KMFMINBZSA-N 1 0 346.452 4.097 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H](c2cccs2)C1 ZINC000449622253 1031885084 /nfs/dbraw/zinc/88/50/84/1031885084.db2.gz JORAXZLGLSPZMZ-UKPHBRMFSA-N 1 0 346.452 4.097 20 5 EIBDRO CC[C@@H](COC)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000531969745 1031900314 /nfs/dbraw/zinc/90/03/14/1031900314.db2.gz HCVKHNBLZVZDII-STQMWFEESA-N 1 0 334.441 4.399 20 5 EIBDRO C[C@H]([NH2+]CCC1(CO)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453365795 1031906562 /nfs/dbraw/zinc/90/65/62/1031906562.db2.gz WAARQKCKHGHMEP-ZDUSSCGKSA-N 1 0 346.452 4.137 20 5 EIBDRO CCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531992212 1031956580 /nfs/dbraw/zinc/95/65/80/1031956580.db2.gz ZCPKJSWJLNJRKS-OAHLLOKOSA-N 1 0 328.412 4.461 20 5 EIBDRO CC1(C)C[C@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000453583735 1032030782 /nfs/dbraw/zinc/03/07/82/1032030782.db2.gz PKSYITXOSJJDBK-CQSZACIVSA-N 1 0 344.411 4.150 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532124860 1032054203 /nfs/dbraw/zinc/05/42/03/1032054203.db2.gz KEFIRLAXHQPQCY-CABCVRRESA-N 1 0 348.443 4.100 20 5 EIBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2cccnc21 ZINC000614215657 1033802697 /nfs/dbraw/zinc/80/26/97/1033802697.db2.gz VHNZASGYNLMSHF-IBGZPJMESA-N 1 0 339.439 4.322 20 5 EIBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCc3c2cccc3O)c2cc([N+](=O)[O-])ccc21 ZINC000433125196 1033895492 /nfs/dbraw/zinc/89/54/92/1033895492.db2.gz IJLZCKPZNSZUAJ-ZWKOTPCHSA-N 1 0 338.407 4.300 20 5 EIBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433163413 1033961052 /nfs/dbraw/zinc/96/10/52/1033961052.db2.gz BRYQFOUSFDXZPO-ORAYPTAESA-N 1 0 340.423 4.244 20 5 EIBDRO CCC1([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000382554880 1034008475 /nfs/dbraw/zinc/00/84/75/1034008475.db2.gz HYVGCNSANFBNBW-UHFFFAOYSA-N 1 0 327.222 4.170 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]CCC[C@H]2CCCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433239809 1034076533 /nfs/dbraw/zinc/07/65/33/1034076533.db2.gz LZDILCONDOPCIW-CRAIPNDOSA-N 1 0 332.444 4.256 20 5 EIBDRO CC1(C)[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)[C@@H]2CCCO[C@H]21 ZINC000433281836 1034149016 /nfs/dbraw/zinc/14/90/16/1034149016.db2.gz LAYIGTFQILRTBT-VIBAHUMZSA-N 1 0 344.455 4.110 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000433283915 1034187120 /nfs/dbraw/zinc/18/71/20/1034187120.db2.gz DOFPSZPKDUCKQW-ZWKOTPCHSA-N 1 0 332.444 4.112 20 5 EIBDRO C[N@@H+]1CC[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000473519194 1034738591 /nfs/dbraw/zinc/73/85/91/1034738591.db2.gz MYHSLWFUFZJFLR-MJGOQNOKSA-N 1 0 348.406 4.000 20 5 EIBDRO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Cl)cc1 ZINC000345313508 1035191749 /nfs/dbraw/zinc/19/17/49/1035191749.db2.gz JAZDNNBPFWGWLS-CQSZACIVSA-N 1 0 344.802 4.365 20 5 EIBDRO O=[N+]([O-])c1cc(CN[C@H]2CCCOc3c(Cl)cccc32)cs1 ZINC000345695099 1035282813 /nfs/dbraw/zinc/28/28/13/1035282813.db2.gz SGWBPOPGZLRWMB-ZDUSSCGKSA-N 1 0 338.816 4.313 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000595022084 1035510129 /nfs/dbraw/zinc/51/01/29/1035510129.db2.gz ICAQUFLVZWPZCN-CYBMUJFWSA-N 1 0 344.386 4.473 20 5 EIBDRO CC(C)[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000594993834 1035520738 /nfs/dbraw/zinc/52/07/38/1035520738.db2.gz RLWXUDREINOWAX-MRXNPFEDSA-N 1 0 331.441 4.243 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595003685 1035530163 /nfs/dbraw/zinc/53/01/63/1035530163.db2.gz JQIBJPDQDIGTNS-KBPBESRZSA-N 1 0 344.411 4.414 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000595003923 1035530824 /nfs/dbraw/zinc/53/08/24/1035530824.db2.gz NNEQVQFQDLHSAT-ORAYPTAESA-N 1 0 326.396 4.405 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000595040612 1035564072 /nfs/dbraw/zinc/56/40/72/1035564072.db2.gz HZLACTCPJWPNGK-QWHCGFSZSA-N 1 0 344.436 4.144 20 5 EIBDRO C[C@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000595047670 1035567321 /nfs/dbraw/zinc/56/73/21/1035567321.db2.gz DZRZDKDDYHMZAW-AUUYWEPGSA-N 1 0 325.412 4.151 20 5 EIBDRO C[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000595047165 1035567655 /nfs/dbraw/zinc/56/76/55/1035567655.db2.gz BAXFPXUIUKXVIE-UGSOOPFHSA-N 1 0 325.412 4.106 20 5 EIBDRO CCC[C@@H]([NH2+]CCc1noc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000595047218 1035568221 /nfs/dbraw/zinc/56/82/21/1035568221.db2.gz BZUFPLGFDVBUJA-QGZVFWFLSA-N 1 0 339.395 4.410 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1cc(COC)cs1)c1cccc([N+](=O)[O-])c1 ZINC000595077674 1035591290 /nfs/dbraw/zinc/59/12/90/1035591290.db2.gz PNXCIZXEPRBJRF-QGZVFWFLSA-N 1 0 334.441 4.434 20 5 EIBDRO Cc1noc(C[N@@H+](C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000595334487 1035632198 /nfs/dbraw/zinc/63/21/98/1035632198.db2.gz QYBHFRFVRBCKES-PWSUYJOCSA-N 1 0 337.807 4.169 20 5 EIBDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000485070514 1035659154 /nfs/dbraw/zinc/65/91/54/1035659154.db2.gz CYACQEPXTWQXQK-CQSZACIVSA-N 1 0 344.411 4.195 20 5 EIBDRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491016011 1035784361 /nfs/dbraw/zinc/78/43/61/1035784361.db2.gz BFLLFOVQTSXFMN-XPGWFJOJSA-N 1 0 340.423 4.231 20 5 EIBDRO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC(F)CC1 ZINC000595819972 1035791250 /nfs/dbraw/zinc/79/12/50/1035791250.db2.gz RKOQNTDMOCWKKY-OPFPJEHXSA-N 1 0 347.390 4.256 20 5 EIBDRO COC(C)(C)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237130072 1035815331 /nfs/dbraw/zinc/81/53/31/1035815331.db2.gz PUVNPGRSFWVKFF-UHFFFAOYSA-N 1 0 348.374 4.041 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cnccc1C(F)(F)F ZINC000596114345 1035829652 /nfs/dbraw/zinc/82/96/52/1035829652.db2.gz AKTKAZSTAQFSAJ-NSHDSACASA-N 1 0 339.317 4.168 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC4(CCC4)CC3)co2)cc1 ZINC000586783198 1035846504 /nfs/dbraw/zinc/84/65/04/1035846504.db2.gz BDWDGLHQOSDXES-UHFFFAOYSA-N 1 0 327.384 4.016 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1cccc([N+](=O)[O-])c1 ZINC000586790612 1035848203 /nfs/dbraw/zinc/84/82/03/1035848203.db2.gz NSEYICRDRMZAJR-XHDPSFHLSA-N 1 0 341.367 4.244 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1)c1cccc([N+](=O)[O-])c1 ZINC000586790611 1035848466 /nfs/dbraw/zinc/84/84/66/1035848466.db2.gz NSEYICRDRMZAJR-NHYWBVRUSA-N 1 0 341.367 4.244 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](c1cccnc1)C(C)C ZINC000164159164 1035979333 /nfs/dbraw/zinc/97/93/33/1035979333.db2.gz XPPFTCFTAKOSBH-KXBFYZLASA-N 1 0 327.428 4.389 20 5 EIBDRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000502431514 1036194799 /nfs/dbraw/zinc/19/47/99/1036194799.db2.gz AWHGZMJGHGLSMA-UGFHNGPFSA-N 1 0 328.334 4.282 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000502522830 1036288831 /nfs/dbraw/zinc/28/88/31/1036288831.db2.gz NHHLHYSQLCURGU-KCPJHIHWSA-N 1 0 328.359 4.104 20 5 EIBDRO CCSCCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000502563736 1036356995 /nfs/dbraw/zinc/35/69/95/1036356995.db2.gz AAPQGLNNSPOKCN-SFHVURJKSA-N 1 0 330.453 4.417 20 5 EIBDRO CC1(C)C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000156794062 1036405884 /nfs/dbraw/zinc/40/58/84/1036405884.db2.gz NHBVJCCFJFGCMI-HKUYNNGSSA-N 1 0 340.423 4.231 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000156793919 1036407501 /nfs/dbraw/zinc/40/75/01/1036407501.db2.gz NHBVJCCFJFGCMI-MJGOQNOKSA-N 1 0 340.423 4.231 20 5 EIBDRO C[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000093920678 1036438723 /nfs/dbraw/zinc/43/87/23/1036438723.db2.gz KOAMZFKMNKVOOJ-NFOMZHRRSA-N 1 0 348.443 4.146 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c(Cl)c1 ZINC000588934107 1036606599 /nfs/dbraw/zinc/60/65/99/1036606599.db2.gz AQAWRUPLYYPEHK-SJLPKXTDSA-N 1 0 346.814 4.258 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCSC3)o2)cc1 ZINC000588928749 1036609795 /nfs/dbraw/zinc/60/97/95/1036609795.db2.gz QOKLAWWQCCJJLD-CYBMUJFWSA-N 1 0 332.425 4.088 20 5 EIBDRO C[NH+](C)[C@@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])c1cccs1 ZINC000589103486 1036656605 /nfs/dbraw/zinc/65/66/05/1036656605.db2.gz MMLFXPHRMCVRNQ-ZDUSSCGKSA-N 1 0 341.383 4.309 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(c2cccnc2)CC1 ZINC000589196673 1036703960 /nfs/dbraw/zinc/70/39/60/1036703960.db2.gz RLOJNBVIDXVEBP-VBKFSLOCSA-N 1 0 337.423 4.273 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(C)OCCc2sccc21 ZINC000589349730 1036758688 /nfs/dbraw/zinc/75/86/88/1036758688.db2.gz UTBDTCMGFSQOLF-SCLBCKFNSA-N 1 0 346.452 4.103 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1csc(C(C)C)n1 ZINC000156985107 1036785529 /nfs/dbraw/zinc/78/55/29/1036785529.db2.gz FNCGFQFLTRJFRC-ZDUSSCGKSA-N 1 0 333.457 4.376 20 5 EIBDRO Cc1ccc(C(C)(C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)nc1 ZINC000599070125 1036869614 /nfs/dbraw/zinc/86/96/14/1036869614.db2.gz LIVMPEFBTDVKHN-HNNXBMFYSA-N 1 0 327.428 4.235 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000599068863 1036870007 /nfs/dbraw/zinc/87/00/07/1036870007.db2.gz QFMADZKVGBAZJF-FOIQADDNSA-N 1 0 339.439 4.442 20 5 EIBDRO COc1ccc([C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C2CC2)cn1 ZINC000599095582 1036876471 /nfs/dbraw/zinc/87/64/71/1036876471.db2.gz HPCKOZONCIXXCZ-DJJJIMSYSA-N 1 0 341.411 4.109 20 5 EIBDRO CC[C@@H]([NH2+][C@H](c1ccc(OC)nc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000599096640 1036876779 /nfs/dbraw/zinc/87/67/79/1036876779.db2.gz USFYKYCQYRWAKM-MJGOQNOKSA-N 1 0 341.411 4.190 20 5 EIBDRO C[C@@]1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCS1 ZINC000133632878 1036886726 /nfs/dbraw/zinc/88/67/26/1036886726.db2.gz PRCXYQZLVWTYQX-INIZCTEOSA-N 1 0 349.481 4.094 20 5 EIBDRO CCCOc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000589938010 1036892415 /nfs/dbraw/zinc/89/24/15/1036892415.db2.gz LLLXEPNAQXNBFW-UHFFFAOYSA-N 1 0 328.412 4.409 20 5 EIBDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](c2ccccc2)O1)c1cccc([N+](=O)[O-])c1 ZINC000593718465 1036925911 /nfs/dbraw/zinc/92/59/11/1036925911.db2.gz HSAPDOBVDPFIIY-ZOCIIQOWSA-N 1 0 326.396 4.166 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC1(OC)CCC1 ZINC000590258908 1037024309 /nfs/dbraw/zinc/02/43/09/1037024309.db2.gz LLTBELPZKMBRNR-AWEZNQCLSA-N 1 0 338.473 4.014 20 5 EIBDRO COc1ccc(C[N@H+](C)[C@@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000603840687 1037025124 /nfs/dbraw/zinc/02/51/24/1037025124.db2.gz SQTMHPWJINREDY-LBPRGKRZSA-N 1 0 334.803 4.450 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2cccc3cc[nH]c32)cc(C(F)(F)F)c1 ZINC000487186689 1037032234 /nfs/dbraw/zinc/03/22/34/1037032234.db2.gz KPFDOIOPTUMLEJ-UHFFFAOYSA-N 1 0 349.312 4.385 20 5 EIBDRO COc1ccc(C[N@H+](C)[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000603837224 1037032713 /nfs/dbraw/zinc/03/27/13/1037032713.db2.gz LVZZTYVUSWWQNL-QGZVFWFLSA-N 1 0 326.396 4.113 20 5 EIBDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2C)cc1[N+](=O)[O-] ZINC000603857527 1037050420 /nfs/dbraw/zinc/05/04/20/1037050420.db2.gz WPFQDHXFXIJYTG-KRWDZBQOSA-N 1 0 326.396 4.249 20 5 EIBDRO Cc1cc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1F ZINC000487213992 1037051611 /nfs/dbraw/zinc/05/16/11/1037051611.db2.gz DHSIMMPRFZYRNA-UHFFFAOYSA-N 1 0 342.292 4.351 20 5 EIBDRO C[C@H]1CCC[N@H+](CCCCNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000603860174 1037069643 /nfs/dbraw/zinc/06/96/43/1037069643.db2.gz YNGIHBWFXYWHLL-HNNXBMFYSA-N 1 0 342.443 4.067 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCCC4(CC4)CC3)co2)cc1 ZINC000599673363 1037115059 /nfs/dbraw/zinc/11/50/59/1037115059.db2.gz PODRWASJXYDFSJ-UHFFFAOYSA-N 1 0 327.384 4.016 20 5 EIBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000604012594 1037148332 /nfs/dbraw/zinc/14/83/32/1037148332.db2.gz TZEQSWFGZPWQSG-IBGZPJMESA-N 1 0 326.396 4.201 20 5 EIBDRO C[C@@H]([NH2+]C(C)(C)CNc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000488067259 1037343362 /nfs/dbraw/zinc/34/33/62/1037343362.db2.gz QNCOWKQHZXDKPG-CYBMUJFWSA-N 1 0 331.391 4.275 20 5 EIBDRO CCC1(O)CCC([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591347915 1037391634 /nfs/dbraw/zinc/39/16/34/1037391634.db2.gz BWRYXYKJRYZLJZ-ZCDLSOSASA-N 1 0 332.444 4.036 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](Nc1cnn(-c3cc[nH+]cc3)c1)CCCC2 ZINC000591348146 1037391657 /nfs/dbraw/zinc/39/16/57/1037391657.db2.gz YXOJZCQYRVOMMK-LJQANCHMSA-N 1 0 349.394 4.055 20 5 EIBDRO COc1cccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC(C)C)c1 ZINC000604494657 1037407152 /nfs/dbraw/zinc/40/71/52/1037407152.db2.gz RXFPSSOFGTVTSE-UHFFFAOYSA-N 1 0 328.412 4.262 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)CC(F)F ZINC000592392499 1037784060 /nfs/dbraw/zinc/78/40/60/1037784060.db2.gz YBVJEIPUASGPKU-RYUDHWBXSA-N 1 0 332.416 4.346 20 5 EIBDRO COc1cc(C[NH2+]C2(c3ccccc3C)CCC2)ccc1[N+](=O)[O-] ZINC000593038353 1037906711 /nfs/dbraw/zinc/90/67/11/1037906711.db2.gz DFBXAYRHIPGBFH-UHFFFAOYSA-N 1 0 326.396 4.081 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCCOC1 ZINC000503903451 1037977327 /nfs/dbraw/zinc/97/73/27/1037977327.db2.gz SOPQJPSSEIZPSN-UONOGXRCSA-N 1 0 346.452 4.228 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc3c2CCCN3)cccc1[N+](=O)[O-] ZINC000423416485 1038221831 /nfs/dbraw/zinc/22/18/31/1038221831.db2.gz QQRTUEZDTJWGQF-CQSZACIVSA-N 1 0 325.412 4.112 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490056590 1038325057 /nfs/dbraw/zinc/32/50/57/1038325057.db2.gz PXYXSTSUQVJDED-NVXWUHKLSA-N 1 0 325.412 4.232 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000594502497 1038349117 /nfs/dbraw/zinc/34/91/17/1038349117.db2.gz JGZGYNQYXDZFMO-INIZCTEOSA-N 1 0 348.349 4.016 20 5 EIBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H]1CC=CCC1 ZINC001168405435 1038388080 /nfs/dbraw/zinc/38/80/80/1038388080.db2.gz YPDAPHYACZQBQD-GFCCVEGCSA-N 1 0 328.334 4.402 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](c2ccccc2F)C(C)C)cc1[N+](=O)[O-] ZINC000594969167 1038484682 /nfs/dbraw/zinc/48/46/82/1038484682.db2.gz NPCCCRFIGUTIBH-GOSISDBHSA-N 1 0 332.375 4.229 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000539048839 1038813570 /nfs/dbraw/zinc/81/35/70/1038813570.db2.gz FDNPYHFOMVYDHD-AUUYWEPGSA-N 1 0 325.412 4.052 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CCSCC)cc1[N+](=O)[O-] ZINC000504899465 1038833519 /nfs/dbraw/zinc/83/35/19/1038833519.db2.gz HCPUIBNLYMRLCI-STQMWFEESA-N 1 0 326.462 4.176 20 5 EIBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCCCC2)s1 ZINC000064029315 1038950399 /nfs/dbraw/zinc/95/03/99/1038950399.db2.gz DKCFHLVZICMWRR-UHFFFAOYSA-N 1 0 331.441 4.254 20 5 EIBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000481172948 1039094570 /nfs/dbraw/zinc/09/45/70/1039094570.db2.gz GMNNDZHVPNRCOS-IIYDPXPESA-N 1 0 329.400 4.164 20 5 EIBDRO CCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000537635583 1039318518 /nfs/dbraw/zinc/31/85/18/1039318518.db2.gz DMZYTCPULDMQFK-HGTDOAKYSA-N 1 0 344.455 4.134 20 5 EIBDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000481344020 1039327379 /nfs/dbraw/zinc/32/73/79/1039327379.db2.gz JKPYWXNAWNOUBN-SCLBCKFNSA-N 1 0 348.830 4.157 20 5 EIBDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000481415998 1039403317 /nfs/dbraw/zinc/40/33/17/1039403317.db2.gz YNCRMPFDWBKEJE-FZKQIMNGSA-N 1 0 348.830 4.422 20 5 EIBDRO Cc1c(CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478484593 1039795335 /nfs/dbraw/zinc/79/53/35/1039795335.db2.gz BWISLWPTUZINNJ-KXBFYZLASA-N 1 0 345.487 4.036 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]CCc2ccc3ccccc3n2)cccc1[N+](=O)[O-] ZINC000481719288 1039798290 /nfs/dbraw/zinc/79/82/90/1039798290.db2.gz BQXNEMFETDIHAL-OAHLLOKOSA-N 1 0 335.407 4.345 20 5 EIBDRO CC(C)C[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534842741 1039817101 /nfs/dbraw/zinc/81/71/01/1039817101.db2.gz KKOVDEZPOXAIJX-AWEZNQCLSA-N 1 0 329.400 4.118 20 5 EIBDRO Cc1cc(C)c([C@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)c1 ZINC000577447542 1039825736 /nfs/dbraw/zinc/82/57/36/1039825736.db2.gz HOFXAGOXRVEEJD-INIZCTEOSA-N 1 0 342.443 4.115 20 5 EIBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000514318836 1039833850 /nfs/dbraw/zinc/83/38/50/1039833850.db2.gz UBAVWJYABUVMBC-IBGZPJMESA-N 1 0 343.427 4.098 20 5 EIBDRO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000122135315 1039882861 /nfs/dbraw/zinc/88/28/61/1039882861.db2.gz NQLQAIMPYGSDJS-CYBMUJFWSA-N 1 0 333.457 4.424 20 5 EIBDRO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000482517580 1040313233 /nfs/dbraw/zinc/31/32/33/1040313233.db2.gz ZSVQUNJOXIGPFU-DSOSXZHWSA-N 1 0 328.334 4.271 20 5 EIBDRO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000482517579 1040313751 /nfs/dbraw/zinc/31/37/51/1040313751.db2.gz ZSVQUNJOXIGPFU-CGDMSBDMSA-N 1 0 328.334 4.271 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2nccs2)s1 ZINC000171052087 1040376067 /nfs/dbraw/zinc/37/60/67/1040376067.db2.gz IYVVWBGBBBTNST-UHFFFAOYSA-N 1 0 345.449 4.112 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000539424247 1040432240 /nfs/dbraw/zinc/43/22/40/1040432240.db2.gz VBXRZOUEXZMXBT-IBGZPJMESA-N 1 0 344.386 4.292 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000539507839 1040501388 /nfs/dbraw/zinc/50/13/88/1040501388.db2.gz JXZNTBLQQRDAIO-LPMFXHHGSA-N 1 0 346.402 4.469 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2nc3cc(Cl)ccc3s2)cc1 ZINC000539529601 1040522031 /nfs/dbraw/zinc/52/20/31/1040522031.db2.gz GRTJMYZSSIKDDU-UHFFFAOYSA-N 1 0 347.827 4.190 20 5 EIBDRO Cc1c([C@@H](C)Nc2ccc(N3CCCCC3)cn2)cccc1[N+](=O)[O-] ZINC000539626572 1040626608 /nfs/dbraw/zinc/62/66/08/1040626608.db2.gz ANXFEPVFCBZLBU-OAHLLOKOSA-N 1 0 340.427 4.462 20 5 EIBDRO COc1ccc(C2([NH2+][C@H](C)CCc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000539624061 1040627119 /nfs/dbraw/zinc/62/71/19/1040627119.db2.gz CVDBWKRVXJXMGO-OAHLLOKOSA-N 1 0 340.423 4.203 20 5 EIBDRO Cc1cc(C)[nH+]c(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000122293993 1040649334 /nfs/dbraw/zinc/64/93/34/1040649334.db2.gz YIBIJIDOGSUYSZ-UHFFFAOYSA-N 1 0 340.408 4.342 20 5 EIBDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000192789299 1040661813 /nfs/dbraw/zinc/66/18/13/1040661813.db2.gz RPHMXXZBRRTGKN-ZIAGYGMSSA-N 1 0 344.411 4.332 20 5 EIBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC(C)(C)C1 ZINC000483114247 1040712469 /nfs/dbraw/zinc/71/24/69/1040712469.db2.gz WIHZIIWYGVYUNT-INIZCTEOSA-N 1 0 329.400 4.260 20 5 EIBDRO CCc1ccc([C@H]([NH2+][C@@H]2CC[C@@H](F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000554093039 1040777677 /nfs/dbraw/zinc/77/76/77/1040777677.db2.gz UIVIOIXKYXMNTI-HBUWYVDXSA-N 1 0 332.375 4.320 20 5 EIBDRO C[C@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(C)(C)C1 ZINC000539829044 1040824025 /nfs/dbraw/zinc/82/40/25/1040824025.db2.gz UMLUFCMVHUFPLX-GFCCVEGCSA-N 1 0 331.441 4.339 20 5 EIBDRO Cc1cc(NCc2ccc(C[NH+]3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000515539527 1040839679 /nfs/dbraw/zinc/83/96/79/1040839679.db2.gz VEYDMOZHUVMJDN-UHFFFAOYSA-N 1 0 325.412 4.111 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)c1 ZINC000462727439 1040862946 /nfs/dbraw/zinc/86/29/46/1040862946.db2.gz VVQXHVVELRFRBU-OAHLLOKOSA-N 1 0 345.830 4.007 20 5 EIBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)Oc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000483619124 1040915719 /nfs/dbraw/zinc/91/57/19/1040915719.db2.gz GQIFPMNEHPJJEA-JSGCOSHPSA-N 1 0 332.375 4.160 20 5 EIBDRO CC[C@H]([NH2+][C@H]1COc2c1ccc(C)c2C)c1cccc([N+](=O)[O-])c1 ZINC000537977662 1040945194 /nfs/dbraw/zinc/94/51/94/1040945194.db2.gz PDNXYTRRUDZSCG-ROUUACIJSA-N 1 0 326.396 4.386 20 5 EIBDRO Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537976857 1040947575 /nfs/dbraw/zinc/94/75/75/1040947575.db2.gz LRRHFQHZABNWOA-RHSMWYFYSA-N 1 0 326.396 4.304 20 5 EIBDRO Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000537978164 1040949204 /nfs/dbraw/zinc/94/92/04/1040949204.db2.gz JAOWJSMMSXQHND-WMLDXEAASA-N 1 0 326.396 4.304 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCOC1CCCCC1)C1CC1 ZINC000480159136 1041014987 /nfs/dbraw/zinc/01/49/87/1041014987.db2.gz KOCZKAXCMHJRFZ-IBGZPJMESA-N 1 0 346.471 4.245 20 5 EIBDRO C[C@H](CCO)[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000540054595 1041077836 /nfs/dbraw/zinc/07/78/36/1041077836.db2.gz ZJUHJYSAPYWBJK-CQSZACIVSA-N 1 0 348.830 4.021 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2c[nH]nc2-c2ccsc2)cc1[N+](=O)[O-] ZINC000436307692 1041078273 /nfs/dbraw/zinc/07/82/73/1041078273.db2.gz LENOUXYWNAFFRB-GFCCVEGCSA-N 1 0 342.424 4.206 20 5 EIBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)C1CCCCC1 ZINC000462930343 1041111130 /nfs/dbraw/zinc/11/11/30/1041111130.db2.gz RPVFWCIGUUYDCA-SFHVURJKSA-N 1 0 342.443 4.065 20 5 EIBDRO CC[C@H](CSC)[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000538194846 1041161051 /nfs/dbraw/zinc/16/10/51/1041161051.db2.gz LUJJQCBHNIWYNJ-OLZOCXBDSA-N 1 0 328.503 4.197 20 5 EIBDRO COC[C@H]([NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000540149482 1041198924 /nfs/dbraw/zinc/19/89/24/1041198924.db2.gz UUUXOVHLKPAONH-DOMZBBRYSA-N 1 0 346.452 4.399 20 5 EIBDRO CCC[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000540153795 1041201387 /nfs/dbraw/zinc/20/13/87/1041201387.db2.gz ISRUPALSVZMNDD-WOJBJXKFSA-N 1 0 339.439 4.212 20 5 EIBDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000161413105 1041207972 /nfs/dbraw/zinc/20/79/72/1041207972.db2.gz CKJLYQVNAJYTFB-CYBMUJFWSA-N 1 0 345.468 4.068 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCc1cccs1)C1CC1 ZINC000540165759 1041228962 /nfs/dbraw/zinc/22/89/62/1041228962.db2.gz WYEOAOZERVLGRC-KRWDZBQOSA-N 1 0 330.453 4.200 20 5 EIBDRO CO[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000538429651 1041335096 /nfs/dbraw/zinc/33/50/96/1041335096.db2.gz YLNQXQQXSOZRAM-SUZKBHRPSA-N 1 0 346.814 4.239 20 5 EIBDRO CC(C)[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(C)(C)O ZINC000480500253 1041350645 /nfs/dbraw/zinc/35/06/45/1041350645.db2.gz PVXDCKDIROBAJP-KRWDZBQOSA-N 1 0 348.468 4.208 20 5 EIBDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540324582 1041382292 /nfs/dbraw/zinc/38/22/92/1041382292.db2.gz BTELTJLNFBWJMB-SUMWQHHRSA-N 1 0 346.452 4.228 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000516089454 1041399885 /nfs/dbraw/zinc/39/98/85/1041399885.db2.gz XHVFHDRUABTSEJ-AUUYWEPGSA-N 1 0 348.406 4.119 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1(c2ccccc2F)CC1 ZINC000538552432 1041418032 /nfs/dbraw/zinc/41/80/32/1041418032.db2.gz PXOPWPURNMLXFK-CQSZACIVSA-N 1 0 328.387 4.334 20 5 EIBDRO C[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000480670202 1041463750 /nfs/dbraw/zinc/46/37/50/1041463750.db2.gz YVNASPXDEFRLOJ-BZPMIXESSA-N 1 0 330.350 4.094 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C[NH+](C)C)c1 ZINC000924798469 1041490034 /nfs/dbraw/zinc/49/00/34/1041490034.db2.gz OAFBBUAOVYQVGB-CABCVRRESA-N 1 0 327.428 4.068 20 5 EIBDRO CC(C)[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000538812951 1041549250 /nfs/dbraw/zinc/54/92/50/1041549250.db2.gz RCIGGWXHHZJUTO-CQSZACIVSA-N 1 0 331.441 4.196 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000540607871 1041561674 /nfs/dbraw/zinc/56/16/74/1041561674.db2.gz GCRYXZFSTSADSS-JCGVRSQUSA-N 1 0 332.375 4.161 20 5 EIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000505923569 1041593952 /nfs/dbraw/zinc/59/39/52/1041593952.db2.gz VWWHWRVJWROTPJ-HNNXBMFYSA-N 1 0 332.350 4.080 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000539021272 1041611355 /nfs/dbraw/zinc/61/13/55/1041611355.db2.gz YMFPQLHOFQPZGN-ZIAGYGMSSA-N 1 0 344.411 4.414 20 5 EIBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)c1cccc(OC)c1 ZINC000516616628 1041675045 /nfs/dbraw/zinc/67/50/45/1041675045.db2.gz VNOLRRKQKYJVAW-HNNXBMFYSA-N 1 0 328.412 4.495 20 5 EIBDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000463734832 1041726445 /nfs/dbraw/zinc/72/64/45/1041726445.db2.gz YHKXKUMAAQWVDI-JTQLQIEISA-N 1 0 328.290 4.285 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000460351306 1041818042 /nfs/dbraw/zinc/81/80/42/1041818042.db2.gz AHVJUVHTSUKDKZ-RTBURBONSA-N 1 0 328.387 4.202 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCOC3(CCCC3)C1)CCC2 ZINC000193028997 1041823200 /nfs/dbraw/zinc/82/32/00/1041823200.db2.gz FCDOQOAUJFVWJE-YJBOKZPZSA-N 1 0 330.428 4.054 20 5 EIBDRO CCc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516980109 1041829720 /nfs/dbraw/zinc/82/97/20/1041829720.db2.gz TVQSLMOIAXXTAU-ZWKOTPCHSA-N 1 0 338.407 4.258 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3CCCCS3)o2)c1 ZINC000541382161 1041919007 /nfs/dbraw/zinc/91/90/07/1041919007.db2.gz PQHUYKOIBDCHCH-INIZCTEOSA-N 1 0 332.425 4.230 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000122441943 1041955083 /nfs/dbraw/zinc/95/50/83/1041955083.db2.gz SZUBAMRYGVGUMU-INIZCTEOSA-N 1 0 332.787 4.034 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000122441696 1041956214 /nfs/dbraw/zinc/95/62/14/1041956214.db2.gz SZUBAMRYGVGUMU-MRXNPFEDSA-N 1 0 332.787 4.034 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CC2CC(F)(F)C2)c2ccccc2)c1 ZINC000425939283 1042011015 /nfs/dbraw/zinc/01/10/15/1042011015.db2.gz BYSLMPPGXKFPDN-QGZVFWFLSA-N 1 0 332.350 4.319 20 5 EIBDRO COc1cc(C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000464496345 1042048847 /nfs/dbraw/zinc/04/88/47/1042048847.db2.gz VLOKUGKAANVYGX-OLZOCXBDSA-N 1 0 332.375 4.024 20 5 EIBDRO CCC[N@H+](CCc1cccs1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000464598154 1042074409 /nfs/dbraw/zinc/07/44/09/1042074409.db2.gz ZYKWOIICKYDEMT-UHFFFAOYSA-N 1 0 334.441 4.120 20 5 EIBDRO CCC[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000541743557 1042092095 /nfs/dbraw/zinc/09/20/95/1042092095.db2.gz KXUKBOZCCVEGKR-IBGZPJMESA-N 1 0 327.428 4.444 20 5 EIBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000464731291 1042135572 /nfs/dbraw/zinc/13/55/72/1042135572.db2.gz GXRHDSPFUVMPHE-XJKSGUPXSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1cc(C)cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000464771945 1042150544 /nfs/dbraw/zinc/15/05/44/1042150544.db2.gz DHNUOLQRROYLOH-UHFFFAOYSA-N 1 0 340.423 4.255 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414929681 1042176593 /nfs/dbraw/zinc/17/65/93/1042176593.db2.gz OIESBBZFALPZTL-IFXJQAMLSA-N 1 0 339.439 4.165 20 5 EIBDRO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCC(C)(C)CC1 ZINC000438502370 1042213132 /nfs/dbraw/zinc/21/31/32/1042213132.db2.gz WFIHMSJFXXTFKH-UHFFFAOYSA-N 1 0 344.415 4.045 20 5 EIBDRO C[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C)C1 ZINC000443647012 1042214677 /nfs/dbraw/zinc/21/46/77/1042214677.db2.gz DCKFXUUDWJZZCP-GJZGRUSLSA-N 1 0 343.427 4.160 20 5 EIBDRO COc1cccc2c1CC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000426058135 1042233409 /nfs/dbraw/zinc/23/34/09/1042233409.db2.gz ABEQDYUAYPSIMZ-RHSMWYFYSA-N 1 0 340.423 4.120 20 5 EIBDRO COc1ccc([C@@H](C)[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000506325966 1042315432 /nfs/dbraw/zinc/31/54/32/1042315432.db2.gz OIYWPMHFIYRGIH-PMGBHYCQSA-N 1 0 326.396 4.310 20 5 EIBDRO Cn1cc(C[N@H+](C)CC2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506325588 1042316671 /nfs/dbraw/zinc/31/66/71/1042316671.db2.gz LPWFNANFMITNRB-UHFFFAOYSA-N 1 0 342.443 4.007 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271838533 1042434422 /nfs/dbraw/zinc/43/44/22/1042434422.db2.gz VPMXQSHEYCUFLV-QWHCGFSZSA-N 1 0 329.356 4.223 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(COc2ccccc2)CC1 ZINC000491501608 1042459321 /nfs/dbraw/zinc/45/93/21/1042459321.db2.gz YXYRFJYYRQWWJY-INIZCTEOSA-N 1 0 340.423 4.447 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](OC)c2ccccc2)cc1[N+](=O)[O-] ZINC000153120226 1042493299 /nfs/dbraw/zinc/49/32/99/1042493299.db2.gz BBTGNSQHGVZYQH-AUUYWEPGSA-N 1 0 344.411 4.032 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)[C@H]1OCCc2sccc21)c1cccc([N+](=O)[O-])c1 ZINC000426310863 1042545569 /nfs/dbraw/zinc/54/55/69/1042545569.db2.gz OTCIELBVJQNASQ-ULFGMLNVSA-N 1 0 346.452 4.400 20 5 EIBDRO CCOc1cc(C[N@H+](CC)Cc2ccc(OC)cc2)ccc1[N+](=O)[O-] ZINC000492352412 1042615833 /nfs/dbraw/zinc/61/58/33/1042615833.db2.gz AMZXIBWORVNGLF-UHFFFAOYSA-N 1 0 344.411 4.024 20 5 EIBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000492379212 1042628269 /nfs/dbraw/zinc/62/82/69/1042628269.db2.gz WAQMQKFSKPYSHZ-HNNXBMFYSA-N 1 0 332.425 4.392 20 5 EIBDRO CC[C@@H](NCc1cnc(C(F)(F)F)s1)c1cccc([N+](=O)[O-])c1 ZINC000443993633 1042733598 /nfs/dbraw/zinc/73/35/98/1042733598.db2.gz MOETYSQREIUDHV-GFCCVEGCSA-N 1 0 345.346 4.311 20 5 EIBDRO CCOc1cc(C[N@H+](C)[C@@H]2CC[C@@H](SCC)C2)ccc1[N+](=O)[O-] ZINC000492776075 1042746584 /nfs/dbraw/zinc/74/65/84/1042746584.db2.gz TZRWPXUVUQTXML-HUUCEWRRSA-N 1 0 338.473 4.100 20 5 EIBDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000506690633 1042779623 /nfs/dbraw/zinc/77/96/23/1042779623.db2.gz QZCBPTLJNJJBBM-GOSISDBHSA-N 1 0 326.396 4.249 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000441491059 1042841059 /nfs/dbraw/zinc/84/10/59/1042841059.db2.gz MRZCYMVVHIRTCB-QZTJIDSGSA-N 1 0 345.487 4.244 20 5 EIBDRO COc1ccc(OCC[N@H+](CC2CC2)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000441497541 1042852827 /nfs/dbraw/zinc/85/28/27/1042852827.db2.gz CAZAOTCSQBKAQD-UHFFFAOYSA-N 1 0 348.443 4.027 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000761524216 1042874413 /nfs/dbraw/zinc/87/44/13/1042874413.db2.gz YVBRZRKUGVBNFE-GFCCVEGCSA-N 1 0 334.803 4.498 20 5 EIBDRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000237182406 1042874486 /nfs/dbraw/zinc/87/44/86/1042874486.db2.gz QFBGVAKAWSNOKW-CQSZACIVSA-N 1 0 346.452 4.121 20 5 EIBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)COCc1ccccc1 ZINC000761520697 1042875370 /nfs/dbraw/zinc/87/53/70/1042875370.db2.gz DRHSUZQWTOFOMB-AWEZNQCLSA-N 1 0 348.830 4.191 20 5 EIBDRO Cc1cccnc1[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000520609557 1042931310 /nfs/dbraw/zinc/93/13/10/1042931310.db2.gz JKIBMHBDDAUBAQ-AEFFLSMTSA-N 1 0 325.412 4.272 20 5 EIBDRO CC[C@H]([NH2+]CCc1nsc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001168741960 1043046864 /nfs/dbraw/zinc/04/68/64/1043046864.db2.gz WIKDFWBCDNOXKG-INIZCTEOSA-N 1 0 341.436 4.488 20 5 EIBDRO CC[C@](C)([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000254998908 1043213934 /nfs/dbraw/zinc/21/39/34/1043213934.db2.gz TTXKTZRSCIWALO-KMDWOBIYSA-N 1 0 331.441 4.288 20 5 EIBDRO CCC1(CC)CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000556883800 1043233929 /nfs/dbraw/zinc/23/39/29/1043233929.db2.gz ZTMRUODWYHMIJP-UHFFFAOYSA-N 1 0 342.443 4.007 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3cccs3)cs2)c1 ZINC000113313622 1043262366 /nfs/dbraw/zinc/26/23/66/1043262366.db2.gz KBYMQDBEGGTSNF-UHFFFAOYSA-N 1 0 345.449 4.112 20 5 EIBDRO Cc1c([C@H](C)[NH2+]C[C@@H](c2cccnc2)C(C)C)cccc1[N+](=O)[O-] ZINC000164159395 1043304673 /nfs/dbraw/zinc/30/46/73/1043304673.db2.gz TUPGLWJCNPWAFN-MAUKXSAKSA-N 1 0 327.428 4.389 20 5 EIBDRO Cc1c([C@H](C)[NH2+]C[C@H](c2cccnc2)C(C)C)cccc1[N+](=O)[O-] ZINC000164159631 1043304685 /nfs/dbraw/zinc/30/46/85/1043304685.db2.gz TUPGLWJCNPWAFN-YJBOKZPZSA-N 1 0 327.428 4.389 20 5 EIBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cccc(OC)c1 ZINC000520843832 1043401161 /nfs/dbraw/zinc/40/11/61/1043401161.db2.gz MDULDALQHCNWEX-HNNXBMFYSA-N 1 0 344.411 4.065 20 5 EIBDRO CC1CC[NH+](CCCCNc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000731206270 1043718569 /nfs/dbraw/zinc/71/85/69/1043718569.db2.gz DHIURCXWLFBEMI-UHFFFAOYSA-N 1 0 348.472 4.129 20 5 EIBDRO C[C@H](CCC(C)(C)C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766076858 1043883311 /nfs/dbraw/zinc/88/33/11/1043883311.db2.gz RWNMKDBOYBSGTD-OAHLLOKOSA-N 1 0 333.476 4.368 20 5 EIBDRO C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245471920 1043927335 /nfs/dbraw/zinc/92/73/35/1043927335.db2.gz YIIZEUYZBVQOPO-QSFXBCCZSA-N 1 0 340.423 4.413 20 5 EIBDRO O=C(C1CC1)N1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC000732576857 1043966871 /nfs/dbraw/zinc/96/68/71/1043966871.db2.gz UFDIBGCVOLMNCC-UHFFFAOYSA-N 1 0 344.458 4.047 20 5 EIBDRO C[C@H]([NH2+]Cc1ccccc1OCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000173435094 1043969102 /nfs/dbraw/zinc/96/91/02/1043969102.db2.gz LMKITOGEIPJIDE-AWEZNQCLSA-N 1 0 326.396 4.234 20 5 EIBDRO CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@H](C)C1 ZINC000443065990 1043986197 /nfs/dbraw/zinc/98/61/97/1043986197.db2.gz BRIURUOONOGOSR-ZIAGYGMSSA-N 1 0 346.452 4.323 20 5 EIBDRO Cc1ccc(C(=O)CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000429248193 1044224585 /nfs/dbraw/zinc/22/45/85/1044224585.db2.gz YLENFOMQPAQBGZ-UHFFFAOYSA-N 1 0 326.396 4.001 20 5 EIBDRO Cc1ccc([C@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cc1 ZINC000543245636 1044231091 /nfs/dbraw/zinc/23/10/91/1044231091.db2.gz DSSUDNYHYIVURM-HNNXBMFYSA-N 1 0 337.379 4.034 20 5 EIBDRO CC[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000766127159 1044288501 /nfs/dbraw/zinc/28/85/01/1044288501.db2.gz ALUZQLGENFCALY-RDJZCZTQSA-N 1 0 331.460 4.122 20 5 EIBDRO CC[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000766127158 1044289035 /nfs/dbraw/zinc/28/90/35/1044289035.db2.gz ALUZQLGENFCALY-NVXWUHKLSA-N 1 0 331.460 4.122 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000246436717 1044311003 /nfs/dbraw/zinc/31/10/03/1044311003.db2.gz OGFMDQILCKPSLN-JJRVBVJISA-N 1 0 326.396 4.119 20 5 EIBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CS1 ZINC000754141655 1044330207 /nfs/dbraw/zinc/33/02/07/1044330207.db2.gz FMTZYENRRDEGIR-FZMZJTMJSA-N 1 0 328.865 4.258 20 5 EIBDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC001168766954 1044397234 /nfs/dbraw/zinc/39/72/34/1044397234.db2.gz WWVRCSPJYYMXOJ-KRWDZBQOSA-N 1 0 334.366 4.230 20 5 EIBDRO C[NH+](C)Cc1cc(NCc2ccc([N+](=O)[O-])cc2F)ccc1Cl ZINC000466418762 1044438168 /nfs/dbraw/zinc/43/81/68/1044438168.db2.gz BFVOVBSQCLPUSY-UHFFFAOYSA-N 1 0 337.782 4.061 20 5 EIBDRO Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000151634919 1044471747 /nfs/dbraw/zinc/47/17/47/1044471747.db2.gz KTSDWVADNBUECF-GFCCVEGCSA-N 1 0 336.338 4.355 20 5 EIBDRO CCCC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCC1 ZINC000542522303 1044487066 /nfs/dbraw/zinc/48/70/66/1044487066.db2.gz TVYQOUFSAYTTOY-RHSMWYFYSA-N 1 0 347.459 4.179 20 5 EIBDRO C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000543419361 1044560214 /nfs/dbraw/zinc/56/02/14/1044560214.db2.gz UQUSOGCQUHWHRQ-MTNOOBJLSA-N 1 0 346.471 4.101 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000543427065 1044585074 /nfs/dbraw/zinc/58/50/74/1044585074.db2.gz RGWPHZJEFSAWND-ZDUSSCGKSA-N 1 0 332.375 4.210 20 5 EIBDRO C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000154037589 1044720380 /nfs/dbraw/zinc/72/03/80/1044720380.db2.gz YIWHPRVPRJDNMM-YJBOKZPZSA-N 1 0 343.427 4.066 20 5 EIBDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000154461604 1044798345 /nfs/dbraw/zinc/79/83/45/1044798345.db2.gz SDZPJFYPURHESN-YVEFUNNKSA-N 1 0 334.441 4.135 20 5 EIBDRO C[C@@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000922537467 1044805611 /nfs/dbraw/zinc/80/56/11/1044805611.db2.gz GQNJSJSKLJCODT-SNVBAGLBSA-N 1 0 340.301 4.170 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]C2CCN(c3cccs3)CC2)cc1[N+](=O)[O-] ZINC000168426837 1044844846 /nfs/dbraw/zinc/84/48/46/1044844846.db2.gz ICVONUGDVINDLB-AWEZNQCLSA-N 1 0 345.468 4.284 20 5 EIBDRO C[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)COCc1ccccc1 ZINC000389953061 1044846659 /nfs/dbraw/zinc/84/66/59/1044846659.db2.gz XZUVHUCCSMHLAQ-HZPDHXFCSA-N 1 0 328.412 4.098 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1ccc(COC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000124423142 1044858797 /nfs/dbraw/zinc/85/87/97/1044858797.db2.gz VHOOMILUGMJPSU-LJQANCHMSA-N 1 0 328.412 4.372 20 5 EIBDRO CC(C)([NH2+]CCCCOc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429260900 1044862314 /nfs/dbraw/zinc/86/23/14/1044862314.db2.gz DJPGRNMKCJXGAD-UHFFFAOYSA-N 1 0 328.412 4.279 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000248572781 1044865741 /nfs/dbraw/zinc/86/57/41/1044865741.db2.gz RQUAQXZDAPTBQN-JXFSHQFZSA-N 1 0 344.415 4.120 20 5 EIBDRO CCC(CC)(CNc1ccc([N+](=O)[O-])cn1)[NH2+][C@@H](C)c1ccccc1 ZINC000495318522 1044877558 /nfs/dbraw/zinc/87/75/58/1044877558.db2.gz BBCJIICHYBIOEA-HNNXBMFYSA-N 1 0 342.443 4.311 20 5 EIBDRO CCSc1cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)ccn1 ZINC000193316180 1044893776 /nfs/dbraw/zinc/89/37/76/1044893776.db2.gz GFYICJZWJXWRMI-QGZVFWFLSA-N 1 0 343.452 4.269 20 5 EIBDRO CC(C)C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000466674709 1044967416 /nfs/dbraw/zinc/96/74/16/1044967416.db2.gz ZXFBOLLNEFAECW-MRXNPFEDSA-N 1 0 344.415 4.045 20 5 EIBDRO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000156003058 1044990650 /nfs/dbraw/zinc/99/06/50/1044990650.db2.gz YNOUAYRFFWZBIO-BZSNNMDCSA-N 1 0 328.416 4.016 20 5 EIBDRO CC(C)[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000495435289 1045095187 /nfs/dbraw/zinc/09/51/87/1045095187.db2.gz VPWCBPMSCKZMOU-QGZVFWFLSA-N 1 0 333.819 4.173 20 5 EIBDRO C[NH+](C)[C@H](CNc1sccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000302022481 1045156171 /nfs/dbraw/zinc/15/61/71/1045156171.db2.gz OMGZLARKZKUHDS-CYBMUJFWSA-N 1 0 325.821 4.025 20 5 EIBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302050102 1045156754 /nfs/dbraw/zinc/15/67/54/1045156754.db2.gz NKPAGNJGCMKITL-QWHCGFSZSA-N 1 0 337.851 4.313 20 5 EIBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302050101 1045157187 /nfs/dbraw/zinc/15/71/87/1045157187.db2.gz NKPAGNJGCMKITL-OLZOCXBDSA-N 1 0 337.851 4.313 20 5 EIBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302050103 1045157758 /nfs/dbraw/zinc/15/77/58/1045157758.db2.gz NKPAGNJGCMKITL-STQMWFEESA-N 1 0 337.851 4.313 20 5 EIBDRO CCOc1cc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000302067150 1045158286 /nfs/dbraw/zinc/15/82/86/1045158286.db2.gz WODZTVBPCLTOBV-HUUCEWRRSA-N 1 0 347.459 4.058 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+](C3CC3)C3CCCC3)c2c1 ZINC000915209035 1045186662 /nfs/dbraw/zinc/18/66/62/1045186662.db2.gz WRQLSRPCGSYFQI-UHFFFAOYSA-N 1 0 333.413 4.236 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1c(C)noc1C ZINC000611248494 1045267064 /nfs/dbraw/zinc/26/70/64/1045267064.db2.gz OBONVKNWLLGKRE-SMDDNHRTSA-N 1 0 349.456 4.421 20 5 EIBDRO C[N@H+](CCOC(C)(C)C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000611274739 1045270674 /nfs/dbraw/zinc/27/06/74/1045270674.db2.gz RLRNNXXTQWFHEZ-UHFFFAOYSA-N 1 0 332.400 4.102 20 5 EIBDRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000611299876 1045277743 /nfs/dbraw/zinc/27/77/43/1045277743.db2.gz MSRZJMWUUZABDD-BXWFABGCSA-N 1 0 339.439 4.360 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@H]1OCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000611335782 1045281254 /nfs/dbraw/zinc/28/12/54/1045281254.db2.gz JCHOKJFTKHBXMI-WOJBJXKFSA-N 1 0 340.423 4.340 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000611477457 1045315477 /nfs/dbraw/zinc/31/54/77/1045315477.db2.gz NQAFIAGVGMJXCJ-FMKPAKJESA-N 1 0 338.473 4.013 20 5 EIBDRO CCOC(=O)CCC1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000611516716 1045320436 /nfs/dbraw/zinc/32/04/36/1045320436.db2.gz FIVBNPAUXSANDD-OAHLLOKOSA-N 1 0 348.443 4.020 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(c2ccccn2)CC1 ZINC000611516760 1045320873 /nfs/dbraw/zinc/32/08/73/1045320873.db2.gz SIWZCCADJVGTEJ-OAHLLOKOSA-N 1 0 325.412 4.239 20 5 EIBDRO CCOC(=O)CC[C@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000611516770 1045321326 /nfs/dbraw/zinc/32/13/26/1045321326.db2.gz WDUSORJMHCZAKJ-JKSUJKDBSA-N 1 0 348.443 4.020 20 5 EIBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc2c(c1)CCCO2 ZINC000790695130 1045560514 /nfs/dbraw/zinc/56/05/14/1045560514.db2.gz KILUULQSISWJDG-SFHVURJKSA-N 1 0 340.423 4.469 20 5 EIBDRO COc1cccc2cc([C@@H](C)[NH2+]CCc3ccc([N+](=O)[O-])cc3)oc21 ZINC000326448923 1045701158 /nfs/dbraw/zinc/70/11/58/1045701158.db2.gz CQZOWXWFSCCWCB-CYBMUJFWSA-N 1 0 340.379 4.243 20 5 EIBDRO COCC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000272637857 1045706712 /nfs/dbraw/zinc/70/67/12/1045706712.db2.gz NZMIQYYVSIZGJU-GOEBONIOSA-N 1 0 332.400 4.233 20 5 EIBDRO COCC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccc(C)o1 ZINC000272648003 1045733170 /nfs/dbraw/zinc/73/31/70/1045733170.db2.gz PKDYNSKYKLWIBG-PBHICJAKSA-N 1 0 332.400 4.233 20 5 EIBDRO C[C@@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)C[C@H](C)[S@@]1=O ZINC000792191920 1045876874 /nfs/dbraw/zinc/87/68/74/1045876874.db2.gz FGZOFXSEQCUGDB-VJZPNJBGSA-N 1 0 337.488 4.334 20 5 EIBDRO OC[C@@H]1CC[N@H+](Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC000769238572 1045898663 /nfs/dbraw/zinc/89/86/63/1045898663.db2.gz DIQUMRQDQBNXKE-CQSZACIVSA-N 1 0 325.839 4.461 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170294505 1045979454 /nfs/dbraw/zinc/97/94/54/1045979454.db2.gz AIFPAOCRLUILOG-OLZOCXBDSA-N 1 0 332.375 4.024 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccccc2C)c([N+](=O)[O-])c1 ZINC001170306247 1045980228 /nfs/dbraw/zinc/98/02/28/1045980228.db2.gz TWYUUBSRQGSRIQ-CABCVRRESA-N 1 0 328.412 4.194 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001170296972 1045982062 /nfs/dbraw/zinc/98/20/62/1045982062.db2.gz IXBMCZJWNXXUSR-HUUCEWRRSA-N 1 0 328.412 4.194 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(F)c(C)c2)c([N+](=O)[O-])c1 ZINC001170314363 1045996695 /nfs/dbraw/zinc/99/66/95/1045996695.db2.gz UYOBIRMPLIPEPW-ZIAGYGMSSA-N 1 0 346.402 4.333 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]C(C)(C)c2ccccc2C)c([N+](=O)[O-])c1 ZINC001170325268 1046000422 /nfs/dbraw/zinc/00/04/22/1046000422.db2.gz SYIWRLDOUSXANG-HNNXBMFYSA-N 1 0 342.439 4.368 20 5 EIBDRO COc1ccc(C[C@@H](C)[N@H+](C)CCCc2ccccc2)c([N+](=O)[O-])c1 ZINC001170346544 1046019600 /nfs/dbraw/zinc/01/96/00/1046019600.db2.gz OBOZIJUZLJTNKF-MRXNPFEDSA-N 1 0 342.439 4.099 20 5 EIBDRO CC[N+](C)(C)Cc1ccccc1N[C@H]1CCc2ccc(OC)cc2C1 ZINC001170415384 1046044253 /nfs/dbraw/zinc/04/42/53/1046044253.db2.gz YPTDKUKFYRGYNR-FQEVSTJZSA-N 1 0 339.503 4.261 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C[C@@H](O)c1ccccc1 ZINC000763397024 1046127963 /nfs/dbraw/zinc/12/79/63/1046127963.db2.gz HEKOEWKDBCGSCG-ZRGWGRIASA-N 1 0 328.412 4.066 20 5 EIBDRO CCC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000793243562 1046189895 /nfs/dbraw/zinc/18/98/95/1046189895.db2.gz SNSOPQUHZSIUPV-RNGOSCCFSA-N 1 0 340.423 4.100 20 5 EIBDRO O=[N+]([O-])c1cc(C[N@H+](CC2CC2)C2CCC2)ccc1Br ZINC000793396564 1046236109 /nfs/dbraw/zinc/23/61/09/1046236109.db2.gz RVJASKGLPUNLDV-UHFFFAOYSA-N 1 0 339.233 4.122 20 5 EIBDRO COc1ccc(C[NH2+][C@H](c2ccccc2C)C2CC2)cc1[N+](=O)[O-] ZINC001168518635 1046311160 /nfs/dbraw/zinc/31/11/60/1046311160.db2.gz FMHQXOMRTOHOKK-IBGZPJMESA-N 1 0 326.396 4.153 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc3ncccc3c2)C2CC2)cc1 ZINC000154259588 1046613150 /nfs/dbraw/zinc/61/31/50/1046613150.db2.gz ZDYKPACXMFXFLF-UHFFFAOYSA-N 1 0 333.391 4.308 20 5 EIBDRO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000536683522 1046684958 /nfs/dbraw/zinc/68/49/58/1046684958.db2.gz YFFFYFWXZUYPQQ-KRWDZBQOSA-N 1 0 326.396 4.249 20 5 EIBDRO CCN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000917106165 1046719676 /nfs/dbraw/zinc/71/96/76/1046719676.db2.gz SBQJICYHBRSPTN-ZDUSSCGKSA-N 1 0 332.375 4.326 20 5 EIBDRO Cc1c(C[NH2+]CCCO[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000917134489 1046763209 /nfs/dbraw/zinc/76/32/09/1046763209.db2.gz WPTIEDMQTTUGLC-MRXNPFEDSA-N 1 0 328.412 4.161 20 5 EIBDRO CCOc1ccccc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000536865603 1046830995 /nfs/dbraw/zinc/83/09/95/1046830995.db2.gz VHEZCDBBORBCTD-HNNXBMFYSA-N 1 0 328.412 4.195 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000536879848 1046843299 /nfs/dbraw/zinc/84/32/99/1046843299.db2.gz UOJCDFKHBVELFA-QWHCGFSZSA-N 1 0 334.803 4.366 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C[C@H](O)c1ccccc1 ZINC000786820893 1046876094 /nfs/dbraw/zinc/87/60/94/1046876094.db2.gz MHKASDINDPWCOJ-HWIYTKFHSA-N 1 0 340.423 4.100 20 5 EIBDRO C[N@@H+](Cc1cccc2ccccc21)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000917470519 1046909219 /nfs/dbraw/zinc/90/92/19/1046909219.db2.gz YMQDGMHCHPQYGN-UHFFFAOYSA-N 1 0 346.390 4.187 20 5 EIBDRO CC(C)[C@H](Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)c1ccc(F)cc1 ZINC001170068689 1046917602 /nfs/dbraw/zinc/91/76/02/1046917602.db2.gz WZJHRODRNLOZNF-SFHVURJKSA-N 1 0 329.375 4.146 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000537087664 1046936597 /nfs/dbraw/zinc/93/65/97/1046936597.db2.gz BVGWCLSXRRDPMP-HUUCEWRRSA-N 1 0 336.395 4.192 20 5 EIBDRO CCc1ccc(C(C)(C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000537155578 1046991419 /nfs/dbraw/zinc/99/14/19/1046991419.db2.gz SYGVVRXEAVKIDR-UHFFFAOYSA-N 1 0 328.412 4.191 20 5 EIBDRO CCOc1ccccc1OCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537179375 1047008627 /nfs/dbraw/zinc/00/86/27/1047008627.db2.gz HGAUSXSRIKJKOG-OAHLLOKOSA-N 1 0 344.411 4.032 20 5 EIBDRO Cc1cc(N[C@H]2C[N@@H+](C)Cc3ccccc32)c2cccc([N+](=O)[O-])c2n1 ZINC000537346803 1047136990 /nfs/dbraw/zinc/13/69/90/1047136990.db2.gz DDUJFDSOTBKONN-SFHVURJKSA-N 1 0 348.406 4.050 20 5 EIBDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001170086827 1047244236 /nfs/dbraw/zinc/24/42/36/1047244236.db2.gz YGVYBKCNKCESCQ-CRAIPNDOSA-N 1 0 326.396 4.057 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788602804 1047244390 /nfs/dbraw/zinc/24/43/90/1047244390.db2.gz OHQBPJHWLDXGSS-UWVGGRQHSA-N 1 0 337.782 4.381 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3ccc(Cl)nc32)cc1[N+](=O)[O-] ZINC000788666728 1047268738 /nfs/dbraw/zinc/26/87/38/1047268738.db2.gz SGHAJVBARPGHQV-FZMZJTMJSA-N 1 0 331.803 4.290 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000788667898 1047269061 /nfs/dbraw/zinc/26/90/61/1047269061.db2.gz VREDJYDHLPWKFC-QLJPJBMISA-N 1 0 335.354 4.257 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000556057309 1047420392 /nfs/dbraw/zinc/42/03/92/1047420392.db2.gz BDCLPSJVDWJVSO-QKYXUNIQSA-N 1 0 339.439 4.081 20 5 EIBDRO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000609281041 1047476559 /nfs/dbraw/zinc/47/65/59/1047476559.db2.gz ZIJXZCGZIZJAQO-SFHVURJKSA-N 1 0 326.396 4.331 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c(Cl)c1 ZINC001170536057 1047517365 /nfs/dbraw/zinc/51/73/65/1047517365.db2.gz KFKKZPHJEKGLRN-GFCCVEGCSA-N 1 0 334.778 4.377 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1OCC ZINC000194721408 1047605675 /nfs/dbraw/zinc/60/56/75/1047605675.db2.gz MZMNRYLKRBIQLU-AWEZNQCLSA-N 1 0 344.411 4.243 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1ccc(-n2ccnc2)c(F)c1 ZINC000537533672 1047675226 /nfs/dbraw/zinc/67/52/26/1047675226.db2.gz MRHWKJPBOHAHSC-ZDUSSCGKSA-N 1 0 340.358 4.401 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000609287794 1047689622 /nfs/dbraw/zinc/68/96/22/1047689622.db2.gz TZORYKWSTOCCGY-LBPRGKRZSA-N 1 0 343.349 4.042 20 5 EIBDRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089512109 1047786750 /nfs/dbraw/zinc/78/67/50/1047786750.db2.gz XIWGKOVVINFFRS-OLZOCXBDSA-N 1 0 341.436 4.486 20 5 EIBDRO CCC(CC)(C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])OC ZINC000814178039 1047866584 /nfs/dbraw/zinc/86/65/84/1047866584.db2.gz ZPYRBXPTTNSZGP-UHFFFAOYSA-N 1 0 335.231 4.196 20 5 EIBDRO CSCC1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000824651074 1047894519 /nfs/dbraw/zinc/89/45/19/1047894519.db2.gz UXLKYYDIXPOIIP-UHFFFAOYSA-N 1 0 328.865 4.260 20 5 EIBDRO C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000556883546 1048096173 /nfs/dbraw/zinc/09/61/73/1048096173.db2.gz CRQGGPZQFXCHCQ-ZDUSSCGKSA-N 1 0 334.366 4.026 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cc1F ZINC000814667514 1048121797 /nfs/dbraw/zinc/12/17/97/1048121797.db2.gz RYMVBBCXXPDTJM-CQSZACIVSA-N 1 0 334.778 4.377 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(Cc3cc(F)ccc3F)CC2)c1 ZINC001171098181 1048169459 /nfs/dbraw/zinc/16/94/59/1048169459.db2.gz IQJCFAMVTIQCFV-UHFFFAOYSA-N 1 0 346.377 4.328 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000815085467 1048325816 /nfs/dbraw/zinc/32/58/16/1048325816.db2.gz XNKKVUDSVLKWQM-CXAGYDPISA-N 1 0 340.379 4.034 20 5 EIBDRO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815561444 1048509610 /nfs/dbraw/zinc/50/96/10/1048509610.db2.gz HOANAUDXXDSEDY-MLGOLLRUSA-N 1 0 343.427 4.443 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)o1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815561815 1048510171 /nfs/dbraw/zinc/51/01/71/1048510171.db2.gz QNRBDOLALOVZKU-CYBMUJFWSA-N 1 0 337.379 4.288 20 5 EIBDRO C[C@H](N[C@@H](c1ccccc1)c1ccncc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815565823 1048512185 /nfs/dbraw/zinc/51/21/85/1048512185.db2.gz BEQRFFGYPOEBML-XOBRGWDASA-N 1 0 348.406 4.012 20 5 EIBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)Sc1ccccc1 ZINC000815585118 1048523376 /nfs/dbraw/zinc/52/33/76/1048523376.db2.gz YSVHFNNSLKCPEG-OLZOCXBDSA-N 1 0 331.441 4.008 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001170594246 1048584311 /nfs/dbraw/zinc/58/43/11/1048584311.db2.gz RZVSYCIPXREJKA-CJNGLKHVSA-N 1 0 346.814 4.463 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@]4(CC4(F)F)C3)o2)c1 ZINC000846106405 1048823271 /nfs/dbraw/zinc/82/32/71/1048823271.db2.gz AZJRBIVDCZBXDX-KRWDZBQOSA-N 1 0 348.349 4.476 20 5 EIBDRO CC(C)[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccsc1 ZINC000817287202 1048925724 /nfs/dbraw/zinc/92/57/24/1048925724.db2.gz LFQJWKXIADKCJD-CXAGYDPISA-N 1 0 334.441 4.161 20 5 EIBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)Cc1ccc(OC)cc1 ZINC000609432105 1049061572 /nfs/dbraw/zinc/06/15/72/1049061572.db2.gz CJUHQCUFDFGFLF-OAHLLOKOSA-N 1 0 328.412 4.057 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCCOC1CCCC1 ZINC000811475852 1049096367 /nfs/dbraw/zinc/09/63/67/1049096367.db2.gz BMWJAZKFERMWPE-UHFFFAOYSA-N 1 0 347.242 4.341 20 5 EIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)F)cc1 ZINC000195582093 1049150479 /nfs/dbraw/zinc/15/04/79/1049150479.db2.gz NBQBHQWDAYNURE-GFCCVEGCSA-N 1 0 336.338 4.090 20 5 EIBDRO COc1ccc([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)cc1 ZINC000609705149 1049279605 /nfs/dbraw/zinc/27/96/05/1049279605.db2.gz VLDGZCZYSXEPKA-CQSZACIVSA-N 1 0 346.814 4.246 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000609800731 1049327990 /nfs/dbraw/zinc/32/79/90/1049327990.db2.gz RFBZKFAYRVANDB-KBXCAEBGSA-N 1 0 328.437 4.446 20 5 EIBDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000609902143 1049390629 /nfs/dbraw/zinc/39/06/29/1049390629.db2.gz KUZZEDPUCWOPJY-FZKQIMNGSA-N 1 0 348.830 4.422 20 5 EIBDRO CSC[C@@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000609902149 1049390644 /nfs/dbraw/zinc/39/06/44/1049390644.db2.gz NZZCFLFSFSSHRA-CQSZACIVSA-N 1 0 345.468 4.204 20 5 EIBDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000609916159 1049397431 /nfs/dbraw/zinc/39/74/31/1049397431.db2.gz BMQUZKWSBIGQRI-TZMCWYRMSA-N 1 0 332.350 4.251 20 5 EIBDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000610001876 1049467722 /nfs/dbraw/zinc/46/77/22/1049467722.db2.gz JKFCKLTXDCFMEE-CABCVRRESA-N 1 0 328.387 4.420 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000610009934 1049480929 /nfs/dbraw/zinc/48/09/29/1049480929.db2.gz GCEGEXBHPDIHPQ-QZTJIDSGSA-N 1 0 340.423 4.104 20 5 EIBDRO CC[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000348216545 1049483813 /nfs/dbraw/zinc/48/38/13/1049483813.db2.gz OPSVKQCXJJWAHF-QZTJIDSGSA-N 1 0 348.830 4.413 20 5 EIBDRO CC[C@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000348216547 1049487867 /nfs/dbraw/zinc/48/78/67/1049487867.db2.gz OPSVKQCXJJWAHF-ZWKOTPCHSA-N 1 0 348.830 4.413 20 5 EIBDRO CCC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000773117403 1049589182 /nfs/dbraw/zinc/58/91/82/1049589182.db2.gz IDGKEOJMWLJFKW-SFHVURJKSA-N 1 0 343.383 4.177 20 5 EIBDRO CCOC(=O)C[C@H]1CC[C@H](Nc2ccccc2C[N+](C)(C)CC)CC1 ZINC001170697963 1049693652 /nfs/dbraw/zinc/69/36/52/1049693652.db2.gz NLHCEWJIPCBLMM-UAPYVXQJSA-N 1 0 347.523 4.207 20 5 EIBDRO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001171457720 1049710992 /nfs/dbraw/zinc/71/09/92/1049710992.db2.gz LNWRKSWCRIJRMM-CZUORRHYSA-N 1 0 347.415 4.151 20 5 EIBDRO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001171457719 1049712333 /nfs/dbraw/zinc/71/23/33/1049712333.db2.gz LNWRKSWCRIJRMM-CJNGLKHVSA-N 1 0 347.415 4.151 20 5 EIBDRO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001171457722 1049713040 /nfs/dbraw/zinc/71/30/40/1049713040.db2.gz LNWRKSWCRIJRMM-XJKSGUPXSA-N 1 0 347.415 4.151 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2nc(C3CCCCC3)cs2)c1 ZINC000237991460 1049842290 /nfs/dbraw/zinc/84/22/90/1049842290.db2.gz CHUVYUDBDBVVJM-UHFFFAOYSA-N 1 0 345.468 4.431 20 5 EIBDRO C[C@@H](OCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000216752640 1049863957 /nfs/dbraw/zinc/86/39/57/1049863957.db2.gz IAEQYTHVYJNMQG-JKSUJKDBSA-N 1 0 328.412 4.413 20 5 EIBDRO OCCCSCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000238181709 1049896561 /nfs/dbraw/zinc/89/65/61/1049896561.db2.gz DAMXTXNYSJPLBF-UHFFFAOYSA-N 1 0 325.477 4.198 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccc(F)cc1 ZINC001172896975 1050201662 /nfs/dbraw/zinc/20/16/62/1050201662.db2.gz VIYUBIUKIBSYOV-SCLBCKFNSA-N 1 0 328.387 4.332 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cnc3ccccc3c1)CC2 ZINC001172899662 1050204007 /nfs/dbraw/zinc/20/40/07/1050204007.db2.gz ORJOLKYUEQNUNW-IBGZPJMESA-N 1 0 347.418 4.180 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1(c3ccccc3)CC1)CC2 ZINC001172901506 1050205075 /nfs/dbraw/zinc/20/50/75/1050205075.db2.gz IWRSBGWTXBVEID-IBGZPJMESA-N 1 0 336.435 4.164 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccc(F)c1 ZINC001172902143 1050205475 /nfs/dbraw/zinc/20/54/75/1050205475.db2.gz VXJQZMMPTYMNMW-FZKQIMNGSA-N 1 0 328.387 4.332 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1(c3ccccc3)CC1)CC2 ZINC001172901507 1050205568 /nfs/dbraw/zinc/20/55/68/1050205568.db2.gz IWRSBGWTXBVEID-LJQANCHMSA-N 1 0 336.435 4.164 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1c(F)cccc1F ZINC001172904291 1050205724 /nfs/dbraw/zinc/20/57/24/1050205724.db2.gz WOXDZSVEBKVHEZ-SWLSCSKDSA-N 1 0 346.377 4.471 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccc3cccnc31)CC2 ZINC001172904928 1050207028 /nfs/dbraw/zinc/20/70/28/1050207028.db2.gz GWOZBORZOBGPMS-IBGZPJMESA-N 1 0 347.418 4.180 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cccc3cnccc31)CC2 ZINC001172907015 1050207953 /nfs/dbraw/zinc/20/79/53/1050207953.db2.gz ZVVGUSLTUWULQP-LJQANCHMSA-N 1 0 347.418 4.180 20 5 EIBDRO C[C@H](CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC001186080147 1050227236 /nfs/dbraw/zinc/22/72/36/1050227236.db2.gz WMMPKJQOFKDYOR-GFCCVEGCSA-N 1 0 345.365 4.290 20 5 EIBDRO C[N@H+](Cc1ccc(F)cc1F)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172919613 1050233474 /nfs/dbraw/zinc/23/34/74/1050233474.db2.gz GUWRUNUGXQZYSE-QGZVFWFLSA-N 1 0 346.377 4.252 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@H](C(F)(F)F)C1)CC2 ZINC001172910877 1050244737 /nfs/dbraw/zinc/24/47/37/1050244737.db2.gz PRKKOEIEGDOPBD-LSDHHAIUSA-N 1 0 342.361 4.117 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CCCCCCC2)c1F ZINC001173181019 1050337230 /nfs/dbraw/zinc/33/72/30/1050337230.db2.gz AKPUBDZIJJBSNA-CYBMUJFWSA-N 1 0 338.423 4.376 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)Cc2ccc(C)cc2)c1F ZINC001173190493 1050338357 /nfs/dbraw/zinc/33/83/57/1050338357.db2.gz UADNMDGEZYODCB-CQSZACIVSA-N 1 0 346.402 4.114 20 5 EIBDRO Cc1c(C)n([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c2ccc(C[NH3+])cc12 ZINC001173215366 1050350104 /nfs/dbraw/zinc/35/01/04/1050350104.db2.gz VLWMXVDKATUWEY-ZDUSSCGKSA-N 1 0 337.423 4.429 20 5 EIBDRO COc1cc([C@H](C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)ccc1F ZINC001173220335 1050352666 /nfs/dbraw/zinc/35/26/66/1050352666.db2.gz YMMMGVTWXIPEKL-OLZOCXBDSA-N 1 0 332.375 4.024 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001173219674 1050353195 /nfs/dbraw/zinc/35/31/95/1050353195.db2.gz PFPUBOAFBJGYOF-FZKQIMNGSA-N 1 0 344.842 4.326 20 5 EIBDRO COc1c(F)cccc1[C@@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173223899 1050354647 /nfs/dbraw/zinc/35/46/47/1050354647.db2.gz BKAGKMCEODYSHC-CHWSQXEVSA-N 1 0 332.375 4.024 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC001173222635 1050355002 /nfs/dbraw/zinc/35/50/02/1050355002.db2.gz YHOLZMKOUMDJBV-OAHLLOKOSA-N 1 0 342.439 4.493 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccccc2F)CCC1 ZINC001173221105 1050355691 /nfs/dbraw/zinc/35/56/91/1050355691.db2.gz JBRZKIUQAYJTSD-AWEZNQCLSA-N 1 0 328.387 4.334 20 5 EIBDRO Cc1ccc2c(c1)c1c(n2[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC001173228583 1050356342 /nfs/dbraw/zinc/35/63/42/1050356342.db2.gz XWWGCGNEAKNQPD-HNNXBMFYSA-N 1 0 349.434 4.307 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC001173230022 1050357140 /nfs/dbraw/zinc/35/71/40/1050357140.db2.gz PWXGLSALPUMQBH-CWTRNNRKSA-N 1 0 346.377 4.471 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC001173227234 1050357815 /nfs/dbraw/zinc/35/78/15/1050357815.db2.gz OTLVNJPEHGXREI-KXBFYZLASA-N 1 0 325.412 4.148 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1cccc(Cl)c1 ZINC001173233278 1050358753 /nfs/dbraw/zinc/35/87/53/1050358753.db2.gz KFRLZXKSWGXOQU-AWEZNQCLSA-N 1 0 332.831 4.354 20 5 EIBDRO CC(C)[N@H+](CC(=O)c1ccccc1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173232827 1050359219 /nfs/dbraw/zinc/35/92/19/1050359219.db2.gz IENKMQVMYLLJNY-INIZCTEOSA-N 1 0 340.423 4.119 20 5 EIBDRO COc1ccc([C@H]2CC[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001173230757 1050359989 /nfs/dbraw/zinc/35/99/89/1050359989.db2.gz FLLMWHYCTNXUBO-YJBOKZPZSA-N 1 0 340.423 4.024 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1ccc(Cl)cc1 ZINC001173235713 1050362450 /nfs/dbraw/zinc/36/24/50/1050362450.db2.gz YTVWIIRGFACHKY-AWEZNQCLSA-N 1 0 332.831 4.354 20 5 EIBDRO Cc1ccc([C@@H]2CCC[N@H+]2[C@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173233701 1050362792 /nfs/dbraw/zinc/36/27/92/1050362792.db2.gz MFDZYYDBVZFRPO-BEFAXECRSA-N 1 0 325.412 4.066 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001173234122 1050363080 /nfs/dbraw/zinc/36/30/80/1050363080.db2.gz NAKVRFGJJHXGAM-ZMZPIMSZSA-N 1 0 332.350 4.081 20 5 EIBDRO COc1ccc([C@@H]([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC001173235336 1050363548 /nfs/dbraw/zinc/36/35/48/1050363548.db2.gz SJLNXCHEMDKEQF-XOBRGWDASA-N 1 0 340.423 4.275 20 5 EIBDRO CC(C)(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCO1 ZINC000618572080 1050413806 /nfs/dbraw/zinc/41/38/06/1050413806.db2.gz TZMNYQOSPCYSPJ-ROUUACIJSA-N 1 0 332.444 4.157 20 5 EIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC3=CCCCC3)CC2)cc1 ZINC000130948635 1050443252 /nfs/dbraw/zinc/44/32/52/1050443252.db2.gz ZAFMIMMUHZFXLW-UHFFFAOYSA-N 1 0 329.444 4.044 20 5 EIBDRO CCCC[C@@](C)(CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001179025478 1050603759 /nfs/dbraw/zinc/60/37/59/1050603759.db2.gz XWWSMFVJTPFSMM-SFHVURJKSA-N 1 0 348.468 4.354 20 5 EIBDRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618985559 1050611915 /nfs/dbraw/zinc/61/19/15/1050611915.db2.gz MLRFAPWOJWNQOD-UGSOOPFHSA-N 1 0 325.412 4.371 20 5 EIBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCS1 ZINC001179717459 1050762056 /nfs/dbraw/zinc/76/20/56/1050762056.db2.gz SXOORVSNSCRQLG-OCCSQVGLSA-N 1 0 332.425 4.229 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000182677963 1050790896 /nfs/dbraw/zinc/79/08/96/1050790896.db2.gz WPBNAMGHIGLPCF-INIZCTEOSA-N 1 0 332.787 4.252 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@H+](CCc2cccc(Cl)c2)C2CC2)c1 ZINC001179913939 1050833904 /nfs/dbraw/zinc/83/39/04/1050833904.db2.gz NSPGNBKCCFFUHB-UHFFFAOYSA-N 1 0 330.815 4.455 20 5 EIBDRO Cc1cc2cc3cc(C)c(Nc4ccc(=O)n(C)c4)cc3[nH+]c2cc1N ZINC001174359067 1050923373 /nfs/dbraw/zinc/92/33/73/1050923373.db2.gz ONCDVNAOHGCPAL-UHFFFAOYSA-N 1 0 344.418 4.029 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000183384114 1051111126 /nfs/dbraw/zinc/11/11/26/1051111126.db2.gz XBKUYHDZIPKZBG-UHFFFAOYSA-N 1 0 332.444 4.074 20 5 EIBDRO CCC[C@H]([NH2+]CCCc1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000183493020 1051135017 /nfs/dbraw/zinc/13/50/17/1051135017.db2.gz NVHVEGFAYFSNAU-IBGZPJMESA-N 1 0 344.459 4.009 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000183515941 1051146072 /nfs/dbraw/zinc/14/60/72/1051146072.db2.gz RHOPVCBVFMAQFE-UYHISHBKSA-N 1 0 346.814 4.429 20 5 EIBDRO COCCC1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC001181111850 1051151650 /nfs/dbraw/zinc/15/16/50/1051151650.db2.gz HEMJGXLCGONRBL-UHFFFAOYSA-N 1 0 340.851 4.325 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001181418924 1051219279 /nfs/dbraw/zinc/21/92/79/1051219279.db2.gz RKLIXAJYGIDWEW-RTXFEEFZSA-N 1 0 328.334 4.139 20 5 EIBDRO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000183707246 1051308175 /nfs/dbraw/zinc/30/81/75/1051308175.db2.gz LEAVNZGCAPBSIH-CQSZACIVSA-N 1 0 337.379 4.443 20 5 EIBDRO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000183712532 1051309944 /nfs/dbraw/zinc/30/99/44/1051309944.db2.gz IVILMAPLDMAIQS-AWEZNQCLSA-N 1 0 337.379 4.443 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC001191047482 1051347938 /nfs/dbraw/zinc/34/79/38/1051347938.db2.gz FWTFWSLSCFBJCQ-HNNXBMFYSA-N 1 0 346.814 4.117 20 5 EIBDRO Cc1ccc(C[C@@H](C)[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC001191123472 1051359124 /nfs/dbraw/zinc/35/91/24/1051359124.db2.gz WAVDLQBRNWQTMQ-QGZVFWFLSA-N 1 0 342.439 4.235 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001181986882 1051364503 /nfs/dbraw/zinc/36/45/03/1051364503.db2.gz PCWYHUVJHPSVKX-HNNXBMFYSA-N 1 0 328.387 4.340 20 5 EIBDRO COc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C2CC2)cc1 ZINC000131038998 1051472793 /nfs/dbraw/zinc/47/27/93/1051472793.db2.gz NUZVGRGJJQGVIU-SFHVURJKSA-N 1 0 346.814 4.498 20 5 EIBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC001182387750 1051538518 /nfs/dbraw/zinc/53/85/18/1051538518.db2.gz LYAPUAAUANBKNF-IXDOHACOSA-N 1 0 345.487 4.368 20 5 EIBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1(CC)CC ZINC001191822680 1051561877 /nfs/dbraw/zinc/56/18/77/1051561877.db2.gz YAYIOGAYBOULTI-DLBZAZTESA-N 1 0 338.423 4.150 20 5 EIBDRO CC(C)[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000774410569 1051582058 /nfs/dbraw/zinc/58/20/58/1051582058.db2.gz PTLVWDCWMUOZFF-MSOLQXFVSA-N 1 0 348.830 4.269 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(c3ccc(F)cc3)CCCC2)cc1 ZINC001192003859 1051601671 /nfs/dbraw/zinc/60/16/71/1051601671.db2.gz CTRPFVCGWMFGQF-UHFFFAOYSA-N 1 0 344.386 4.172 20 5 EIBDRO Cc1cccc([C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C)c1 ZINC000775525206 1051707209 /nfs/dbraw/zinc/70/72/09/1051707209.db2.gz YWVXXIHAPYIWTK-MOPGFXCFSA-N 1 0 342.439 4.314 20 5 EIBDRO Cc1cccc([C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C)c1 ZINC000775525501 1051726673 /nfs/dbraw/zinc/72/66/73/1051726673.db2.gz YWVXXIHAPYIWTK-RBUKOAKNSA-N 1 0 342.439 4.314 20 5 EIBDRO C[C@@H]([NH2+]CCSc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001192674346 1051790280 /nfs/dbraw/zinc/79/02/80/1051790280.db2.gz ZPXMUORUQBELPY-LLVKDONJSA-N 1 0 338.379 4.316 20 5 EIBDRO C[C@H]([NH2+]CCCOc1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC001175890927 1051817887 /nfs/dbraw/zinc/81/78/87/1051817887.db2.gz ZUFGZNNIFAHNBC-ZDUSSCGKSA-N 1 0 334.803 4.368 20 5 EIBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001183373231 1051837673 /nfs/dbraw/zinc/83/76/73/1051837673.db2.gz XDFNXAKAXQKNJK-KDURUIRLSA-N 1 0 346.474 4.292 20 5 EIBDRO C[NH+](C)[C@@H]1CCOc2c(Nc3ccc(/C=C/[N+](=O)[O-])cc3)cccc21 ZINC001175905654 1051840124 /nfs/dbraw/zinc/84/01/24/1051840124.db2.gz BEXCTNHMIBEORD-NCUBBLFSSA-N 1 0 339.395 4.063 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCCC3(CCC3)O2)C2CC2)cc1 ZINC001192939419 1051842005 /nfs/dbraw/zinc/84/20/05/1051842005.db2.gz MWUUBGMKBWYAJP-GOSISDBHSA-N 1 0 330.428 4.051 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)cc1Cl ZINC001183463447 1051847118 /nfs/dbraw/zinc/84/71/18/1051847118.db2.gz FWOJXQVJCMGVDN-ZYHUDNBSSA-N 1 0 334.725 4.235 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC1(CC2CC2)CC1 ZINC001183560654 1051862906 /nfs/dbraw/zinc/86/29/06/1051862906.db2.gz DRLACIOBZAOKSR-UHFFFAOYSA-N 1 0 328.334 4.284 20 5 EIBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC001183532147 1051863806 /nfs/dbraw/zinc/86/38/06/1051863806.db2.gz ASCSQRVMRWVAPZ-ZIAGYGMSSA-N 1 0 339.233 4.026 20 5 EIBDRO C[C@H]([NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C)c1ccccc1[N+](=O)[O-] ZINC001183652847 1051877893 /nfs/dbraw/zinc/87/78/93/1051877893.db2.gz WEGQTCRKEIXZMF-ZOCIIQOWSA-N 1 0 340.423 4.492 20 5 EIBDRO C[C@@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001176028246 1051880163 /nfs/dbraw/zinc/88/01/63/1051880163.db2.gz LEFUVVKHFJYKAY-CQSZACIVSA-N 1 0 349.390 4.037 20 5 EIBDRO CC[C@@H](OCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001176037924 1051882089 /nfs/dbraw/zinc/88/20/89/1051882089.db2.gz ZCBCXSVHOIFKFE-HNAYVOBHSA-N 1 0 328.412 4.413 20 5 EIBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2c(Br)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC001193649801 1051968265 /nfs/dbraw/zinc/96/82/65/1051968265.db2.gz XPGPLBSFFJXYKY-JTNHKYCSSA-N 1 0 341.249 4.272 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001184340468 1051998094 /nfs/dbraw/zinc/99/80/94/1051998094.db2.gz XAUZXFFWZGDBRL-AHRSYUTCSA-N 1 0 338.451 4.384 20 5 EIBDRO COc1ccc(Nc2ccccc2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC001176362358 1052037516 /nfs/dbraw/zinc/03/75/16/1052037516.db2.gz BROQRGXIISFFIJ-UHFFFAOYSA-N 1 0 341.411 4.333 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1NCCC[N@@H+]1CCc2ccccc2C1 ZINC001184819678 1052111516 /nfs/dbraw/zinc/11/15/16/1052111516.db2.gz FLQXJBWIUSDNED-UHFFFAOYSA-N 1 0 345.830 4.109 20 5 EIBDRO Cc1cc(Nc2cccc(C[NH+]3CCSCC3)c2)c([N+](=O)[O-])s1 ZINC001185241888 1052202467 /nfs/dbraw/zinc/20/24/67/1052202467.db2.gz NQSSPJAUQFSQBY-UHFFFAOYSA-N 1 0 349.481 4.257 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000072598233 1052497415 /nfs/dbraw/zinc/49/74/15/1052497415.db2.gz VIJVPOWZTGJJNK-AWEZNQCLSA-N 1 0 343.402 4.371 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000850457596 1053234774 /nfs/dbraw/zinc/23/47/74/1053234774.db2.gz KNWHEGSELZDGDW-IINYFYTJSA-N 1 0 347.440 4.097 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000764749022 1053288201 /nfs/dbraw/zinc/28/82/01/1053288201.db2.gz OFAQKXBAULIRAE-MSOLQXFVSA-N 1 0 348.830 4.413 20 5 EIBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001195156720 1053308111 /nfs/dbraw/zinc/30/81/11/1053308111.db2.gz ZORVMXAICLARRW-MSOLQXFVSA-N 1 0 325.412 4.148 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC1SCCS1)CCCC2 ZINC000850568597 1053323480 /nfs/dbraw/zinc/32/34/80/1053323480.db2.gz BUBJOWYNWLCTCP-HNNXBMFYSA-N 1 0 338.498 4.148 20 5 EIBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)[C@H]1CC1(C)C ZINC001195270947 1053355781 /nfs/dbraw/zinc/35/57/81/1053355781.db2.gz XYLUPFUZPRUATH-NEPJUHHUSA-N 1 0 341.249 4.272 20 5 EIBDRO CCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC000776580319 1053563228 /nfs/dbraw/zinc/56/32/28/1053563228.db2.gz UFFHYEVLTUOMBX-PMACEKPBSA-N 1 0 340.423 4.028 20 5 EIBDRO CC(C)(C)[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776586181 1053567970 /nfs/dbraw/zinc/56/79/70/1053567970.db2.gz DBDXSDPCZLWFIM-ZWKOTPCHSA-N 1 0 328.412 4.005 20 5 EIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)ccc1Cl ZINC000852595548 1053593711 /nfs/dbraw/zinc/59/37/11/1053593711.db2.gz IGDIZJNUDQEIIM-RHSMWYFYSA-N 1 0 338.835 4.029 20 5 EIBDRO CCc1nc([C@@H](C)[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cs1 ZINC000866264433 1053669190 /nfs/dbraw/zinc/66/91/90/1053669190.db2.gz OGGYDUATRNIMJQ-GHMZBOCLSA-N 1 0 337.420 4.035 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000866620885 1053809059 /nfs/dbraw/zinc/80/90/59/1053809059.db2.gz NUUCCJOZSHHPGK-OLZOCXBDSA-N 1 0 325.368 4.456 20 5 EIBDRO C[N@@H+]1CCC[C@H](CNc2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301409063 1053870889 /nfs/dbraw/zinc/87/08/89/1053870889.db2.gz IYWFWXVVBBBEIJ-CXAGYDPISA-N 1 0 331.441 4.151 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC001197661365 1053961358 /nfs/dbraw/zinc/96/13/58/1053961358.db2.gz UTKLFGQQKTXJRP-AUUYWEPGSA-N 1 0 326.396 4.187 20 5 EIBDRO C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC001197658223 1053962232 /nfs/dbraw/zinc/96/22/32/1053962232.db2.gz DXHLFUWIKWMQOO-HNAYVOBHSA-N 1 0 326.396 4.057 20 5 EIBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC001198010202 1054046091 /nfs/dbraw/zinc/04/60/91/1054046091.db2.gz FSYOHCVUIMZTHZ-CRAIPNDOSA-N 1 0 340.423 4.372 20 5 EIBDRO COCc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)cc1 ZINC000872021086 1054335297 /nfs/dbraw/zinc/33/52/97/1054335297.db2.gz ODAYZDNVPANCSC-CYBMUJFWSA-N 1 0 346.452 4.314 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000872033493 1054350874 /nfs/dbraw/zinc/35/08/74/1054350874.db2.gz IDELSOLRKKTLGR-BDJLRTHQSA-N 1 0 344.436 4.360 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)c1ccccc1C ZINC000872041079 1054355522 /nfs/dbraw/zinc/35/55/22/1054355522.db2.gz POGVXMIXBVEKKS-CXAGYDPISA-N 1 0 346.452 4.009 20 5 EIBDRO C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043815 1054356393 /nfs/dbraw/zinc/35/63/93/1054356393.db2.gz MIMFJXQXHRLGCA-ZUEVXXBESA-N 1 0 344.386 4.162 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000872048466 1054361083 /nfs/dbraw/zinc/36/10/83/1054361083.db2.gz JOSCEVIDNULWGW-STQMWFEESA-N 1 0 336.457 4.069 20 5 EIBDRO C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872060562 1054369776 /nfs/dbraw/zinc/36/97/76/1054369776.db2.gz RAVAHPHTKNTQMY-KKUMJFAQSA-N 1 0 349.450 4.038 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCOc1cc(C)cc(C)c1 ZINC001199707837 1054451344 /nfs/dbraw/zinc/45/13/44/1054451344.db2.gz BLEHWYYNIXEHKB-LICLKQGHSA-N 1 0 340.423 4.284 20 5 EIBDRO Cc1c(C[NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000873022589 1054479643 /nfs/dbraw/zinc/47/96/43/1054479643.db2.gz OTSXULYDEDMVNZ-UYAOXDASSA-N 1 0 340.423 4.161 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000873108334 1054486548 /nfs/dbraw/zinc/48/65/48/1054486548.db2.gz XDIGDMPITZKXEG-XLIONFOSSA-N 1 0 340.423 4.222 20 5 EIBDRO O=C1OCC[C@@H]1CCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000873163394 1054497134 /nfs/dbraw/zinc/49/71/34/1054497134.db2.gz QROMDNXSYPNOQS-INIZCTEOSA-N 1 0 333.431 4.426 20 5 EIBDRO Cc1cccc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC001199971692 1054509371 /nfs/dbraw/zinc/50/93/71/1054509371.db2.gz FHWMDFBNRMCOFO-UHFFFAOYSA-N 1 0 336.391 4.496 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccns1 ZINC000858578858 1054525088 /nfs/dbraw/zinc/52/50/88/1054525088.db2.gz XWMOWRQZKCIMQR-VXGBXAGGSA-N 1 0 337.470 4.273 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCc2ccc(Cl)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858581631 1054528942 /nfs/dbraw/zinc/52/89/42/1054528942.db2.gz HJNWDESREZKSQO-HWPZZCPQSA-N 1 0 331.803 4.169 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CC2CCC2)c2ccccc2)cc1 ZINC000776155956 1054754697 /nfs/dbraw/zinc/75/46/97/1054754697.db2.gz JMASVLNVFOEFBZ-WOJBJXKFSA-N 1 0 340.423 4.149 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000765811852 1055472468 /nfs/dbraw/zinc/47/24/68/1055472468.db2.gz VUFXFTBHFNJIOU-SCLBCKFNSA-N 1 0 348.830 4.115 20 5 EIBDRO Cc1c([C@H](C)[NH2+]C[C@](C)(O)c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000765813759 1055490247 /nfs/dbraw/zinc/49/02/47/1055490247.db2.gz DVTIBKPNYPASOP-UGSOOPFHSA-N 1 0 348.830 4.115 20 5 EIBDRO CC(=O)c1ccc(NC2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000301480006 1055574304 /nfs/dbraw/zinc/57/43/04/1055574304.db2.gz RIXPNMZCLAYRIY-UHFFFAOYSA-N 1 0 345.443 4.006 20 5 EIBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC000301588417 1055741478 /nfs/dbraw/zinc/74/14/78/1055741478.db2.gz PUUBGFJKUXNFAZ-RHSMWYFYSA-N 1 0 343.402 4.056 20 5 EIBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273409120 1055802217 /nfs/dbraw/zinc/80/22/17/1055802217.db2.gz HZWNMMWWHFWJDQ-IEBWSBKVSA-N 1 0 344.386 4.086 20 5 EIBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273409125 1055802976 /nfs/dbraw/zinc/80/29/76/1055802976.db2.gz HZWNMMWWHFWJDQ-PKOBYXMFSA-N 1 0 344.386 4.086 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273464585 1055858320 /nfs/dbraw/zinc/85/83/20/1055858320.db2.gz IGYSAZTWESMPEO-MJGOQNOKSA-N 1 0 344.386 4.052 20 5 EIBDRO CCN(C)c1ccccc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000765847237 1055870817 /nfs/dbraw/zinc/87/08/17/1055870817.db2.gz BGEIHLQXDAUPFU-OAHLLOKOSA-N 1 0 327.428 4.210 20 5 EIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000273705711 1056089448 /nfs/dbraw/zinc/08/94/48/1056089448.db2.gz NKYVNZOFKRNXKV-STQMWFEESA-N 1 0 344.415 4.074 20 5 EIBDRO C[N@H+](CCCNc1ccc([N+](=O)[O-])c2cnccc12)C1CCCCC1 ZINC000327346516 1056687034 /nfs/dbraw/zinc/68/70/34/1056687034.db2.gz CUKKFJYKYRQBFR-UHFFFAOYSA-N 1 0 342.443 4.210 20 5 EIBDRO CS[C@@H]1CC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000742382530 1058582691 /nfs/dbraw/zinc/58/26/91/1058582691.db2.gz CLUUPKOEXZNBPV-SWLSCSKDSA-N 1 0 349.481 4.092 20 5 EIBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)c1cccc(Cl)c1 ZINC000743263256 1058907906 /nfs/dbraw/zinc/90/79/06/1058907906.db2.gz AHBWKJNKGKRYGK-GOSISDBHSA-N 1 0 348.830 4.192 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3ccc(Cl)cc3Cl)CC2)C1 ZINC001168977875 1060550118 /nfs/dbraw/zinc/55/01/18/1060550118.db2.gz NFVMSTXVDBVXAA-JQWIXIFHSA-N 1 0 329.227 4.018 20 5 EIBDRO CC(C)([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC001168984437 1060555676 /nfs/dbraw/zinc/55/56/76/1060555676.db2.gz NUEPEPXATUHCHK-ZYHUDNBSSA-N 1 0 331.243 4.264 20 5 EIBDRO CC(C)(Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168995582 1060568075 /nfs/dbraw/zinc/56/80/75/1060568075.db2.gz SBLPJTUEUHOHNV-DZGCQCFKSA-N 1 0 344.377 4.062 20 5 EIBDRO CC(C)(Cc1ccc2ccccc2c1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168975521 1060568528 /nfs/dbraw/zinc/56/85/28/1060568528.db2.gz WAECJZYYXXLFRL-QFBILLFUSA-N 1 0 326.440 4.196 20 5 EIBDRO Cc1ccc(Oc2ccc(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)cc2)cc1 ZINC001169000347 1060570910 /nfs/dbraw/zinc/57/09/10/1060570910.db2.gz XNNFBENLWCPXNJ-ZWKOTPCHSA-N 1 0 340.423 4.322 20 5 EIBDRO CCCC[C@H]([NH3+])Cc1cn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168987885 1060586416 /nfs/dbraw/zinc/58/64/16/1060586416.db2.gz LBEMVZRPMLKAOJ-SZMVWBNQSA-N 1 0 343.471 4.319 20 5 EIBDRO CC1(C)C[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001169137236 1060653748 /nfs/dbraw/zinc/65/37/48/1060653748.db2.gz JESLXHUKNLYQOD-DJJJIMSYSA-N 1 0 342.443 4.099 20 5 EIBDRO Cc1ccc([C@@H]2CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001169198448 1060682822 /nfs/dbraw/zinc/68/28/22/1060682822.db2.gz XSWIHUORGAHDMZ-GOSISDBHSA-N 1 0 340.423 4.162 20 5 EIBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001169282478 1060740213 /nfs/dbraw/zinc/74/02/13/1060740213.db2.gz DFOWQIDSPKFLLZ-FZMZJTMJSA-N 1 0 341.249 4.368 20 5 EIBDRO COc1cc(N2CCC[C@H]([NH3+])c3cc(C)ccc32)cc([N+](=O)[O-])c1C ZINC001169689345 1060899867 /nfs/dbraw/zinc/89/98/67/1060899867.db2.gz DBCKIELGXXRDSV-INIZCTEOSA-N 1 0 341.411 4.152 20 5 EIBDRO COc1cc(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)cc([N+](=O)[O-])c1C ZINC001169689347 1060900262 /nfs/dbraw/zinc/90/02/62/1060900262.db2.gz DBCKIELGXXRDSV-MRXNPFEDSA-N 1 0 341.411 4.152 20 5 EIBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc2cccnc2c([N+](=O)[O-])c1 ZINC001169689992 1060902609 /nfs/dbraw/zinc/90/26/09/1060902609.db2.gz KPGZQBXEUWOSIE-QGZVFWFLSA-N 1 0 348.406 4.383 20 5 EIBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001169697574 1060905260 /nfs/dbraw/zinc/90/52/60/1060905260.db2.gz NVLJDDUZEMIMCV-MRXNPFEDSA-N 1 0 336.395 4.316 20 5 EIBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000068836738 215340201 /nfs/dbraw/zinc/34/02/01/215340201.db2.gz NSJRSTVODGJLCK-OAHLLOKOSA-N 1 0 335.404 4.044 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(Cl)cc3cccnc32)cc1 ZINC000532166910 1032072409 /nfs/dbraw/zinc/07/24/09/1032072409.db2.gz UINNLPQEMHEWBL-UHFFFAOYSA-N 1 0 341.798 4.129 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCOCCc1ccccc1 ZINC000532194655 1032080914 /nfs/dbraw/zinc/08/09/14/1032080914.db2.gz IPOZBJFIFJWWAJ-QGZVFWFLSA-N 1 0 342.439 4.203 20 5 EIBDRO COc1ccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000532215502 1032099047 /nfs/dbraw/zinc/09/90/47/1032099047.db2.gz ASAMIXZBWKHTBR-LBPRGKRZSA-N 1 0 334.803 4.150 20 5 EIBDRO CC(C)[C@@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000532974655 1032432255 /nfs/dbraw/zinc/43/22/55/1032432255.db2.gz UMLXNSPYNMBNKF-KRWDZBQOSA-N 1 0 343.427 4.303 20 5 EIBDRO CCCC[C@H](CC)COCCCNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001168118698 1032454328 /nfs/dbraw/zinc/45/43/28/1032454328.db2.gz ZMOXWNHZPGKAGF-HNNXBMFYSA-N 1 0 349.475 4.233 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000430209969 1019362654 /nfs/dbraw/zinc/36/26/54/1019362654.db2.gz ZSXMASHGOXIIDD-UHFFFAOYSA-N 1 0 344.386 4.302 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000579855808 1019677065 /nfs/dbraw/zinc/67/70/65/1019677065.db2.gz GCTHDVMTSFULDT-CQSZACIVSA-N 1 0 328.334 4.149 20 5 EIBDRO CC(C)C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)(C)C ZINC000134449959 1019813330 /nfs/dbraw/zinc/81/33/30/1019813330.db2.gz RJHDVALFFNEQLV-UHFFFAOYSA-N 1 0 346.431 4.149 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1c(C)nn(C)c1C ZINC000133752871 1019830941 /nfs/dbraw/zinc/83/09/41/1019830941.db2.gz SHDGLYJUPQIPFY-SJCJKPOMSA-N 1 0 330.432 4.055 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](CC2CCCCC2)C2CC2)c([N+](=O)[O-])c1 ZINC001167094230 1019906172 /nfs/dbraw/zinc/90/61/72/1019906172.db2.gz IUOJJDBFBOSIEZ-UHFFFAOYSA-N 1 0 333.388 4.048 20 5 EIBDRO CSc1ccc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1F ZINC000547738860 1019930868 /nfs/dbraw/zinc/93/08/68/1019930868.db2.gz ULUJQCPMWRNMJE-LBPRGKRZSA-N 1 0 334.416 4.349 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000090217604 1032867757 /nfs/dbraw/zinc/86/77/57/1032867757.db2.gz WMYUEWXLAHSNDF-QWJLCTJOSA-N 1 0 346.452 4.052 20 5 EIBDRO CCC[N@H+](CC1CCCCC1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001167146131 1020368744 /nfs/dbraw/zinc/36/87/44/1020368744.db2.gz KZVKDWRHCHEGJI-OAHLLOKOSA-N 1 0 347.459 4.214 20 5 EIBDRO C[C@H](CC(F)(F)F)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000468034153 1020919774 /nfs/dbraw/zinc/91/97/74/1020919774.db2.gz SCVYQOQOGNJOSH-BZPMIXESSA-N 1 0 330.350 4.237 20 5 EIBDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083174493 1021015949 /nfs/dbraw/zinc/01/59/49/1021015949.db2.gz ZOKXURXRZPMCKJ-HIFRSBDPSA-N 1 0 337.379 4.114 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000578905679 1021032686 /nfs/dbraw/zinc/03/26/86/1021032686.db2.gz FQAJQWFUWADMEW-ZAAXVRCTSA-N 1 0 338.407 4.092 20 5 EIBDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000279927102 1033011430 /nfs/dbraw/zinc/01/14/30/1033011430.db2.gz XSEOKVURTRZAPC-SFHVURJKSA-N 1 0 346.474 4.341 20 5 EIBDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1cccc([N+](=O)[O-])c1 ZINC000582293993 1021942832 /nfs/dbraw/zinc/94/28/32/1021942832.db2.gz HSAPDOBVDPFIIY-ZMYBRWDISA-N 1 0 326.396 4.166 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)CCCc2cccnc2)cccc1[N+](=O)[O-] ZINC000414158740 1021992816 /nfs/dbraw/zinc/99/28/16/1021992816.db2.gz UUQWYUICDQLYKX-GOEBONIOSA-N 1 0 327.428 4.360 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)Oc1ccccc1 ZINC000468622145 1022020197 /nfs/dbraw/zinc/02/01/97/1022020197.db2.gz PPYJWBXUCXBYTA-RBFDBLARSA-N 1 0 326.396 4.055 20 5 EIBDRO C[C@H](C1CC1)[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000549366784 1022087736 /nfs/dbraw/zinc/08/77/36/1022087736.db2.gz PZXXJLOGTAUZRA-SNVBAGLBSA-N 1 0 328.334 4.377 20 5 EIBDRO COC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000290402000 1022130160 /nfs/dbraw/zinc/13/01/60/1022130160.db2.gz SYKFDILKZFUYSX-SJCJKPOMSA-N 1 0 334.803 4.287 20 5 EIBDRO CCc1ccc([C@H]([NH2+][C@@H]2CS[C@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414222062 1022205298 /nfs/dbraw/zinc/20/52/98/1022205298.db2.gz DYKJKABUTAJTID-UVBSCNOISA-N 1 0 346.452 4.323 20 5 EIBDRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000432798703 1022207416 /nfs/dbraw/zinc/20/74/16/1022207416.db2.gz RHRXVXMWEUYFIX-CYBMUJFWSA-N 1 0 343.452 4.483 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)OCCc3sccc32)cc1[N+](=O)[O-] ZINC000580606028 1022301514 /nfs/dbraw/zinc/30/15/14/1022301514.db2.gz PAONOGTVBAXMLR-UGSOOPFHSA-N 1 0 346.452 4.103 20 5 EIBDRO CC(C)CCOC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255631403 1022302161 /nfs/dbraw/zinc/30/21/61/1022302161.db2.gz RZVBUWPLFJLNKQ-ALCCZGGFSA-N 1 0 332.444 4.135 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]CCCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000180223535 1022330952 /nfs/dbraw/zinc/33/09/52/1022330952.db2.gz GJCHSACPIKUHTD-CQSZACIVSA-N 1 0 336.432 4.066 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@H](C)COc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000481046968 1022399309 /nfs/dbraw/zinc/39/93/09/1022399309.db2.gz ZMPIXWKZVQQQPE-TZMCWYRMSA-N 1 0 332.375 4.160 20 5 EIBDRO CC[C@H](CCO)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000159086826 1022444594 /nfs/dbraw/zinc/44/45/94/1022444594.db2.gz GKMAYEMTIOVUKD-QWHCGFSZSA-N 1 0 334.441 4.135 20 5 EIBDRO CS[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C(C)(C)C ZINC000541376919 1022748938 /nfs/dbraw/zinc/74/89/38/1022748938.db2.gz CZHPMIUIXVPDDS-ZDUSSCGKSA-N 1 0 348.415 4.064 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(OC(C)(C)C)nc2)cccc1[N+](=O)[O-] ZINC000181348647 1022954686 /nfs/dbraw/zinc/95/46/86/1022954686.db2.gz ZDMGYOPGAKFEQK-CQSZACIVSA-N 1 0 343.427 4.326 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566474326 1023301636 /nfs/dbraw/zinc/30/16/36/1023301636.db2.gz GNCFMNUHNNAELV-KHDYIWLOSA-N 1 0 344.386 4.087 20 5 EIBDRO Cc1c(C[N@H+](C)Cc2ccccc2N2CCCC2)cccc1[N+](=O)[O-] ZINC000051120078 1023447093 /nfs/dbraw/zinc/44/70/93/1023447093.db2.gz IAINMXSZYBGDEL-UHFFFAOYSA-N 1 0 339.439 4.135 20 5 EIBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccncc1 ZINC000610517894 1023461512 /nfs/dbraw/zinc/46/15/12/1023461512.db2.gz YMUWLBWZAWBGHM-CQSZACIVSA-N 1 0 337.379 4.143 20 5 EIBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000480762663 1023527645 /nfs/dbraw/zinc/52/76/45/1023527645.db2.gz KQOQEXQJODEDBL-WDYCEAGBSA-N 1 0 334.460 4.099 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000247351475 1023558756 /nfs/dbraw/zinc/55/87/56/1023558756.db2.gz WAPYICYUBNKRJW-HNNXBMFYSA-N 1 0 335.791 4.090 20 5 EIBDRO CCC[N@H+](CCc1cccc(F)c1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000500184359 1023576605 /nfs/dbraw/zinc/57/66/05/1023576605.db2.gz OFZKAZUFJIKHBX-UHFFFAOYSA-N 1 0 346.402 4.197 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccccc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000120286879 1023585846 /nfs/dbraw/zinc/58/58/46/1023585846.db2.gz CYBVMSDNSZSHPY-OAHLLOKOSA-N 1 0 336.338 4.437 20 5 EIBDRO Cc1ccc2c(ccnc2NCCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC001167751720 1023622138 /nfs/dbraw/zinc/62/21/38/1023622138.db2.gz NTNMCYJCURZPDF-HNNXBMFYSA-N 1 0 342.443 4.128 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2SCCc3ccccc32)c(Cl)c1 ZINC000541551807 1023655031 /nfs/dbraw/zinc/65/50/31/1023655031.db2.gz IOTAWCYQLQJBLF-QGZVFWFLSA-N 1 0 348.855 4.368 20 5 EIBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cnc2ccsc2c1 ZINC000090909929 1023675789 /nfs/dbraw/zinc/67/57/89/1023675789.db2.gz KDIVFOVGNJHTIN-LBPRGKRZSA-N 1 0 327.409 4.098 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000127305681 1023730409 /nfs/dbraw/zinc/73/04/09/1023730409.db2.gz RFDJDSWUMQHHSP-STQMWFEESA-N 1 0 328.368 4.044 20 5 EIBDRO O=[N+]([O-])c1cc(F)ccc1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000015117582 1023754414 /nfs/dbraw/zinc/75/44/14/1023754414.db2.gz HLUFOQIENKSXFT-UHFFFAOYSA-N 1 0 343.402 4.332 20 5 EIBDRO CCC(O)(CC)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000471798796 1023858515 /nfs/dbraw/zinc/85/85/15/1023858515.db2.gz LOXVSUHTOMNADX-LJQANCHMSA-N 1 0 342.439 4.215 20 5 EIBDRO CC[C@@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000178316898 1023937540 /nfs/dbraw/zinc/93/75/40/1023937540.db2.gz TVGHRXLAZIWUJP-IAGOWNOFSA-N 1 0 330.359 4.298 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430751372 1024008859 /nfs/dbraw/zinc/00/88/59/1024008859.db2.gz VRTHHEDBXXVUPP-DZKIICNBSA-N 1 0 338.398 4.331 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430751374 1024010021 /nfs/dbraw/zinc/01/00/21/1024010021.db2.gz VRTHHEDBXXVUPP-OFQRWUPVSA-N 1 0 338.398 4.331 20 5 EIBDRO Cc1c(CNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000477739533 1024090720 /nfs/dbraw/zinc/09/07/20/1024090720.db2.gz CKKIGJAHVNZRBD-KXBFYZLASA-N 1 0 345.487 4.036 20 5 EIBDRO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]2CCCC[C@H]12 ZINC000610581895 1024134280 /nfs/dbraw/zinc/13/42/80/1024134280.db2.gz XNMCFCNGYKLFRP-XNRPHZJLSA-N 1 0 329.400 4.137 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]C2CC=CC2)ccc1Oc1ccc(F)cc1 ZINC000610741229 1024804921 /nfs/dbraw/zinc/80/49/21/1024804921.db2.gz YOVJLRKAONVUOS-UHFFFAOYSA-N 1 0 328.343 4.334 20 5 EIBDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000510960084 1024867201 /nfs/dbraw/zinc/86/72/01/1024867201.db2.gz HQAVZKMJUQAFMS-DIFFPNOSSA-N 1 0 330.359 4.081 20 5 EIBDRO CC(C)COc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000610804476 1024986226 /nfs/dbraw/zinc/98/62/26/1024986226.db2.gz SDHGJRMPPJUVQK-OAHLLOKOSA-N 1 0 328.412 4.480 20 5 EIBDRO C[C@@H]1CC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@H](C)O1 ZINC000128586100 1025206026 /nfs/dbraw/zinc/20/60/26/1025206026.db2.gz LGCVOOJFMRQPTF-CHWSQXEVSA-N 1 0 346.452 4.369 20 5 EIBDRO C[NH+](C)[C@H](CNc1c(Cl)cccc1[N+](=O)[O-])c1cccs1 ZINC000432318300 1025312186 /nfs/dbraw/zinc/31/21/86/1025312186.db2.gz AQNOJSFWDYQDNR-GFCCVEGCSA-N 1 0 325.821 4.025 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000538194411 1025333175 /nfs/dbraw/zinc/33/31/75/1025333175.db2.gz JNCQZUGOWWQDKF-CABCVRRESA-N 1 0 336.395 4.192 20 5 EIBDRO COC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(C)C ZINC000538401704 1025390170 /nfs/dbraw/zinc/39/01/70/1025390170.db2.gz YKJVCRUOKUKTBS-OAHLLOKOSA-N 1 0 334.441 4.084 20 5 EIBDRO CCC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000538587887 1025471681 /nfs/dbraw/zinc/47/16/81/1025471681.db2.gz KZHAAOLAOFQRFN-INDMIFKZSA-N 1 0 344.455 4.373 20 5 EIBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000119554929 1025489387 /nfs/dbraw/zinc/48/93/87/1025489387.db2.gz RQUAQXZDAPTBQN-FOCJUVANSA-N 1 0 344.415 4.120 20 5 EIBDRO Cn1cccc1[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000538725520 1025512342 /nfs/dbraw/zinc/51/23/42/1025512342.db2.gz ZYAXRUDODSWLFB-QBUQCISBSA-N 1 0 325.412 4.174 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1ccccc1COC)c1cccc([N+](=O)[O-])c1 ZINC000119576118 1025514659 /nfs/dbraw/zinc/51/46/59/1025514659.db2.gz MNHNMUZXUNTLBT-LJQANCHMSA-N 1 0 328.412 4.372 20 5 EIBDRO C[N@@H+]1CC[C@@H](Nc2ccnc3c2cccc3[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000432334815 1025644021 /nfs/dbraw/zinc/64/40/21/1025644021.db2.gz KMEAXGYKCRHSSF-XLIONFOSSA-N 1 0 348.406 4.000 20 5 EIBDRO C[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)[NH+](C)C ZINC000472080532 1025696495 /nfs/dbraw/zinc/69/64/95/1025696495.db2.gz PZRVMSODWXCACF-FZKQIMNGSA-N 1 0 347.846 4.029 20 5 EIBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000539038052 1025752707 /nfs/dbraw/zinc/75/27/07/1025752707.db2.gz RLQGHNWMTUKDLM-NFBUACBFSA-N 1 0 346.471 4.099 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CCOC)C(C)(C)C)cc1[N+](=O)[O-] ZINC000511035055 1025770558 /nfs/dbraw/zinc/77/05/58/1025770558.db2.gz SDMAREPUQNBJBL-DYVFJYSZSA-N 1 0 338.448 4.095 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000511036387 1025774833 /nfs/dbraw/zinc/77/48/33/1025774833.db2.gz FUCMRFVPNHTHHO-DEYYWGMASA-N 1 0 343.402 4.191 20 5 EIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Cc1cccnc1 ZINC000182034876 1025882534 /nfs/dbraw/zinc/88/25/34/1025882534.db2.gz HNOIJYAWIFLRCZ-UHFFFAOYSA-N 1 0 339.420 4.350 20 5 EIBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C12CCCCC2 ZINC001167535353 1025977108 /nfs/dbraw/zinc/97/71/08/1025977108.db2.gz VGHVNPDQFUZIKA-QZTJIDSGSA-N 1 0 332.444 4.155 20 5 EIBDRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001167543910 1026041072 /nfs/dbraw/zinc/04/10/72/1026041072.db2.gz GOHSMZKVJJCTDI-CQSZACIVSA-N 1 0 341.249 4.368 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000168084966 1026120127 /nfs/dbraw/zinc/12/01/27/1026120127.db2.gz NKDAAUQDVYQVJI-JTQLQIEISA-N 1 0 340.301 4.186 20 5 EIBDRO Cc1cccnc1[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(C)(C)C ZINC000934290093 1026162755 /nfs/dbraw/zinc/16/27/55/1026162755.db2.gz WABHDOPBGNGRAV-KRWDZBQOSA-N 1 0 331.391 4.314 20 5 EIBDRO COc1c(O)ccc(C[NH2+][C@@H](C)c2cccc(C3CC3)c2)c1[N+](=O)[O-] ZINC000894656737 1026297987 /nfs/dbraw/zinc/29/79/87/1026297987.db2.gz FCIOVOYESYGPMZ-LBPRGKRZSA-N 1 0 342.395 4.037 20 5 EIBDRO CCC1(C)CC[NH+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000263781166 1026362487 /nfs/dbraw/zinc/36/24/87/1026362487.db2.gz YVGMAQVUOCOBNZ-CYBMUJFWSA-N 1 0 344.415 4.218 20 5 EIBDRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000182148497 1026607220 /nfs/dbraw/zinc/60/72/20/1026607220.db2.gz FSCBXSFHNYYUDU-ZIAGYGMSSA-N 1 0 341.411 4.273 20 5 EIBDRO CC(C)C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000178565097 1026639188 /nfs/dbraw/zinc/63/91/88/1026639188.db2.gz ALGOEIVYRJMJFK-OALUTQOASA-N 1 0 328.412 4.005 20 5 EIBDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000507140505 1026658295 /nfs/dbraw/zinc/65/82/95/1026658295.db2.gz DWEKCXILDUCPDL-IBGZPJMESA-N 1 0 326.396 4.113 20 5 EIBDRO COc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c2ccccc12 ZINC000507158789 1026669569 /nfs/dbraw/zinc/66/95/69/1026669569.db2.gz FVPDIBQILSRHCC-UHFFFAOYSA-N 1 0 336.391 4.389 20 5 EIBDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000507190407 1026695284 /nfs/dbraw/zinc/69/52/84/1026695284.db2.gz ZFUWZQOFGVBCTF-INIZCTEOSA-N 1 0 331.441 4.339 20 5 EIBDRO CC(C)(COCc1ccccc1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000500463164 1026773482 /nfs/dbraw/zinc/77/34/82/1026773482.db2.gz OPDAYVPRGSHWBR-WQLSENKSSA-N 1 0 340.423 4.193 20 5 EIBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccc(OC)c1 ZINC000507700780 1026879368 /nfs/dbraw/zinc/87/93/68/1026879368.db2.gz MFISUHUSFFNDQI-HNNXBMFYSA-N 1 0 344.411 4.065 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178660783 1027264920 /nfs/dbraw/zinc/26/49/20/1027264920.db2.gz XCQAKBHHNLLOLT-LSDHHAIUSA-N 1 0 336.395 4.192 20 5 EIBDRO CC(C)c1[nH+]c(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c2ccccn21 ZINC000582126732 1027311215 /nfs/dbraw/zinc/31/12/15/1027311215.db2.gz QJEZOZWZZKJUNR-AWEZNQCLSA-N 1 0 338.411 4.217 20 5 EIBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310795435 1027405195 /nfs/dbraw/zinc/40/51/95/1027405195.db2.gz FMJFBTAOYQTWLC-GDBMZVCRSA-N 1 0 343.402 4.056 20 5 EIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000612134823 1027433303 /nfs/dbraw/zinc/43/33/03/1027433303.db2.gz CWRGZEWZOJFCJU-QWHCGFSZSA-N 1 0 344.415 4.074 20 5 EIBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001167625129 1027458192 /nfs/dbraw/zinc/45/81/92/1027458192.db2.gz SQIMXRWEZBGLSV-UHFFFAOYSA-N 1 0 345.365 4.098 20 5 EIBDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000178684780 1027481866 /nfs/dbraw/zinc/48/18/66/1027481866.db2.gz JVMCFNZMWAICSN-FZKQIMNGSA-N 1 0 342.395 4.168 20 5 EIBDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000444675375 1027956385 /nfs/dbraw/zinc/95/63/85/1027956385.db2.gz LWGOMLJRJCYQEH-CZUORRHYSA-N 1 0 344.415 4.045 20 5 EIBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000522558079 1028005247 /nfs/dbraw/zinc/00/52/47/1028005247.db2.gz UMJGRKVCYHQPDB-QGZVFWFLSA-N 1 0 330.815 4.238 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000441451538 1028008893 /nfs/dbraw/zinc/00/88/93/1028008893.db2.gz NPMZTLRWGBFLDG-MRXNPFEDSA-N 1 0 338.835 4.172 20 5 EIBDRO C[C@@H]([NH2+]C1(CNc2ccc([N+](=O)[O-])nc2)CCCC1)c1ccccc1 ZINC000583210510 1028262833 /nfs/dbraw/zinc/26/28/33/1028262833.db2.gz XVNQCJYPQQIHQE-OAHLLOKOSA-N 1 0 340.427 4.065 20 5 EIBDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000583332759 1028521017 /nfs/dbraw/zinc/52/10/17/1028521017.db2.gz SJIFOGVCSKJYQT-YJLNNSPDSA-N 1 0 332.444 4.156 20 5 EIBDRO CCC[C@H]([NH2+]CCn1cnc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000346791827 1028670149 /nfs/dbraw/zinc/67/01/49/1028670149.db2.gz IIXHNAKPXHEFEG-KRWDZBQOSA-N 1 0 338.411 4.076 20 5 EIBDRO Cc1nc2ccc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cc2s1 ZINC000583408493 1028670871 /nfs/dbraw/zinc/67/08/71/1028670871.db2.gz ZVOGWYMODXXUMJ-UHFFFAOYSA-N 1 0 341.436 4.187 20 5 EIBDRO COc1cc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000572990765 1029009919 /nfs/dbraw/zinc/00/99/19/1029009919.db2.gz DOGYDVZGLKYOTJ-GFCCVEGCSA-N 1 0 334.803 4.150 20 5 EIBDRO CCCC[C@@H](COC)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000522961913 1029134416 /nfs/dbraw/zinc/13/44/16/1029134416.db2.gz LWMMXFCDHJMJKH-HNNXBMFYSA-N 1 0 332.400 4.150 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000532460310 1029277018 /nfs/dbraw/zinc/27/70/18/1029277018.db2.gz BLIJSQZWFZPCIH-GFCCVEGCSA-N 1 0 336.338 4.355 20 5 EIBDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000523008761 1029365944 /nfs/dbraw/zinc/36/59/44/1029365944.db2.gz BGWWIUVELLLCKN-WMLDXEAASA-N 1 0 328.387 4.154 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000475334769 1029549268 /nfs/dbraw/zinc/54/92/68/1029549268.db2.gz QYOSYBDCICGBDA-NVXWUHKLSA-N 1 0 344.386 4.168 20 5 EIBDRO CCO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000446846494 1029599418 /nfs/dbraw/zinc/59/94/18/1029599418.db2.gz AMGKAAGTELFDKE-KRWDZBQOSA-N 1 0 334.803 4.116 20 5 EIBDRO C[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1(C)C ZINC000545416256 1029663706 /nfs/dbraw/zinc/66/37/06/1029663706.db2.gz HYKVSDZEDSPSAN-CYBMUJFWSA-N 1 0 329.400 4.118 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000090068572 1029858301 /nfs/dbraw/zinc/85/83/01/1029858301.db2.gz GSWSGQWKOAGHBV-LRDDRELGSA-N 1 0 329.356 4.305 20 5 EIBDRO CC[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447527907 1030119769 /nfs/dbraw/zinc/11/97/69/1030119769.db2.gz HJCVVLHIHMBXDF-NJAFHUGGSA-N 1 0 342.443 4.058 20 5 EIBDRO CCO[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000447552142 1030133951 /nfs/dbraw/zinc/13/39/51/1030133951.db2.gz MMGDOAQKCNCSBE-UXHICEINSA-N 1 0 340.423 4.340 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447544877 1030148699 /nfs/dbraw/zinc/14/86/99/1030148699.db2.gz WVGZMJFYBCZSBM-ORAYPTAESA-N 1 0 326.396 4.332 20 5 EIBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000451006863 1030174865 /nfs/dbraw/zinc/17/48/65/1030174865.db2.gz SJEUVWYFMSMGCQ-AWEZNQCLSA-N 1 0 331.803 4.023 20 5 EIBDRO Cc1nc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(C)s1 ZINC000451543421 1030563628 /nfs/dbraw/zinc/56/36/28/1030563628.db2.gz BLPOURDSEIPEEI-HNNXBMFYSA-N 1 0 331.441 4.048 20 5 EIBDRO CCCc1nc(C)c(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451554469 1030572723 /nfs/dbraw/zinc/57/27/23/1030572723.db2.gz ZVYQAZVAEVYISY-MRXNPFEDSA-N 1 0 343.427 4.223 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2ccncc2)s1 ZINC000532427737 1031050469 /nfs/dbraw/zinc/05/04/69/1031050469.db2.gz FAHKSHRNJCUKPI-UHFFFAOYSA-N 1 0 339.420 4.051 20 5 EIBDRO Cc1c(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)cccc1[N+](=O)[O-] ZINC000179591165 1031224068 /nfs/dbraw/zinc/22/40/68/1031224068.db2.gz QBFGNSRDUQMGIZ-LBPRGKRZSA-N 1 0 336.338 4.355 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2(CCO)CCCCC2)o1 ZINC000531429968 1031224779 /nfs/dbraw/zinc/22/47/79/1031224779.db2.gz VRHGAPHTZWCSGR-UHFFFAOYSA-N 1 0 344.411 4.030 20 5 EIBDRO CC(C)C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCC1 ZINC000520173759 1031325127 /nfs/dbraw/zinc/32/51/27/1031325127.db2.gz ZYDLGGBKRVQYTC-UHFFFAOYSA-N 1 0 344.415 4.045 20 5 EIBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000520194988 1031399168 /nfs/dbraw/zinc/39/91/68/1031399168.db2.gz OMZVMQJFSJJTSO-HNNXBMFYSA-N 1 0 342.439 4.365 20 5 EIBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000897466098 1031400894 /nfs/dbraw/zinc/40/08/94/1031400894.db2.gz NWDOWUSFTISALU-KGLIPLIRSA-N 1 0 341.411 4.008 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCc3cccc(F)c3)o2)c1 ZINC000520208706 1031428649 /nfs/dbraw/zinc/42/86/49/1031428649.db2.gz BMUSEQKBPZXWDW-UHFFFAOYSA-N 1 0 340.354 4.326 20 5 EIBDRO Cc1cccnc1[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449156875 1031488483 /nfs/dbraw/zinc/48/84/83/1031488483.db2.gz TWIPXSQXGMNHEC-YJBOKZPZSA-N 1 0 327.428 4.216 20 5 EIBDRO Cc1cccc2c(CC[NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])c[nH]c21 ZINC000449161777 1031504197 /nfs/dbraw/zinc/50/41/97/1031504197.db2.gz PLVDQDOTRADIQO-HNNXBMFYSA-N 1 0 337.423 4.148 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCC3CCOCC3)o2)cc1 ZINC000449353461 1031674266 /nfs/dbraw/zinc/67/42/66/1031674266.db2.gz BVBNOMPKZCVAJT-UHFFFAOYSA-N 1 0 344.411 4.151 20 5 EIBDRO C[C@@H](CCCc1cccnc1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000453200849 1031712038 /nfs/dbraw/zinc/71/20/38/1031712038.db2.gz WDTIVDIYXYEINK-AWEZNQCLSA-N 1 0 347.846 4.187 20 5 EIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000449422417 1031738772 /nfs/dbraw/zinc/73/87/72/1031738772.db2.gz DDDMMMNBHOIDRD-JJRVBVJISA-N 1 0 326.396 4.028 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453222234 1031740795 /nfs/dbraw/zinc/74/07/95/1031740795.db2.gz KZGMSUQFIUJAQE-QKYXUNIQSA-N 1 0 339.439 4.081 20 5 EIBDRO Cc1cc(-c2noc([C@H]3CCC[N@@H+]3C3CCCC3)n2)cc([N+](=O)[O-])c1 ZINC000453300696 1031818424 /nfs/dbraw/zinc/81/84/24/1031818424.db2.gz ZKYNYNUGXQJJQV-MRXNPFEDSA-N 1 0 342.399 4.033 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnc(C2CC2)o1 ZINC000453349264 1031877131 /nfs/dbraw/zinc/87/71/31/1031877131.db2.gz JMFRGKYTONXBNY-ZDUSSCGKSA-N 1 0 347.440 4.121 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2cccs2)C1)c1ccccc1[N+](=O)[O-] ZINC000453350541 1031878666 /nfs/dbraw/zinc/87/86/66/1031878666.db2.gz BPUORWJUOOPOGF-XEZPLFJOSA-N 1 0 332.425 4.227 20 5 EIBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)c2cc([N+](=O)[O-])ccc21 ZINC000453441598 1031970586 /nfs/dbraw/zinc/97/05/86/1031970586.db2.gz WWHRFHMLEIDMJG-DYVFJYSZSA-N 1 0 332.444 4.112 20 5 EIBDRO CCCCC[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000532013927 1031975412 /nfs/dbraw/zinc/97/54/12/1031975412.db2.gz INRPGBWBFXSJDH-INIZCTEOSA-N 1 0 334.416 4.006 20 5 EIBDRO CCCCC[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000532013928 1031975860 /nfs/dbraw/zinc/97/58/60/1031975860.db2.gz INRPGBWBFXSJDH-MRXNPFEDSA-N 1 0 334.416 4.006 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000532099232 1032043421 /nfs/dbraw/zinc/04/34/21/1032043421.db2.gz KHIYIZYXNQDYEG-RLFYNMQTSA-N 1 0 334.460 4.395 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532127306 1032055210 /nfs/dbraw/zinc/05/52/10/1032055210.db2.gz RYFAFPJRDBJDHZ-HUUCEWRRSA-N 1 0 348.443 4.100 20 5 EIBDRO Cc1ccc(Nc2cccc3c2OCC[C@H]3[NH+](C)C)c([N+](=O)[O-])c1 ZINC000432923442 1033426123 /nfs/dbraw/zinc/42/61/23/1033426123.db2.gz GAGBMBOKZJOUEW-MRXNPFEDSA-N 1 0 327.384 4.032 20 5 EIBDRO Cc1cnc(C2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000432959766 1033496692 /nfs/dbraw/zinc/49/66/92/1033496692.db2.gz KQWPZPRPQNSNBH-XQRVVYSFSA-N 1 0 343.452 4.253 20 5 EIBDRO CCOC1CC(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433092203 1033830331 /nfs/dbraw/zinc/83/03/31/1033830331.db2.gz WOMXNLRWPPNCJT-RWKZGTHUSA-N 1 0 332.444 4.112 20 5 EIBDRO C[C@H](CCO)C1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000433229782 1034079262 /nfs/dbraw/zinc/07/92/62/1034079262.db2.gz FEPZFTIKHUAGLQ-RDTXWAMCSA-N 1 0 346.471 4.096 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc3c(c2)COC3)c2cc([N+](=O)[O-])ccc21 ZINC000433294231 1034189025 /nfs/dbraw/zinc/18/90/25/1034189025.db2.gz KLRPWLBLSZIKMH-LJQANCHMSA-N 1 0 338.407 4.137 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@@H](c2cccnc2)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433304339 1034198554 /nfs/dbraw/zinc/19/85/54/1034198554.db2.gz MYNHMYUKCSFSQI-RBUKOAKNSA-N 1 0 337.423 4.453 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C)Cc1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000120632987 1034660469 /nfs/dbraw/zinc/66/04/69/1034660469.db2.gz PBBGXNATNCWEAY-DJJJIMSYSA-N 1 0 344.459 4.007 20 5 EIBDRO CCC[C@@H]([NH2+][C@H](C)Cc1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000120633439 1034660849 /nfs/dbraw/zinc/66/08/49/1034660849.db2.gz PBBGXNATNCWEAY-BFUOFWGJSA-N 1 0 344.459 4.007 20 5 EIBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000513193441 1034827622 /nfs/dbraw/zinc/82/76/22/1034827622.db2.gz CYAOIGBXHBFSJY-INIZCTEOSA-N 1 0 337.420 4.290 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3CCC(F)(F)C3)o2)c1 ZINC000430032112 1035009253 /nfs/dbraw/zinc/00/92/53/1035009253.db2.gz BKZZXMABQDIGKV-GFCCVEGCSA-N 1 0 336.338 4.380 20 5 EIBDRO Cc1cnc([C@@H](C)C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000183196208 1035337970 /nfs/dbraw/zinc/33/79/70/1035337970.db2.gz SDYADPDAKOSGHE-BLLLJJGKSA-N 1 0 345.468 4.074 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC000595014002 1035504842 /nfs/dbraw/zinc/50/48/42/1035504842.db2.gz KWWKWVNIQDJKQS-PIGZYNQJSA-N 1 0 330.359 4.081 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCc2c1cccc2C ZINC000595012149 1035504864 /nfs/dbraw/zinc/50/48/64/1035504864.db2.gz CCNRGAOEKHYMCQ-ACJLOTCBSA-N 1 0 326.396 4.250 20 5 EIBDRO CCOc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595017899 1035507330 /nfs/dbraw/zinc/50/73/30/1035507330.db2.gz WYPYVHUZVHQHFA-ZIAGYGMSSA-N 1 0 344.411 4.414 20 5 EIBDRO C[C@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595071742 1035555572 /nfs/dbraw/zinc/55/55/72/1035555572.db2.gz DECCVYQXJHZVBA-XHDPSFHLSA-N 1 0 346.349 4.136 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CSc2ccccc21 ZINC000595040613 1035564980 /nfs/dbraw/zinc/56/49/80/1035564980.db2.gz HZLACTCPJWPNGK-STQMWFEESA-N 1 0 344.436 4.144 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CSc2ccccc21 ZINC000595040610 1035565596 /nfs/dbraw/zinc/56/55/96/1035565596.db2.gz HZLACTCPJWPNGK-CHWSQXEVSA-N 1 0 344.436 4.144 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000595046794 1035567626 /nfs/dbraw/zinc/56/76/26/1035567626.db2.gz RVICKDBSZXBUEX-ZDUSSCGKSA-N 1 0 344.386 4.473 20 5 EIBDRO Cc1c([C@H](C)[NH2+]CCc2ccnc3ccccc23)cccc1[N+](=O)[O-] ZINC000595075057 1035592851 /nfs/dbraw/zinc/59/28/51/1035592851.db2.gz VQBNTKXDOANBAN-HNNXBMFYSA-N 1 0 335.407 4.345 20 5 EIBDRO C[C@]1(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000595078726 1035594222 /nfs/dbraw/zinc/59/42/22/1035594222.db2.gz ANUGGGVAGBCTRJ-KMFMINBZSA-N 1 0 338.398 4.331 20 5 EIBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3ccc(O)cc32)c2cc([N+](=O)[O-])ccc21 ZINC000595087819 1035594487 /nfs/dbraw/zinc/59/44/87/1035594487.db2.gz DYZQTUGMANWDDR-RTBURBONSA-N 1 0 338.407 4.300 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000595080750 1035594664 /nfs/dbraw/zinc/59/46/64/1035594664.db2.gz NUKMXKOZUCPVGK-XHDPSFHLSA-N 1 0 328.359 4.080 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000595097607 1035604771 /nfs/dbraw/zinc/60/47/71/1035604771.db2.gz ZSFLFMOGAJCUCV-RYGJVYDSSA-N 1 0 342.439 4.312 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000595414098 1035674132 /nfs/dbraw/zinc/67/41/32/1035674132.db2.gz AOZAWIXRIUJBII-SNVBAGLBSA-N 1 0 340.301 4.186 20 5 EIBDRO Cc1noc(C[N@@H+](C)[C@H]2CCCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595548483 1035703240 /nfs/dbraw/zinc/70/32/40/1035703240.db2.gz SNUMZCUFWUORBN-HOTGVXAUSA-N 1 0 329.400 4.049 20 5 EIBDRO COc1cc(C[NH2+][C@H](c2ccccc2F)C(C)C)ccc1[N+](=O)[O-] ZINC000595686749 1035765117 /nfs/dbraw/zinc/76/51/17/1035765117.db2.gz BDVLKHNTSVOGOO-SFHVURJKSA-N 1 0 332.375 4.229 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491061994 1035799271 /nfs/dbraw/zinc/79/92/71/1035799271.db2.gz PJFGFMXZMREVRC-ZWKOTPCHSA-N 1 0 345.487 4.244 20 5 EIBDRO COc1ccccc1CC(C)(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000237139482 1035842865 /nfs/dbraw/zinc/84/28/65/1035842865.db2.gz GIGFHNAJCPKRRU-DHZHZOJOSA-N 1 0 340.423 4.228 20 5 EIBDRO CCC[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000596649045 1035955817 /nfs/dbraw/zinc/95/58/17/1035955817.db2.gz ALXPSFIWXNITFB-OALUTQOASA-N 1 0 325.412 4.295 20 5 EIBDRO CCC[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000596649046 1035957780 /nfs/dbraw/zinc/95/77/80/1035957780.db2.gz ALXPSFIWXNITFB-RBUKOAKNSA-N 1 0 325.412 4.295 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000060356363 1036042735 /nfs/dbraw/zinc/04/27/35/1036042735.db2.gz WGUDLACBPCFLID-UHFFFAOYSA-N 1 0 328.387 4.189 20 5 EIBDRO CCOc1cc(C[NH2+]C(C)(C)c2ccccc2C)ccc1[N+](=O)[O-] ZINC000571823934 1036249467 /nfs/dbraw/zinc/24/94/67/1036249467.db2.gz ALNGTUJPBDSYFI-UHFFFAOYSA-N 1 0 328.412 4.327 20 5 EIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2ncsc2c1 ZINC000485838562 1036309850 /nfs/dbraw/zinc/30/98/50/1036309850.db2.gz GHTNYJHJTQDKGI-LBPRGKRZSA-N 1 0 327.409 4.098 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCC[C@@H]1CCCCO1 ZINC000602614068 1036517181 /nfs/dbraw/zinc/51/71/81/1036517181.db2.gz BUQFFXJHABDSSA-AWEZNQCLSA-N 1 0 346.349 4.053 20 5 EIBDRO Cn1cc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)c([N+](=O)[O-])n1 ZINC000602806109 1036628799 /nfs/dbraw/zinc/62/87/99/1036628799.db2.gz OZRRPPSSXORVDQ-INIZCTEOSA-N 1 0 348.834 4.003 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CC[C@@H]2CC2(F)F)c2ccccc2)c1 ZINC000598679499 1036742296 /nfs/dbraw/zinc/74/22/96/1036742296.db2.gz HZYCSQHZUOLDGM-NVXWUHKLSA-N 1 0 332.350 4.319 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CC1(F)F ZINC000598679862 1036745867 /nfs/dbraw/zinc/74/58/67/1036745867.db2.gz OKYJGZOTHHPNGB-RYUDHWBXSA-N 1 0 330.400 4.100 20 5 EIBDRO Cc1ccc(C[NH2+]CCc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000061014091 1036770067 /nfs/dbraw/zinc/77/00/67/1036770067.db2.gz YYMSFOUJTXQGAU-UHFFFAOYSA-N 1 0 338.329 4.254 20 5 EIBDRO Cc1ccc(C[NH2+]CCSc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000061016162 1036770728 /nfs/dbraw/zinc/77/07/28/1036770728.db2.gz JYFDFSPBWPQABH-UHFFFAOYSA-N 1 0 336.844 4.439 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1csc(C(C)C)n1 ZINC000156984965 1036787352 /nfs/dbraw/zinc/78/73/52/1036787352.db2.gz FNCGFQFLTRJFRC-CYBMUJFWSA-N 1 0 333.457 4.376 20 5 EIBDRO COc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(F)c1 ZINC000421847671 1036823832 /nfs/dbraw/zinc/82/38/32/1036823832.db2.gz YCCCISNJMKGGDH-GOSISDBHSA-N 1 0 332.375 4.229 20 5 EIBDRO COc1ccc(C[N@H+](Cc2ccccc2)[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000061110628 1036844681 /nfs/dbraw/zinc/84/46/81/1036844681.db2.gz YIOYKVJOFMUMRW-HNNXBMFYSA-N 1 0 340.423 4.404 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CC12CCSCC2)C1CC1 ZINC000421895563 1036845457 /nfs/dbraw/zinc/84/54/57/1036845457.db2.gz YRGOILVLGCZOTO-SJORKVTESA-N 1 0 346.496 4.039 20 5 EIBDRO CC(C)CC[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000486779736 1036851574 /nfs/dbraw/zinc/85/15/74/1036851574.db2.gz NRMCFTWVRXIYDE-OAHLLOKOSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H](c2ccccn2)C2CCC2)cccc1[N+](=O)[O-] ZINC000599068836 1036869687 /nfs/dbraw/zinc/86/96/87/1036869687.db2.gz QBQQWJSYJIOTNA-IFXJQAMLSA-N 1 0 325.412 4.490 20 5 EIBDRO Cc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000599070609 1036870131 /nfs/dbraw/zinc/87/01/31/1036870131.db2.gz LWPQKMPTVARHRZ-HNNXBMFYSA-N 1 0 327.428 4.235 20 5 EIBDRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000599093280 1036876505 /nfs/dbraw/zinc/87/65/05/1036876505.db2.gz WTHRRCUVEXBQSW-MCIONIFRSA-N 1 0 346.452 4.399 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000593716710 1036930394 /nfs/dbraw/zinc/93/03/94/1036930394.db2.gz RMJHZFVPKNEMEJ-OALUTQOASA-N 1 0 332.444 4.231 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000593716711 1036931379 /nfs/dbraw/zinc/93/13/79/1036931379.db2.gz RMJHZFVPKNEMEJ-RBUKOAKNSA-N 1 0 332.444 4.231 20 5 EIBDRO CC[N@H+](Cc1cccc(Cl)c1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000061253808 1036969957 /nfs/dbraw/zinc/96/99/57/1036969957.db2.gz LQYPJVYYPVMBSD-UHFFFAOYSA-N 1 0 334.803 4.279 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCC3(CC3)CC2)cc(C(F)(F)F)c1 ZINC000487210150 1037047291 /nfs/dbraw/zinc/04/72/91/1037047291.db2.gz MIXFAODLCAJTCN-UHFFFAOYSA-N 1 0 328.334 4.426 20 5 EIBDRO CC[NH+](CC)Cc1cccc(CNc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000603866147 1037061242 /nfs/dbraw/zinc/06/12/42/1037061242.db2.gz KVQALVVZNNEEJO-UHFFFAOYSA-N 1 0 331.391 4.188 20 5 EIBDRO COc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)C2CC2)cc1 ZINC000057601234 1037135412 /nfs/dbraw/zinc/13/54/12/1037135412.db2.gz MEMPMRJQRVMIMP-HNNXBMFYSA-N 1 0 340.423 4.404 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC(OC(F)F)CC1 ZINC000590662497 1037135868 /nfs/dbraw/zinc/13/58/68/1037135868.db2.gz XAQZUVUEINHTGH-FMIVXFBMSA-N 1 0 340.370 4.138 20 5 EIBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000604012540 1037146121 /nfs/dbraw/zinc/14/61/21/1037146121.db2.gz NXQIKXYRIDWOSK-LJQANCHMSA-N 1 0 344.386 4.340 20 5 EIBDRO C[C@H](c1ccc(F)cc1)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604012571 1037147035 /nfs/dbraw/zinc/14/70/35/1037147035.db2.gz RBGRFVRKKKYSPL-CQSZACIVSA-N 1 0 332.375 4.196 20 5 EIBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000604013344 1037150981 /nfs/dbraw/zinc/15/09/81/1037150981.db2.gz BSENXXNXKMYHGK-QGZVFWFLSA-N 1 0 326.396 4.249 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCOC3(CCC3)C1)CCCC2 ZINC000591348173 1037391549 /nfs/dbraw/zinc/39/15/49/1037391549.db2.gz BKNWQFIINHPOPE-YJBOKZPZSA-N 1 0 330.428 4.054 20 5 EIBDRO CSCc1cc(F)ccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000167104562 1037732908 /nfs/dbraw/zinc/73/29/08/1037732908.db2.gz NHCHCAQHBBOMKH-LBPRGKRZSA-N 1 0 334.416 4.448 20 5 EIBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1csc(C)c1 ZINC000592186190 1037775560 /nfs/dbraw/zinc/77/55/60/1037775560.db2.gz AQRWTQUUKXQCQL-INIZCTEOSA-N 1 0 348.424 4.072 20 5 EIBDRO Cc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC2CC2)cn1 ZINC000592526984 1037825041 /nfs/dbraw/zinc/82/50/41/1037825041.db2.gz UERKVDUKJXAGMV-UHFFFAOYSA-N 1 0 325.412 4.019 20 5 EIBDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000489070967 1037850502 /nfs/dbraw/zinc/85/05/02/1037850502.db2.gz QZFYOAQUOWFCAB-SFHVURJKSA-N 1 0 346.402 4.317 20 5 EIBDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000489077719 1037858724 /nfs/dbraw/zinc/85/87/24/1037858724.db2.gz ZMHSCAXASCPLNB-FZKQIMNGSA-N 1 0 348.468 4.210 20 5 EIBDRO COc1cc(C[N@H+](Cc2ccc(F)cc2)C(C)C)ccc1[N+](=O)[O-] ZINC000489246544 1037900372 /nfs/dbraw/zinc/90/03/72/1037900372.db2.gz IKRBERICDGTCFU-UHFFFAOYSA-N 1 0 332.375 4.153 20 5 EIBDRO COc1ccc([C@H]2C[C@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)C2)cc1F ZINC000503896587 1037968164 /nfs/dbraw/zinc/96/81/64/1037968164.db2.gz ZKVPJILLMZFLMS-DAXOMENPSA-N 1 0 344.386 4.339 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](CCO)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000592401846 1037998084 /nfs/dbraw/zinc/99/80/84/1037998084.db2.gz DARBJLVWOXUETE-OALUTQOASA-N 1 0 346.402 4.288 20 5 EIBDRO CC(C)c1ccc([C@@H]([NH3+])CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000423243141 1038075655 /nfs/dbraw/zinc/07/56/55/1038075655.db2.gz MTRKAWPNUDPSRU-LIRRHRJNSA-N 1 0 327.428 4.069 20 5 EIBDRO CC1(CC(F)F)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000592523699 1038139250 /nfs/dbraw/zinc/13/92/50/1038139250.db2.gz RDFBLQKENTVPSJ-UHFFFAOYSA-N 1 0 336.338 4.332 20 5 EIBDRO Cc1ccnc([C@H]2CC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000594004971 1038185668 /nfs/dbraw/zinc/18/56/68/1038185668.db2.gz REHVRUYTECAMTD-CVEARBPZSA-N 1 0 325.412 4.157 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C)cc(N)c1 ZINC000423488984 1038261409 /nfs/dbraw/zinc/26/14/09/1038261409.db2.gz ZTMAXWXFJNWOCP-INIZCTEOSA-N 1 0 345.468 4.146 20 5 EIBDRO COc1cc(C[NH2+][C@@H](C)C2CCC(F)(F)CC2)c([N+](=O)[O-])cc1F ZINC000594040011 1038270750 /nfs/dbraw/zinc/27/07/50/1038270750.db2.gz BVASOYZAGZFKGC-JTQLQIEISA-N 1 0 346.349 4.046 20 5 EIBDRO COc1cc(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)ccc1[N+](=O)[O-] ZINC000489990995 1038307663 /nfs/dbraw/zinc/30/76/63/1038307663.db2.gz TWLIFCSLVSHDCT-IBGZPJMESA-N 1 0 344.386 4.374 20 5 EIBDRO CSCc1cc(F)ccc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594496558 1038347183 /nfs/dbraw/zinc/34/71/83/1038347183.db2.gz NZPDOIMNXHZPSI-QGZVFWFLSA-N 1 0 346.427 4.374 20 5 EIBDRO Cc1c(NC(=O)CC[NH2+]C(C)(C)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000063511886 1038410737 /nfs/dbraw/zinc/41/07/37/1038410737.db2.gz RNJCRRRRPFTGBJ-UHFFFAOYSA-N 1 0 335.448 4.036 20 5 EIBDRO O=[N+]([O-])c1cc(C[N@H+](CC2CCCCC2)C2CC2)c2c(c1)COCO2 ZINC000059391059 1038480760 /nfs/dbraw/zinc/48/07/60/1038480760.db2.gz MHEWGHHUGJNRGY-UHFFFAOYSA-N 1 0 346.427 4.006 20 5 EIBDRO C[C@@]1(CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1(F)F ZINC000594977285 1038484478 /nfs/dbraw/zinc/48/44/78/1038484478.db2.gz JDBWFILYQOJGRQ-MRXNPFEDSA-N 1 0 336.338 4.380 20 5 EIBDRO CC[C@H]1c2ccsc2CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000059384341 1038550656 /nfs/dbraw/zinc/55/06/56/1038550656.db2.gz WOEVPBNHRNPBQL-AWEZNQCLSA-N 1 0 332.425 4.045 20 5 EIBDRO COc1cccc(C(C)(C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000539054102 1038803326 /nfs/dbraw/zinc/80/33/26/1038803326.db2.gz VQLGQBAIMNFQSW-CQSZACIVSA-N 1 0 328.412 4.232 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC000504900491 1038834983 /nfs/dbraw/zinc/83/49/83/1038834983.db2.gz YURKLARLQSDPDX-DOMZBBRYSA-N 1 0 344.436 4.491 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]CCCNc2ccccc2)cc1[N+](=O)[O-] ZINC000504900391 1038835430 /nfs/dbraw/zinc/83/54/30/1038835430.db2.gz XDBUQOOVVAHVCC-OAHLLOKOSA-N 1 0 343.427 4.146 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000504893396 1038838997 /nfs/dbraw/zinc/83/89/97/1038838997.db2.gz FGFGTOBVBCZFAV-NWANDNLSSA-N 1 0 338.473 4.318 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CC(C)(C)OC ZINC000504893375 1038839339 /nfs/dbraw/zinc/83/93/39/1038839339.db2.gz DZUDBRHWXXRVQY-KBPBESRZSA-N 1 0 340.489 4.259 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CC(C)(C)OC ZINC000504893377 1038840119 /nfs/dbraw/zinc/84/01/19/1038840119.db2.gz DZUDBRHWXXRVQY-UONOGXRCSA-N 1 0 340.489 4.259 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]C/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000504921184 1038844658 /nfs/dbraw/zinc/84/46/58/1038844658.db2.gz RYTPTLLIENXSLY-JOZWUWCOSA-N 1 0 326.396 4.358 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]C/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000504921185 1038845126 /nfs/dbraw/zinc/84/51/26/1038845126.db2.gz RYTPTLLIENXSLY-VSGCLNPGSA-N 1 0 326.396 4.358 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1ccncc1 ZINC000504912041 1038848944 /nfs/dbraw/zinc/84/89/44/1038848944.db2.gz PDKLMHVFVQFFMP-GOEBONIOSA-N 1 0 345.468 4.081 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccccc2F)cc1[N+](=O)[O-] ZINC000504912403 1038850118 /nfs/dbraw/zinc/85/01/18/1038850118.db2.gz VVIRGHNAXNCXGV-ZDUSSCGKSA-N 1 0 332.375 4.026 20 5 EIBDRO Cc1cc(Nc2cccc3c2OCC[C@H]3[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000461976091 1038859841 /nfs/dbraw/zinc/85/98/41/1038859841.db2.gz ZRBBRCQQEIQRSO-MRXNPFEDSA-N 1 0 345.374 4.171 20 5 EIBDRO Cc1ccccc1[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000555420707 1039175344 /nfs/dbraw/zinc/17/53/44/1039175344.db2.gz PKRDNUYCPPWPFD-GOSISDBHSA-N 1 0 328.412 4.486 20 5 EIBDRO CCC1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000513823379 1039302857 /nfs/dbraw/zinc/30/28/57/1039302857.db2.gz TXHLMSCGTJOSEE-FUHWJXTLSA-N 1 0 346.471 4.102 20 5 EIBDRO CC(C)OC1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000534343267 1039333334 /nfs/dbraw/zinc/33/33/34/1039333334.db2.gz NTDOKWTZJRHLPI-UHFFFAOYSA-N 1 0 344.411 4.244 20 5 EIBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000481375619 1039362014 /nfs/dbraw/zinc/36/20/14/1039362014.db2.gz IOXLGOLXDYOZPO-SJCJKPOMSA-N 1 0 334.803 4.114 20 5 EIBDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000481395268 1039381497 /nfs/dbraw/zinc/38/14/97/1039381497.db2.gz ZPQUKYCGRLFUID-SJKOYZFVSA-N 1 0 334.803 4.114 20 5 EIBDRO CC[C@]1(C)CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000552343503 1039407312 /nfs/dbraw/zinc/40/73/12/1039407312.db2.gz CZOJFSHUUQYJPP-QGZVFWFLSA-N 1 0 331.441 4.340 20 5 EIBDRO CC[C@@]1(C)CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000552343502 1039408464 /nfs/dbraw/zinc/40/84/64/1039408464.db2.gz CZOJFSHUUQYJPP-KRWDZBQOSA-N 1 0 331.441 4.340 20 5 EIBDRO CCCC[C@@H](CC)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000514088769 1039587888 /nfs/dbraw/zinc/58/78/88/1039587888.db2.gz MRZSOEYWNMUHIG-CRAIPNDOSA-N 1 0 344.459 4.224 20 5 EIBDRO CO[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000514137004 1039660821 /nfs/dbraw/zinc/66/08/21/1039660821.db2.gz CCGNEURZYMLNLS-SJKOYZFVSA-N 1 0 334.803 4.287 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481707042 1039759646 /nfs/dbraw/zinc/75/96/46/1039759646.db2.gz MLEHOYKOORONNB-FOIQADDNSA-N 1 0 338.407 4.177 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCO[C@H]2CCCc3ccccc32)c1 ZINC000237991094 1039831807 /nfs/dbraw/zinc/83/18/07/1039831807.db2.gz TZJRKVZBGSVABS-FQEVSTJZSA-N 1 0 340.423 4.169 20 5 EIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(C(F)(F)F)s1 ZINC000514633414 1040069019 /nfs/dbraw/zinc/06/90/19/1040069019.db2.gz BQZAKNFRUOLNNX-UHFFFAOYSA-N 1 0 344.358 4.350 20 5 EIBDRO COCC1(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000551246113 1040095056 /nfs/dbraw/zinc/09/50/56/1040095056.db2.gz KBRZNRSQJZHSAE-AEFFLSMTSA-N 1 0 346.471 4.102 20 5 EIBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000482497109 1040291849 /nfs/dbraw/zinc/29/18/49/1040291849.db2.gz YMCYORPMORZZDG-MLGOLLRUSA-N 1 0 331.441 4.339 20 5 EIBDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000535562444 1040362140 /nfs/dbraw/zinc/36/21/40/1040362140.db2.gz XPEVXYQZNGANLT-SUMWQHHRSA-N 1 0 329.400 4.260 20 5 EIBDRO CCC[C@H]([NH2+][C@H]1CCN(C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000482638610 1040402717 /nfs/dbraw/zinc/40/27/17/1040402717.db2.gz BHPDNUFWTLSHPH-LPHOPBHVSA-N 1 0 331.460 4.043 20 5 EIBDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000479495893 1040404926 /nfs/dbraw/zinc/40/49/26/1040404926.db2.gz KXGYOMZPNUMACR-VQIMIIECSA-N 1 0 342.439 4.283 20 5 EIBDRO Cn1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 ZINC000539511139 1040491620 /nfs/dbraw/zinc/49/16/20/1040491620.db2.gz JAXUHKGIOHVPJQ-UHFFFAOYSA-N 1 0 345.786 4.137 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3C3CCC3)co2)cc1 ZINC000089892802 1040515832 /nfs/dbraw/zinc/51/58/32/1040515832.db2.gz MRNHJYIRLMFUPF-KRWDZBQOSA-N 1 0 327.384 4.014 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCCSC2)s1 ZINC000553855959 1040579163 /nfs/dbraw/zinc/57/91/63/1040579163.db2.gz LYUAJRLUXGECDS-GFCCVEGCSA-N 1 0 334.466 4.309 20 5 EIBDRO C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482949721 1040592889 /nfs/dbraw/zinc/59/28/89/1040592889.db2.gz PVVRDJBIMMJPIO-ACJLOTCBSA-N 1 0 346.452 4.401 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2c3ccccc3CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000462542521 1040717074 /nfs/dbraw/zinc/71/70/74/1040717074.db2.gz MVHUKJGJTJQHPH-VLIAUNLRSA-N 1 0 340.423 4.407 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCN(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000483131967 1040727255 /nfs/dbraw/zinc/72/72/55/1040727255.db2.gz DAANNDACFJSKOH-SJORKVTESA-N 1 0 339.439 4.223 20 5 EIBDRO CO[C@H](C)C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000539818716 1040811689 /nfs/dbraw/zinc/81/16/89/1040811689.db2.gz HXAVJNMUHHRQFN-CQSZACIVSA-N 1 0 332.400 4.100 20 5 EIBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539828624 1040821493 /nfs/dbraw/zinc/82/14/93/1040821493.db2.gz FGJNXXVXICONTJ-UONOGXRCSA-N 1 0 346.452 4.059 20 5 EIBDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000120695691 1040833488 /nfs/dbraw/zinc/83/34/88/1040833488.db2.gz POTYTFUHWHDZFX-UONOGXRCSA-N 1 0 341.411 4.273 20 5 EIBDRO COC(C)(C)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000539928946 1040901142 /nfs/dbraw/zinc/90/11/42/1040901142.db2.gz JTVABTGQXJBELR-UHFFFAOYSA-N 1 0 334.441 4.180 20 5 EIBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)Oc2ccccc2F)cccc1[N+](=O)[O-] ZINC000483613522 1040911068 /nfs/dbraw/zinc/91/10/68/1040911068.db2.gz GMLWJNPEEHDZBK-OCCSQVGLSA-N 1 0 332.375 4.160 20 5 EIBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000537948745 1040914014 /nfs/dbraw/zinc/91/40/14/1040914014.db2.gz AURWKKKNPAQXDO-LBPRGKRZSA-N 1 0 336.338 4.090 20 5 EIBDRO CC[C@H]([NH2+]C[C@@H](C)Oc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000483623497 1040916335 /nfs/dbraw/zinc/91/63/35/1040916335.db2.gz LUPJYRDKGCMZJE-DYVFJYSZSA-N 1 0 332.375 4.242 20 5 EIBDRO CC[C@@H]([NH2+]C[C@@H](C)Oc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000483623496 1040917821 /nfs/dbraw/zinc/91/78/21/1040917821.db2.gz LUPJYRDKGCMZJE-CXAGYDPISA-N 1 0 332.375 4.242 20 5 EIBDRO CCC[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000161033804 1040923361 /nfs/dbraw/zinc/92/33/61/1040923361.db2.gz HXXUGNAUZRTMOZ-RTBURBONSA-N 1 0 328.412 4.149 20 5 EIBDRO CCc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000537976612 1040945623 /nfs/dbraw/zinc/94/56/23/1040945623.db2.gz DCCMUIFAQQCQOZ-ACJLOTCBSA-N 1 0 326.396 4.332 20 5 EIBDRO CC[C@@H]([NH2+][C@@H]1COc2c1ccc(C)c2C)c1cccc([N+](=O)[O-])c1 ZINC000537977661 1040945916 /nfs/dbraw/zinc/94/59/16/1040945916.db2.gz PDNXYTRRUDZSCG-QZTJIDSGSA-N 1 0 326.396 4.386 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)Cc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000537979654 1040949977 /nfs/dbraw/zinc/94/99/77/1040949977.db2.gz PDQIVSAVYYVTHV-AUUYWEPGSA-N 1 0 328.412 4.275 20 5 EIBDRO CC[C@H]([NH2+]C[C@H](C)Oc1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000483656475 1040952079 /nfs/dbraw/zinc/95/20/79/1040952079.db2.gz QUFBJNLPODXPHM-LIRRHRJNSA-N 1 0 344.411 4.112 20 5 EIBDRO COc1cccc(OCCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000537985278 1040962385 /nfs/dbraw/zinc/96/23/85/1040962385.db2.gz YJLVRUOOSJMWCH-OAHLLOKOSA-N 1 0 344.411 4.032 20 5 EIBDRO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000483700411 1040968592 /nfs/dbraw/zinc/96/85/92/1040968592.db2.gz OTOKISHBZHRVCS-YSSFQJQWSA-N 1 0 340.423 4.474 20 5 EIBDRO CC(C)[C@@H](O)CC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483727519 1040996683 /nfs/dbraw/zinc/99/66/83/1040996683.db2.gz OJQSKQRTYBSZGB-CJNGLKHVSA-N 1 0 348.468 4.381 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000554366917 1041044455 /nfs/dbraw/zinc/04/44/55/1041044455.db2.gz OBYRGDIOKNSYMS-UHFFFAOYSA-N 1 0 328.387 4.189 20 5 EIBDRO CC[NH+](CC)Cc1ccc(CNc2cc(OC)ccc2[N+](=O)[O-])cc1 ZINC000462919764 1041089000 /nfs/dbraw/zinc/08/90/00/1041089000.db2.gz MXVCJQOHOMCXOX-UHFFFAOYSA-N 1 0 343.427 4.057 20 5 EIBDRO CO[C@](C)(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000462913218 1041092882 /nfs/dbraw/zinc/09/28/82/1041092882.db2.gz MDTSPEARMKNYLK-GOSISDBHSA-N 1 0 346.452 4.228 20 5 EIBDRO CO[C@](C)(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000462914995 1041096203 /nfs/dbraw/zinc/09/62/03/1041096203.db2.gz SLLXMCDXEUUGKC-GOSISDBHSA-N 1 0 346.452 4.228 20 5 EIBDRO O=[N+]([O-])c1ccc(OC2CCN(c3cc[nH+]c4ccccc43)CC2)cc1 ZINC000462938174 1041130068 /nfs/dbraw/zinc/13/00/68/1041130068.db2.gz IHYBQNSAPMIJFQ-UHFFFAOYSA-N 1 0 349.390 4.191 20 5 EIBDRO COc1cc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)ccc1C ZINC000484147516 1041138968 /nfs/dbraw/zinc/13/89/68/1041138968.db2.gz QDFDTMXFBXHZOW-OAHLLOKOSA-N 1 0 328.412 4.114 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484281301 1041185081 /nfs/dbraw/zinc/18/50/81/1041185081.db2.gz JYIRCKUYPZPPBA-XJKSGUPXSA-N 1 0 345.830 4.178 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540152375 1041202571 /nfs/dbraw/zinc/20/25/71/1041202571.db2.gz ZPOPYTQUEMSOHH-YSSFQJQWSA-N 1 0 342.439 4.018 20 5 EIBDRO COC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccc(F)cc1 ZINC000540185413 1041252396 /nfs/dbraw/zinc/25/23/96/1041252396.db2.gz MFCBZLASRDQRIG-UGSOOPFHSA-N 1 0 332.375 4.081 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc(Cl)s1)C1CC1 ZINC000540193664 1041268694 /nfs/dbraw/zinc/26/86/94/1041268694.db2.gz BWJMVAISLBQTKD-CQSZACIVSA-N 1 0 336.844 4.421 20 5 EIBDRO CCCCn1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c(C)n1 ZINC000540318956 1041366533 /nfs/dbraw/zinc/36/65/33/1041366533.db2.gz WQGSBCYSVDSYRK-HNNXBMFYSA-N 1 0 330.432 4.059 20 5 EIBDRO Cc1ccc(C(=O)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000480580691 1041408995 /nfs/dbraw/zinc/40/89/95/1041408995.db2.gz QLGYZJCTWQFTIK-UHFFFAOYSA-N 1 0 338.407 4.141 20 5 EIBDRO CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000538581199 1041432463 /nfs/dbraw/zinc/43/24/63/1041432463.db2.gz KJULLAAIIBAZFN-OTWHNJEPSA-N 1 0 346.471 4.099 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCCc2c(Cl)ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000924797779 1041445774 /nfs/dbraw/zinc/44/57/74/1041445774.db2.gz IBQAIPPCXILXET-BDJLRTHQSA-N 1 0 331.803 4.371 20 5 EIBDRO C[C@@H](C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000480659625 1041458219 /nfs/dbraw/zinc/45/82/19/1041458219.db2.gz NIHQGUBWPACUFB-LRDDRELGSA-N 1 0 338.329 4.472 20 5 EIBDRO CC(C)c1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000538720825 1041492956 /nfs/dbraw/zinc/49/29/56/1041492956.db2.gz XZDMDNLDTHRVCG-SFHVURJKSA-N 1 0 345.487 4.169 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000554947371 1041506324 /nfs/dbraw/zinc/50/63/24/1041506324.db2.gz ZENVQQQLCFXIIU-QRWLVFNGSA-N 1 0 338.407 4.126 20 5 EIBDRO CCCO[C@@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470176549 1041546935 /nfs/dbraw/zinc/54/69/35/1041546935.db2.gz XIYHTRCSIJPBNL-XCTGESOMSA-N 1 0 332.444 4.279 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3(CCO)CCCCC3)o2)cc1 ZINC000540610560 1041562702 /nfs/dbraw/zinc/56/27/02/1041562702.db2.gz VKJHCSABMYVYHR-UHFFFAOYSA-N 1 0 344.411 4.030 20 5 EIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000505923570 1041593852 /nfs/dbraw/zinc/59/38/52/1041593852.db2.gz VWWHWRVJWROTPJ-OAHLLOKOSA-N 1 0 332.350 4.080 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000539021270 1041610884 /nfs/dbraw/zinc/61/08/84/1041610884.db2.gz YMFPQLHOFQPZGN-KGLIPLIRSA-N 1 0 344.411 4.414 20 5 EIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc2ccc(F)cc2s1 ZINC000516603087 1041662704 /nfs/dbraw/zinc/66/27/04/1041662704.db2.gz MOAXHLDXEQKKAC-UHFFFAOYSA-N 1 0 345.399 4.018 20 5 EIBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000460346858 1041788854 /nfs/dbraw/zinc/78/88/54/1041788854.db2.gz LJBWZNQTVCKQNH-CZUORRHYSA-N 1 0 344.415 4.093 20 5 EIBDRO COc1cc(C[NH2+][C@@H](C)c2c(C)cccc2C)c([N+](=O)[O-])cc1F ZINC000464496631 1042049250 /nfs/dbraw/zinc/04/92/50/1042049250.db2.gz VTCFRMQGZWYNMR-ZDUSSCGKSA-N 1 0 332.375 4.210 20 5 EIBDRO CCC[N@H+](CCc1cccs1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000464590160 1042079464 /nfs/dbraw/zinc/07/94/64/1042079464.db2.gz FIOUKEFIYPAVIN-UHFFFAOYSA-N 1 0 334.441 4.120 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CCCc3c(Cl)cccc32)cc1[N+](=O)[O-] ZINC000541743383 1042092476 /nfs/dbraw/zinc/09/24/76/1042092476.db2.gz NOXSGKKUTOJCKI-INIZCTEOSA-N 1 0 346.814 4.424 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000541756566 1042094163 /nfs/dbraw/zinc/09/41/63/1042094163.db2.gz OXXMNQWXGHSBCE-JSGCOSHPSA-N 1 0 330.350 4.362 20 5 EIBDRO CC(C)c1ccc(C[N@@H+]2CCC3(CCOCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000517628618 1042115814 /nfs/dbraw/zinc/11/58/14/1042115814.db2.gz ITMKWAVWCNETCM-OAHLLOKOSA-N 1 0 332.444 4.109 20 5 EIBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000464731290 1042135997 /nfs/dbraw/zinc/13/59/97/1042135997.db2.gz GXRHDSPFUVMPHE-CZUORRHYSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000090217390 1042183971 /nfs/dbraw/zinc/18/39/71/1042183971.db2.gz UYOXOCMREOKYSK-GJZGRUSLSA-N 1 0 327.428 4.381 20 5 EIBDRO CCC[C@]1(C)CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000464841019 1042191586 /nfs/dbraw/zinc/19/15/86/1042191586.db2.gz VYOWIJYCRVPFQE-GOSISDBHSA-N 1 0 344.415 4.047 20 5 EIBDRO C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC000464850630 1042197492 /nfs/dbraw/zinc/19/74/92/1042197492.db2.gz IMVDIPQBGWXDER-RHSMWYFYSA-N 1 0 330.384 4.040 20 5 EIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000542320320 1042386962 /nfs/dbraw/zinc/38/69/62/1042386962.db2.gz GBCBAMHJYRXUEL-TZMCWYRMSA-N 1 0 344.415 4.074 20 5 EIBDRO CCC[N@H+](C)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000506442614 1042424946 /nfs/dbraw/zinc/42/49/46/1042424946.db2.gz HCUUMIWNVGBLQO-UHFFFAOYSA-N 1 0 344.411 4.024 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2OCCc3sccc32)cc1[N+](=O)[O-] ZINC000426311574 1042546136 /nfs/dbraw/zinc/54/61/36/1042546136.db2.gz QKJJJSACAFCURA-JCGVRSQUSA-N 1 0 346.452 4.318 20 5 EIBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCS1 ZINC000426379225 1042615948 /nfs/dbraw/zinc/61/59/48/1042615948.db2.gz IUUPBQOOPOOQIN-ZDUSSCGKSA-N 1 0 332.425 4.182 20 5 EIBDRO CCOc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000492418189 1042640983 /nfs/dbraw/zinc/64/09/83/1042640983.db2.gz RLGZLXYPMARSMC-UHFFFAOYSA-N 1 0 344.411 4.027 20 5 EIBDRO CC[NH+](CC)CCC[C@H](C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000326096317 1042702948 /nfs/dbraw/zinc/70/29/48/1042702948.db2.gz BQEYITAOMHOHEY-AWEZNQCLSA-N 1 0 330.432 4.065 20 5 EIBDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C2 ZINC000518838620 1042717726 /nfs/dbraw/zinc/71/77/26/1042717726.db2.gz XFMXODPEAMNMRZ-UHFFFAOYSA-N 1 0 332.444 4.109 20 5 EIBDRO CC(C)C[C@H](CNc1ncccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC000518927281 1042760226 /nfs/dbraw/zinc/76/02/26/1042760226.db2.gz DORPAKIEZNGYHK-DOTOQJQBSA-N 1 0 342.443 4.167 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000441491058 1042840631 /nfs/dbraw/zinc/84/06/31/1042840631.db2.gz MRZCYMVVHIRTCB-MSOLQXFVSA-N 1 0 345.487 4.244 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CC2CCSCC2)c2ccccc2)c1 ZINC000493204033 1042842861 /nfs/dbraw/zinc/84/28/61/1042842861.db2.gz KAQRBDZXSXVNCC-LJQANCHMSA-N 1 0 342.464 4.417 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccc(O)c2)CC2CC2)cc1Cl ZINC000761505037 1042873995 /nfs/dbraw/zinc/87/39/95/1042873995.db2.gz CXGPTWKFBPTERY-UHFFFAOYSA-N 1 0 346.814 4.366 20 5 EIBDRO COc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000129578302 1042933311 /nfs/dbraw/zinc/93/33/11/1042933311.db2.gz HINIODKASGCITB-LSDHHAIUSA-N 1 0 344.411 4.030 20 5 EIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC000493634705 1042940974 /nfs/dbraw/zinc/94/09/74/1042940974.db2.gz KFPGPJXQWISWAT-JKSUJKDBSA-N 1 0 347.459 4.036 20 5 EIBDRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000611554144 1043047487 /nfs/dbraw/zinc/04/74/87/1043047487.db2.gz GDKVGHJYGUSMTG-OLZOCXBDSA-N 1 0 346.349 4.027 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1C[C@@H](C)O[C@@H](C)C1 ZINC000554936821 1043056870 /nfs/dbraw/zinc/05/68/70/1043056870.db2.gz ANCPHIJRDAWOPM-AQLWNSFNSA-N 1 0 332.444 4.181 20 5 EIBDRO Cc1c([C@H](C)[NH2+]CCc2c[nH]c3ccc(F)cc23)cccc1[N+](=O)[O-] ZINC000346052222 1043123040 /nfs/dbraw/zinc/12/30/40/1043123040.db2.gz UWZZIPALPUREPT-ZDUSSCGKSA-N 1 0 341.386 4.417 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C1CCC(F)(F)CC1 ZINC000602578822 1043152488 /nfs/dbraw/zinc/15/24/88/1043152488.db2.gz HIKIYJYVOVOXAR-UHFFFAOYSA-N 1 0 338.276 4.281 20 5 EIBDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000507905942 1043192160 /nfs/dbraw/zinc/19/21/60/1043192160.db2.gz UWJGIXGGAXFYGM-JSGCOSHPSA-N 1 0 330.359 4.272 20 5 EIBDRO C[C@@H](C1CC1)[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000507995644 1043230028 /nfs/dbraw/zinc/23/00/28/1043230028.db2.gz VHPCMPJBEJBQLX-LBPRGKRZSA-N 1 0 343.452 4.481 20 5 EIBDRO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301769489 1043354390 /nfs/dbraw/zinc/35/43/90/1043354390.db2.gz INTCUQBYEXMJKZ-CZUORRHYSA-N 1 0 349.862 4.010 20 5 EIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCc1ccccc1 ZINC000609193273 1043442888 /nfs/dbraw/zinc/44/28/88/1043442888.db2.gz XLPSTOAWHWCSQW-UHFFFAOYSA-N 1 0 328.412 4.057 20 5 EIBDRO C[C@H](CCC(F)(F)F)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494520978 1043548427 /nfs/dbraw/zinc/54/84/27/1043548427.db2.gz CIGPOOWAAQMEAL-MRVPVSSYSA-N 1 0 344.255 4.434 20 5 EIBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000521150199 1043590080 /nfs/dbraw/zinc/59/00/80/1043590080.db2.gz NEFQKAWZYURGKK-LBPRGKRZSA-N 1 0 345.365 4.146 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3ccc(F)cc3)o2)cc1 ZINC000521332715 1043718730 /nfs/dbraw/zinc/71/87/30/1043718730.db2.gz NQLBGDQNTWRMOU-UHFFFAOYSA-N 1 0 340.354 4.326 20 5 EIBDRO CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000731355541 1043739572 /nfs/dbraw/zinc/73/95/72/1043739572.db2.gz FENVKUZZYQPOQI-AWEZNQCLSA-N 1 0 346.402 4.196 20 5 EIBDRO COCCC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000442779648 1043831835 /nfs/dbraw/zinc/83/18/35/1043831835.db2.gz MJZSFSPURMBWOS-IBGZPJMESA-N 1 0 346.402 4.034 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1ccc3[nH]ccc3c1)CCC2 ZINC000442820750 1043856048 /nfs/dbraw/zinc/85/60/48/1043856048.db2.gz LFBCPLYIKAZDIC-FQEVSTJZSA-N 1 0 335.407 4.286 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000443063998 1043984203 /nfs/dbraw/zinc/98/42/03/1043984203.db2.gz OEECRIZTKOKICL-NVNXTCNLSA-N 1 0 340.427 4.044 20 5 EIBDRO CC1(c2ccccc2)CC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000733326770 1044190683 /nfs/dbraw/zinc/19/06/83/1044190683.db2.gz ZETFIVRCIKMTNG-UHFFFAOYSA-N 1 0 330.815 4.458 20 5 EIBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000494789336 1044259252 /nfs/dbraw/zinc/25/92/52/1044259252.db2.gz ADRAERFHBWSGAN-KBXCAEBGSA-N 1 0 346.814 4.116 20 5 EIBDRO C[C@H](O)CC(C)(C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000174465625 1044275433 /nfs/dbraw/zinc/27/54/33/1044275433.db2.gz OBIPVCJAQPPMRN-ZDUSSCGKSA-N 1 0 348.468 4.210 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)[C@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000246373201 1044299258 /nfs/dbraw/zinc/29/92/58/1044299258.db2.gz JLDFJXQDWVNYGZ-GRDNDAEWSA-N 1 0 326.396 4.119 20 5 EIBDRO C[C@H]([NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000246407836 1044303609 /nfs/dbraw/zinc/30/36/09/1044303609.db2.gz MEYGECRHCIFTTP-RZQQEMMASA-N 1 0 340.423 4.413 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1CNc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000466415081 1044425438 /nfs/dbraw/zinc/42/54/38/1044425438.db2.gz DRZUVROYVXTEOI-UHFFFAOYSA-N 1 0 333.819 4.230 20 5 EIBDRO Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000766210354 1044551294 /nfs/dbraw/zinc/55/12/94/1044551294.db2.gz DZYPVGYTBYLRQR-FUHWJXTLSA-N 1 0 339.439 4.223 20 5 EIBDRO Cc1ccc(N2CCC[C@H]([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000766210353 1044551371 /nfs/dbraw/zinc/55/13/71/1044551371.db2.gz DZYPVGYTBYLRQR-AEFFLSMTSA-N 1 0 339.439 4.223 20 5 EIBDRO CC(C)c1ccc(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000466465621 1044552022 /nfs/dbraw/zinc/55/20/22/1044552022.db2.gz NNLWXPAOXMYRDH-RBUKOAKNSA-N 1 0 332.444 4.013 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]CCCNc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000543415856 1044565632 /nfs/dbraw/zinc/56/56/32/1044565632.db2.gz DPEXUHRKJVEGRE-CQSZACIVSA-N 1 0 331.391 4.195 20 5 EIBDRO CC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000543486605 1044704387 /nfs/dbraw/zinc/70/43/87/1044704387.db2.gz VPHMDCHOAQEAGV-LLVKDONJSA-N 1 0 340.832 4.429 20 5 EIBDRO Cc1nc(C)c([C@H](C)[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])s1 ZINC000093274877 1044827878 /nfs/dbraw/zinc/82/78/78/1044827878.db2.gz LGNGVWOBHYHUGD-XOVSCCBYSA-N 1 0 331.441 4.374 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H](c3ccccn3)C3CC3)o2)c1 ZINC000922586991 1044832356 /nfs/dbraw/zinc/83/23/56/1044832356.db2.gz UZSRGSDJZZNSJL-HXUWFJFHSA-N 1 0 349.390 4.491 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000555226462 1044834084 /nfs/dbraw/zinc/83/40/84/1044834084.db2.gz WBEVLIUGSWDTQT-NXOAAHMSSA-N 1 0 334.460 4.099 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CCCCO2)CC1 ZINC000895653689 1044838642 /nfs/dbraw/zinc/83/86/42/1044838642.db2.gz LTHOMUSHODZCPS-SSZFMOIBSA-N 1 0 330.428 4.033 20 5 EIBDRO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000154972117 1044852881 /nfs/dbraw/zinc/85/28/81/1044852881.db2.gz QDGCQOISVMWAJQ-YOEHRIQHSA-N 1 0 345.468 4.144 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]CCCOCc2ccccc2)cc1[N+](=O)[O-] ZINC000390256743 1044865655 /nfs/dbraw/zinc/86/56/55/1044865655.db2.gz XAOYTWYBVWYRDF-INIZCTEOSA-N 1 0 328.412 4.161 20 5 EIBDRO C[C@@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCS1 ZINC000922835065 1044981066 /nfs/dbraw/zinc/98/10/66/1044981066.db2.gz CIEFUUHBEQQLQV-DGCLKSJQSA-N 1 0 349.481 4.092 20 5 EIBDRO CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000156003178 1044989642 /nfs/dbraw/zinc/98/96/42/1044989642.db2.gz YNOUAYRFFWZBIO-SQNIBIBYSA-N 1 0 328.416 4.016 20 5 EIBDRO CC(C)Oc1ccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000391997803 1045004229 /nfs/dbraw/zinc/00/42/29/1045004229.db2.gz KPRWKXYIXJEXAO-HNNXBMFYSA-N 1 0 328.412 4.275 20 5 EIBDRO COCC[C@H]1CCCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470208341 1045063035 /nfs/dbraw/zinc/06/30/35/1045063035.db2.gz RLOCHBVYXWLCMQ-NWNNTGRJSA-N 1 0 332.444 4.137 20 5 EIBDRO COc1ccccc1[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000495421784 1045091340 /nfs/dbraw/zinc/09/13/40/1045091340.db2.gz VKFDRASGJUBTNP-GFCCVEGCSA-N 1 0 334.803 4.150 20 5 EIBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCCc1cccc3ccccc31)CC2 ZINC000495465411 1045143898 /nfs/dbraw/zinc/14/38/98/1045143898.db2.gz NPXPZFYNBPWGGF-UHFFFAOYSA-N 1 0 347.418 4.134 20 5 EIBDRO CCCO[C@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000302067008 1045158729 /nfs/dbraw/zinc/15/87/29/1045158729.db2.gz BANYOLJGWYIALN-INIZCTEOSA-N 1 0 343.427 4.237 20 5 EIBDRO Cc1cc(N2CCC(c3ccncc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302795589 1045198493 /nfs/dbraw/zinc/19/84/93/1045198493.db2.gz OVYFVJCDMFTIDM-UHFFFAOYSA-N 1 0 348.406 4.230 20 5 EIBDRO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000611081093 1045250356 /nfs/dbraw/zinc/25/03/56/1045250356.db2.gz NQTPDBUAGJISAX-SZVBFZGTSA-N 1 0 339.439 4.094 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]C2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000132756283 1045259386 /nfs/dbraw/zinc/25/93/86/1045259386.db2.gz WDBLNKZDVZEEGH-INIZCTEOSA-N 1 0 339.439 4.223 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2nccc3ccccc32)C2CC2)cc1 ZINC000611254754 1045267365 /nfs/dbraw/zinc/26/73/65/1045267365.db2.gz IMTYDBNDTUVHBQ-UHFFFAOYSA-N 1 0 333.391 4.308 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H]3C3CC3)cs2)c1 ZINC000611268571 1045271798 /nfs/dbraw/zinc/27/17/98/1045271798.db2.gz USGAKPSLNNURTB-MRXNPFEDSA-N 1 0 329.425 4.093 20 5 EIBDRO CCC[C@H]([NH2+]C[C@H]1OCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000611335781 1045280711 /nfs/dbraw/zinc/28/07/11/1045280711.db2.gz JCHOKJFTKHBXMI-VQTJNVASSA-N 1 0 340.423 4.340 20 5 EIBDRO C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000611337418 1045281506 /nfs/dbraw/zinc/28/15/06/1045281506.db2.gz BXVXGBQPWGPOLT-TZMCWYRMSA-N 1 0 346.452 4.135 20 5 EIBDRO COc1ccc(C)cc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000611335518 1045281558 /nfs/dbraw/zinc/28/15/58/1045281558.db2.gz GZIUJCSUPNUFIR-SFHVURJKSA-N 1 0 340.423 4.023 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000611477458 1045316255 /nfs/dbraw/zinc/31/62/55/1045316255.db2.gz NQAFIAGVGMJXCJ-IIAWOOMASA-N 1 0 338.473 4.013 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c(C)n1 ZINC000611522016 1045320219 /nfs/dbraw/zinc/32/02/19/1045320219.db2.gz FFTVCBCAVWQGOV-LBPRGKRZSA-N 1 0 333.819 4.153 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1cccc([N+](=O)[O-])c1 ZINC000193901239 1045540436 /nfs/dbraw/zinc/54/04/36/1045540436.db2.gz KHUBLVLFPMAGAD-KGLIPLIRSA-N 1 0 342.395 4.168 20 5 EIBDRO Cc1c(C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)cccc1[N+](=O)[O-] ZINC000790696492 1045559578 /nfs/dbraw/zinc/55/95/78/1045559578.db2.gz SVCDHOYWPCPGPX-INIZCTEOSA-N 1 0 344.386 4.434 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(C)cc(OC)c2)cc1[N+](=O)[O-] ZINC000090723828 1045708850 /nfs/dbraw/zinc/70/88/50/1045708850.db2.gz CEEGVLJWIGKILT-CQSZACIVSA-N 1 0 344.411 4.161 20 5 EIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+]([C@@H]3CCc4ccccc43)CC2)cc1 ZINC000614962388 1045968554 /nfs/dbraw/zinc/96/85/54/1045968554.db2.gz AFRQRECIDLQFCJ-HXUWFJFHSA-N 1 0 338.407 4.126 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC001170297402 1045983008 /nfs/dbraw/zinc/98/30/08/1045983008.db2.gz NRVXZSGEFJUXLO-JTQLQIEISA-N 1 0 340.832 4.039 20 5 EIBDRO C[C@@H]1CCC[C@@](CNc2ccc([N+](=O)[O-])c3cnccc23)([NH+](C)C)C1 ZINC000326532381 1045983083 /nfs/dbraw/zinc/98/30/83/1045983083.db2.gz WWRWPPZAULVEMG-AUUYWEPGSA-N 1 0 342.443 4.065 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]C2CC(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170305604 1045984937 /nfs/dbraw/zinc/98/49/37/1045984937.db2.gz NTALJNJQVIUTPR-RWBZWWBESA-N 1 0 340.423 4.070 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(C3CC3)c2)c([N+](=O)[O-])c1 ZINC001170317909 1045997459 /nfs/dbraw/zinc/99/74/59/1045997459.db2.gz MBBSZGBQZKRXKS-CQSZACIVSA-N 1 0 340.423 4.202 20 5 EIBDRO COc1ccc(C[C@@H](C)[N@H+](C)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC001170355582 1046010744 /nfs/dbraw/zinc/01/07/44/1046010744.db2.gz KVTFLXKAVYOARK-AUUYWEPGSA-N 1 0 340.423 4.154 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CC2CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000792876695 1046091364 /nfs/dbraw/zinc/09/13/64/1046091364.db2.gz PCDRXTFWMISOFF-QGZVFWFLSA-N 1 0 341.367 4.134 20 5 EIBDRO C[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@]2(CCOC2)O1 ZINC000793362878 1046215956 /nfs/dbraw/zinc/21/59/56/1046215956.db2.gz OYVDDAGPTQSERQ-SBUREZEXSA-N 1 0 347.458 4.373 20 5 EIBDRO Cc1ccc(C2=CC[N@H+](CCOc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000916995595 1046545007 /nfs/dbraw/zinc/54/50/07/1046545007.db2.gz OCLCTKJFOFCTSX-UHFFFAOYSA-N 1 0 338.407 4.071 20 5 EIBDRO CO[C@H](C)C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC000536659827 1046626867 /nfs/dbraw/zinc/62/68/67/1046626867.db2.gz IIOUWUGZTITKPO-CQSZACIVSA-N 1 0 332.400 4.100 20 5 EIBDRO C[C@@H](CCO)[N@H+](Cc1ccccc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000772387377 1046630526 /nfs/dbraw/zinc/63/05/26/1046630526.db2.gz HRYQWKCSNPFPJW-AWEZNQCLSA-N 1 0 348.830 4.021 20 5 EIBDRO CO[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000536874681 1046837938 /nfs/dbraw/zinc/83/79/38/1046837938.db2.gz FHFSZCVPACQBNG-YVEFUNNKSA-N 1 0 334.803 4.287 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000786819939 1046875541 /nfs/dbraw/zinc/87/55/41/1046875541.db2.gz GAGMNGLTCCVYKR-ONOODXEBSA-N 1 0 343.452 4.430 20 5 EIBDRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000459786399 1046889807 /nfs/dbraw/zinc/88/98/07/1046889807.db2.gz LFTFCHPMECDRTO-LBPRGKRZSA-N 1 0 334.803 4.498 20 5 EIBDRO Cc1nc(-c2ccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)cc2)cs1 ZINC000537295824 1047078287 /nfs/dbraw/zinc/07/82/87/1047078287.db2.gz RFJZYLPVORDFMI-UHFFFAOYSA-N 1 0 339.420 4.317 20 5 EIBDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001170084550 1047184474 /nfs/dbraw/zinc/18/44/74/1047184474.db2.gz BWZIUQKAQXUIBP-KXBFYZLASA-N 1 0 326.396 4.057 20 5 EIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](C)c1cccc(OC)c1 ZINC000788478403 1047197897 /nfs/dbraw/zinc/19/78/97/1047197897.db2.gz JSAWKQRFNISUQJ-CYBMUJFWSA-N 1 0 332.375 4.326 20 5 EIBDRO CC(C)COc1ccccc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788563170 1047226177 /nfs/dbraw/zinc/22/61/77/1047226177.db2.gz OEQVZFVJQCWSMD-CQSZACIVSA-N 1 0 343.427 4.063 20 5 EIBDRO CC[C@@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1cccc([N+](=O)[O-])c1 ZINC000537448771 1047230082 /nfs/dbraw/zinc/23/00/82/1047230082.db2.gz FLUKVDDQSWYOFN-MRXNPFEDSA-N 1 0 340.379 4.054 20 5 EIBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)c1ccccc1 ZINC000788535091 1047231651 /nfs/dbraw/zinc/23/16/51/1047231651.db2.gz CDPOMXUZQLMFBL-MSOLQXFVSA-N 1 0 348.830 4.096 20 5 EIBDRO CC(C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](O)c1ccccc1 ZINC000788535808 1047231947 /nfs/dbraw/zinc/23/19/47/1047231947.db2.gz MRSXJCOQAPIBLG-QZTJIDSGSA-N 1 0 348.830 4.096 20 5 EIBDRO CC1(C)C[C@H]([NH2+]CCNc2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000788583593 1047239096 /nfs/dbraw/zinc/23/90/96/1047239096.db2.gz AWAOOJFKPIYJRZ-SFHVURJKSA-N 1 0 325.412 4.019 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788602808 1047243598 /nfs/dbraw/zinc/24/35/98/1047243598.db2.gz OHQBPJHWLDXGSS-ZJUUUORDSA-N 1 0 337.782 4.381 20 5 EIBDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000788621159 1047252804 /nfs/dbraw/zinc/25/28/04/1047252804.db2.gz KWXOCCHCVUZKFO-KYNGSXCRSA-N 1 0 328.412 4.004 20 5 EIBDRO CC(C)c1ccccc1OCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788638944 1047257881 /nfs/dbraw/zinc/25/78/81/1047257881.db2.gz KKCPIVSDCFPMFM-AWEZNQCLSA-N 1 0 343.427 4.030 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788800294 1047307261 /nfs/dbraw/zinc/30/72/61/1047307261.db2.gz HJQLFHIWOJQUMG-YLQAJVPDSA-N 1 0 343.402 4.303 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@@H](c2ccncc2)C2CC2)cc1[N+](=O)[O-] ZINC000898324815 1047618019 /nfs/dbraw/zinc/61/80/19/1047618019.db2.gz KIZYARPANOWIPW-LJQANCHMSA-N 1 0 325.412 4.354 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000089512289 1047786301 /nfs/dbraw/zinc/78/63/01/1047786301.db2.gz FFLWPADVVJNTPT-HNNXBMFYSA-N 1 0 336.338 4.437 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852850 1047881324 /nfs/dbraw/zinc/88/13/24/1047881324.db2.gz HCIOONDONFYMFB-MSOLQXFVSA-N 1 0 345.487 4.100 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000824773345 1047927114 /nfs/dbraw/zinc/92/71/14/1047927114.db2.gz KEFKJKCLDWTTPN-BXUZGUMPSA-N 1 0 331.243 4.089 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H]2CCCN(Cc3ccnc(Cl)c3F)C2)cc1 ZINC000824820783 1047956433 /nfs/dbraw/zinc/95/64/33/1047956433.db2.gz MTAPORNWNDPFQD-ZDUSSCGKSA-N 1 0 349.793 4.162 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000815085468 1048327872 /nfs/dbraw/zinc/32/78/72/1048327872.db2.gz XNKKVUDSVLKWQM-SUMWQHHRSA-N 1 0 340.379 4.034 20 5 EIBDRO OC[C@H]1C[NH2+]C[C@@H]1Nc1c2ccccc2cc2c3ccccc3ccc21 ZINC001170785630 1048468108 /nfs/dbraw/zinc/46/81/08/1048468108.db2.gz YGTNMXXUCWSQHF-VGSWGCGISA-N 1 0 342.442 4.138 20 5 EIBDRO C[C@H]([NH2+]Cc1cccc(-c2ccccn2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815598542 1048529501 /nfs/dbraw/zinc/52/95/01/1048529501.db2.gz XQGCVIUAHXWGNU-AWEZNQCLSA-N 1 0 348.406 4.090 20 5 EIBDRO CC[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000815632226 1048556462 /nfs/dbraw/zinc/55/64/62/1048556462.db2.gz HFZCOJCLQBQZAV-WKILWMFISA-N 1 0 331.460 4.122 20 5 EIBDRO C[C@@H]([NH2+][C@@H](CC1CC1)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815605951 1048558447 /nfs/dbraw/zinc/55/84/47/1048558447.db2.gz JTADIIYWIITTQO-ACJLOTCBSA-N 1 0 325.412 4.369 20 5 EIBDRO CSCC[C@H](C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809962455 1048571935 /nfs/dbraw/zinc/57/19/35/1048571935.db2.gz OIGQQJGVDPULJG-VIFPVBQESA-N 1 0 337.272 4.475 20 5 EIBDRO CC(C)CO[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809953098 1048579524 /nfs/dbraw/zinc/57/95/24/1048579524.db2.gz ITQZXEFVTRHPBI-CYBMUJFWSA-N 1 0 347.242 4.149 20 5 EIBDRO Cc1csc([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000195322576 1048657987 /nfs/dbraw/zinc/65/79/87/1048657987.db2.gz NRWMSXSGFHQYJT-OAHLLOKOSA-N 1 0 331.441 4.048 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@]2(C)C[C@]2(F)Cl)cc1[N+](=O)[O-] ZINC000846186296 1048838041 /nfs/dbraw/zinc/83/80/41/1048838041.db2.gz WFYJIQALIWSYMN-IUIKQTSFSA-N 1 0 344.814 4.349 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)cc1Cl ZINC000816624746 1048839478 /nfs/dbraw/zinc/83/94/78/1048839478.db2.gz GMOIOUVILKMFBA-CTYIDZIISA-N 1 0 334.778 4.423 20 5 EIBDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000811486765 1049081735 /nfs/dbraw/zinc/08/17/35/1049081735.db2.gz QAQOLSVLYZPXPN-JSGCOSHPSA-N 1 0 347.242 4.195 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000811501780 1049116298 /nfs/dbraw/zinc/11/62/98/1049116298.db2.gz XESMBODCGPPIJT-QMMMGPOBSA-N 1 0 339.169 4.427 20 5 EIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000609541331 1049142765 /nfs/dbraw/zinc/14/27/65/1049142765.db2.gz IMTMFTVSEQEBNS-HNNXBMFYSA-N 1 0 346.814 4.117 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000609541479 1049144794 /nfs/dbraw/zinc/14/47/94/1049144794.db2.gz ROZAYOZJKCKYCO-AWEZNQCLSA-N 1 0 346.814 4.246 20 5 EIBDRO O=[N+]([O-])c1ccc(Sc2ccc(NC[C@@H]3CCCC[NH2+]3)cc2)cc1 ZINC001171334017 1049330128 /nfs/dbraw/zinc/33/01/28/1049330128.db2.gz JIYYXOPQPWKJAM-HNNXBMFYSA-N 1 0 343.452 4.300 20 5 EIBDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000609846421 1049354995 /nfs/dbraw/zinc/35/49/95/1049354995.db2.gz BYCPZTAHEAYHHP-FQEVSTJZSA-N 1 0 339.439 4.040 20 5 EIBDRO Cc1ccc(C)c(OC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000064631945 1049379004 /nfs/dbraw/zinc/37/90/04/1049379004.db2.gz HOOPDHPEEOPXQO-UHFFFAOYSA-N 1 0 340.423 4.255 20 5 EIBDRO CC[NH+](CC)Cc1ccc(CNc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000609890607 1049383113 /nfs/dbraw/zinc/38/31/13/1049383113.db2.gz FKEGEVOMWBAZBS-UHFFFAOYSA-N 1 0 348.834 4.097 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000610009933 1049480266 /nfs/dbraw/zinc/48/02/66/1049480266.db2.gz GCEGEXBHPDIHPQ-MSOLQXFVSA-N 1 0 340.423 4.104 20 5 EIBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000610091401 1049533842 /nfs/dbraw/zinc/53/38/42/1049533842.db2.gz QJKSUWDVIURUTR-XJKSGUPXSA-N 1 0 344.415 4.045 20 5 EIBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cccc(OC)c1 ZINC000773036152 1049542441 /nfs/dbraw/zinc/54/24/41/1049542441.db2.gz MYLCQUNTTZTYEM-KRWDZBQOSA-N 1 0 334.803 4.498 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000773095931 1049580466 /nfs/dbraw/zinc/58/04/66/1049580466.db2.gz VLHRHFOPHLWRKR-DNVCBOLYSA-N 1 0 340.423 4.068 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccc(F)cc1F ZINC000615723981 1049766776 /nfs/dbraw/zinc/76/67/76/1049766776.db2.gz CZXRAGMXXCERJN-LCYFTJDESA-N 1 0 332.350 4.109 20 5 EIBDRO CCOc1cc(C[NH2+]C2(c3ccc(F)cc3)CCC2)ccc1[N+](=O)[O-] ZINC000617212575 1049967515 /nfs/dbraw/zinc/96/75/15/1049967515.db2.gz OUFLUZMSLFQIAO-UHFFFAOYSA-N 1 0 344.386 4.302 20 5 EIBDRO C[C@H]1CCC[C@@H]([N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000170909078 1050105794 /nfs/dbraw/zinc/10/57/94/1050105794.db2.gz XVUNWWJJTOHDPM-GOEBONIOSA-N 1 0 343.427 4.303 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCCc2ccccc21 ZINC001177181098 1050164487 /nfs/dbraw/zinc/16/44/87/1050164487.db2.gz WSBJVXUQDFLBTA-INIZCTEOSA-N 1 0 340.423 4.203 20 5 EIBDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172898077 1050203994 /nfs/dbraw/zinc/20/39/94/1050203994.db2.gz GCWDQFWHMADGFI-RDTXWAMCSA-N 1 0 340.423 4.202 20 5 EIBDRO COc1ccccc1[C@H](C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900478 1050204592 /nfs/dbraw/zinc/20/45/92/1050204592.db2.gz UDJYDYBWOTWSTG-YOEHRIQHSA-N 1 0 340.423 4.202 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cc(F)ccc1F ZINC001172902647 1050205014 /nfs/dbraw/zinc/20/50/14/1050205014.db2.gz AZVSSBPRDPMHSB-LRDDRELGSA-N 1 0 346.377 4.471 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1csc(Cl)c1)CC2 ZINC001172904272 1050205755 /nfs/dbraw/zinc/20/57/55/1050205755.db2.gz WCSHZBDGUVZQIH-CQSZACIVSA-N 1 0 336.844 4.347 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC3(CC[C@H](F)C3)CC1)CC2 ZINC001172919122 1050234399 /nfs/dbraw/zinc/23/43/99/1050234399.db2.gz DPFJLFJYZBEONL-ROUUACIJSA-N 1 0 346.446 4.446 20 5 EIBDRO C[N@H+](Cc1ccc(Cl)nc1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922640 1050236624 /nfs/dbraw/zinc/23/66/24/1050236624.db2.gz ZUCYICHDLMFGGO-INIZCTEOSA-N 1 0 345.830 4.023 20 5 EIBDRO Cc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC001177519914 1050237090 /nfs/dbraw/zinc/23/70/90/1050237090.db2.gz RSVFBOJTPJBJEA-OALUTQOASA-N 1 0 344.386 4.052 20 5 EIBDRO C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1(F)F ZINC001172909693 1050245476 /nfs/dbraw/zinc/24/54/76/1050245476.db2.gz UXVIGGXOISIIPS-CZUORRHYSA-N 1 0 338.398 4.209 20 5 EIBDRO Cc1cccc(CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC001177604396 1050264622 /nfs/dbraw/zinc/26/46/22/1050264622.db2.gz MKZAFLZGVATMMA-UHFFFAOYSA-N 1 0 336.391 4.496 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(-c3ccccc3)cc2)cc1 ZINC001177683368 1050275551 /nfs/dbraw/zinc/27/55/51/1050275551.db2.gz CFPCRQYHKCTMHQ-UHFFFAOYSA-N 1 0 348.402 4.430 20 5 EIBDRO COc1ccc(C[NH2+]Cc2cc(C(C)(C)C)oc2C)cc1[N+](=O)[O-] ZINC001177732758 1050289251 /nfs/dbraw/zinc/28/92/51/1050289251.db2.gz BDTPOYVOFLUSHA-UHFFFAOYSA-N 1 0 332.400 4.092 20 5 EIBDRO CC[N@H+]([C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C1CCCCC1 ZINC001173184857 1050338528 /nfs/dbraw/zinc/33/85/28/1050338528.db2.gz PDNZPQVADIISGR-CYBMUJFWSA-N 1 0 338.423 4.328 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(Cc2ccccc2F)CC1 ZINC001173223673 1050355595 /nfs/dbraw/zinc/35/55/95/1050355595.db2.gz KVAPQHVNVZTROD-HNNXBMFYSA-N 1 0 342.414 4.277 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001173227219 1050356793 /nfs/dbraw/zinc/35/67/93/1050356793.db2.gz ONRWLOUFZFGPOI-GDBMZVCRSA-N 1 0 328.387 4.154 20 5 EIBDRO COc1ccccc1[C@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173228976 1050357028 /nfs/dbraw/zinc/35/70/28/1050357028.db2.gz OWXKJYJRCFVPIA-WBVHZDCISA-N 1 0 340.423 4.024 20 5 EIBDRO Cc1ccc2c(c1)c1c(n2[C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC001173228585 1050357535 /nfs/dbraw/zinc/35/75/35/1050357535.db2.gz XWWGCGNEAKNQPD-OAHLLOKOSA-N 1 0 349.434 4.307 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001173232845 1050360732 /nfs/dbraw/zinc/36/07/32/1050360732.db2.gz GFKGYXWXROFCQO-XFQXTVEOSA-N 1 0 340.423 4.036 20 5 EIBDRO COc1ccc([C@@H](C)[N@H+](C)[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173234509 1050362318 /nfs/dbraw/zinc/36/23/18/1050362318.db2.gz RSPFFCBLXVFUCD-LSDHHAIUSA-N 1 0 328.412 4.227 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001173234121 1050363684 /nfs/dbraw/zinc/36/36/84/1050363684.db2.gz NAKVRFGJJHXGAM-VOJFVSQTSA-N 1 0 332.350 4.081 20 5 EIBDRO Cc1ccc2c(c1)c(CC[NH3+])cn2[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173209433 1050369730 /nfs/dbraw/zinc/36/97/30/1050369730.db2.gz BVBRADUVOXLRDB-HNNXBMFYSA-N 1 0 337.423 4.163 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(F)c(F)cc1Cl ZINC001173214377 1050372573 /nfs/dbraw/zinc/37/25/73/1050372573.db2.gz BFDYQEPWXAQLPO-JTQLQIEISA-N 1 0 340.757 4.247 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cc(C)nc2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC001178206095 1050402981 /nfs/dbraw/zinc/40/29/81/1050402981.db2.gz ZZCSXFRDSAUTBA-LJQANCHMSA-N 1 0 339.439 4.418 20 5 EIBDRO Cc1ccc(C[NH2+][C@H]2CCCOc3c(F)cccc32)cc1[N+](=O)[O-] ZINC001178347594 1050441415 /nfs/dbraw/zinc/44/14/15/1050441415.db2.gz ZAXOAEHSXXTCOZ-INIZCTEOSA-N 1 0 330.359 4.046 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC[C@H]3CCCCO3)o2)cc1 ZINC001178440492 1050458191 /nfs/dbraw/zinc/45/81/91/1050458191.db2.gz ONYJKGPUOREBAW-QGZVFWFLSA-N 1 0 344.411 4.294 20 5 EIBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c(C(F)F)c1 ZINC001187080850 1050478120 /nfs/dbraw/zinc/47/81/20/1050478120.db2.gz FJUCIBBXVVTVCY-GFCCVEGCSA-N 1 0 339.386 4.351 20 5 EIBDRO Cc1ncc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000618798248 1050531665 /nfs/dbraw/zinc/53/16/65/1050531665.db2.gz GJYVXWDZZIOJIX-MRVPVSSYSA-N 1 0 345.346 4.229 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]C2(c3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000182213724 1050548347 /nfs/dbraw/zinc/54/83/47/1050548347.db2.gz CANOHAKHLUNCAZ-CYBMUJFWSA-N 1 0 344.386 4.473 20 5 EIBDRO CO[C@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001179248779 1050660339 /nfs/dbraw/zinc/66/03/39/1050660339.db2.gz WOSZUENIJBASPK-ILCZHQDMSA-N 1 0 332.444 4.183 20 5 EIBDRO CS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001180071808 1050872671 /nfs/dbraw/zinc/87/26/71/1050872671.db2.gz IBFDUNNFCUQSNL-OLZOCXBDSA-N 1 0 348.390 4.330 20 5 EIBDRO CC(C)c1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000619798708 1050908519 /nfs/dbraw/zinc/90/85/19/1050908519.db2.gz ZPMHRUWYVUFJNK-MUJYYYPQSA-N 1 0 334.460 4.402 20 5 EIBDRO COCCC1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCCCC1 ZINC000775373976 1051148814 /nfs/dbraw/zinc/14/88/14/1051148814.db2.gz FSJFUZPJXQQAGT-UHFFFAOYSA-N 1 0 340.851 4.325 20 5 EIBDRO CC(C)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001190615389 1051221558 /nfs/dbraw/zinc/22/15/58/1051221558.db2.gz AKLAAKATWHKVFR-UHFFFAOYSA-N 1 0 328.412 4.132 20 5 EIBDRO CCCOc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC001181697587 1051290236 /nfs/dbraw/zinc/29/02/36/1051290236.db2.gz LJACOUONHQAMRM-UHFFFAOYSA-N 1 0 342.439 4.367 20 5 EIBDRO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000183724876 1051328955 /nfs/dbraw/zinc/32/89/55/1051328955.db2.gz HSYKIVKDHMKKCP-AWEZNQCLSA-N 1 0 337.379 4.443 20 5 EIBDRO CCc1ccc([C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000774411653 1051583630 /nfs/dbraw/zinc/58/36/30/1051583630.db2.gz QOVQMMMSAHVBSF-PMACEKPBSA-N 1 0 342.439 4.178 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774446685 1051594957 /nfs/dbraw/zinc/59/49/57/1051594957.db2.gz JSWUZRJSKSCZEJ-SECBINFHSA-N 1 0 340.210 4.335 20 5 EIBDRO CC[C@@H](Cc1ccccc1)[N@H+](CC)CCOc1cccc([N+](=O)[O-])c1 ZINC001192107416 1051633233 /nfs/dbraw/zinc/63/32/33/1051633233.db2.gz HOSLLNKQNPMITD-SFHVURJKSA-N 1 0 342.439 4.317 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC001182633985 1051654185 /nfs/dbraw/zinc/65/41/85/1051654185.db2.gz HGBBIQFLFMVFJR-FERCGXDMSA-N 1 0 330.428 4.032 20 5 EIBDRO C[NH+]1CCC(c2ccc(Nc3cc([N+](=O)[O-])ccc3F)cc2)CC1 ZINC001175737136 1051751285 /nfs/dbraw/zinc/75/12/85/1051751285.db2.gz VLMHUBRBFUWWHD-UHFFFAOYSA-N 1 0 329.375 4.287 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C(C)(C)c1ccccc1 ZINC001192603255 1051776410 /nfs/dbraw/zinc/77/64/10/1051776410.db2.gz BOXXQWVZGJVLLF-LJQANCHMSA-N 1 0 342.439 4.449 20 5 EIBDRO CC(C)[C@@H]1CCCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001192653106 1051780758 /nfs/dbraw/zinc/78/07/58/1051780758.db2.gz LNNWVEHKLNKCRH-INIZCTEOSA-N 1 0 344.415 4.045 20 5 EIBDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001192757156 1051811041 /nfs/dbraw/zinc/81/10/41/1051811041.db2.gz MODHXQDXQZSTKS-HNNXBMFYSA-N 1 0 344.411 4.112 20 5 EIBDRO Cc1cc([C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C2CC2)ccc1F ZINC001192835377 1051819446 /nfs/dbraw/zinc/81/94/46/1051819446.db2.gz YGELSOMFDQBMCL-IBGZPJMESA-N 1 0 344.386 4.162 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](CC[C@H]2CC2(Cl)Cl)C2CC2)cc1 ZINC001192928168 1051838312 /nfs/dbraw/zinc/83/83/12/1051838312.db2.gz GRWGRVQZHKOGEL-LBPRGKRZSA-N 1 0 329.227 4.143 20 5 EIBDRO CC(C)(CC1CCCCCC1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001193472572 1051929334 /nfs/dbraw/zinc/92/93/34/1051929334.db2.gz IQGBHCVHVCGUSX-GOSISDBHSA-N 1 0 334.460 4.357 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC001193499149 1051934206 /nfs/dbraw/zinc/93/42/06/1051934206.db2.gz YNDMDGZDHXLUPD-MAUKXSAKSA-N 1 0 347.459 4.036 20 5 EIBDRO C[C@@H](C[NH2+]C1CC(c2cccc(F)c2)C1)c1ccccc1[N+](=O)[O-] ZINC001184046123 1051943981 /nfs/dbraw/zinc/94/39/81/1051943981.db2.gz UPHIKQLSUIOQKS-KTAKPFMOSA-N 1 0 328.387 4.373 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@@H]1Cc1ccccc1 ZINC001184340474 1051997734 /nfs/dbraw/zinc/99/77/34/1051997734.db2.gz XAUZXFFWZGDBRL-UXPWSPDFSA-N 1 0 338.451 4.384 20 5 EIBDRO CCOc1cc(C[N@H+](CCc2ccccc2)C2CC2)ccc1[N+](=O)[O-] ZINC001176414698 1052067221 /nfs/dbraw/zinc/06/72/21/1052067221.db2.gz ZJSSAMLXAPMMLS-UHFFFAOYSA-N 1 0 340.423 4.201 20 5 EIBDRO CCC(=O)c1ccc(NCCC[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001184644471 1052067969 /nfs/dbraw/zinc/06/79/69/1052067969.db2.gz PKRYZUJEAIYKPE-UHFFFAOYSA-N 1 0 347.459 4.254 20 5 EIBDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001194106805 1052073115 /nfs/dbraw/zinc/07/31/15/1052073115.db2.gz BPJITKVDMUHTOU-SFHVURJKSA-N 1 0 328.412 4.495 20 5 EIBDRO CC[NH+](CC)[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)CC(C)C ZINC001184740978 1052099700 /nfs/dbraw/zinc/09/97/00/1052099700.db2.gz YLJBUQFMNVZXLY-ZDUSSCGKSA-N 1 0 329.391 4.041 20 5 EIBDRO Cc1cc(NCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001184839328 1052114444 /nfs/dbraw/zinc/11/44/44/1052114444.db2.gz GLWKTXWHJOJLBJ-UHFFFAOYSA-N 1 0 345.365 4.066 20 5 EIBDRO C[N@@H+](C/C=C\c1ccc(Cl)cc1)CCc1ccccc1[N+](=O)[O-] ZINC001194263279 1052120479 /nfs/dbraw/zinc/12/04/79/1052120479.db2.gz WOCCTZUZSOGYKB-PLNGDYQASA-N 1 0 330.815 4.436 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCCc3ccsc3)C2)cc1 ZINC001194478747 1052158735 /nfs/dbraw/zinc/15/87/35/1052158735.db2.gz XZWCTGVDKUKEKW-KRWDZBQOSA-N 1 0 330.453 4.469 20 5 EIBDRO Cc1ccc(NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC001185582069 1052272640 /nfs/dbraw/zinc/27/26/40/1052272640.db2.gz BBCZGTHGZGTSSE-QGZVFWFLSA-N 1 0 333.819 4.271 20 5 EIBDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000131169749 1052542694 /nfs/dbraw/zinc/54/26/94/1052542694.db2.gz XMBDNSWRQIHTBZ-CYBMUJFWSA-N 1 0 330.432 4.014 20 5 EIBDRO Cc1c(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)cccc1[N+](=O)[O-] ZINC000072795093 1052598288 /nfs/dbraw/zinc/59/82/88/1052598288.db2.gz RYNSYMHIWRXSQX-UHFFFAOYSA-N 1 0 348.362 4.294 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)c1cccc(NC(C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000090918547 1052782747 /nfs/dbraw/zinc/78/27/47/1052782747.db2.gz PAWBWCILWMMRMI-DJJJIMSYSA-N 1 0 341.411 4.355 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000090918520 1052782846 /nfs/dbraw/zinc/78/28/46/1052782846.db2.gz NZMJVYXMYVJITQ-SJCJKPOMSA-N 1 0 329.356 4.305 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000850449940 1053222131 /nfs/dbraw/zinc/22/21/31/1053222131.db2.gz ZHTXGHUCVRLIAL-KGLIPLIRSA-N 1 0 326.396 4.332 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000850449942 1053225248 /nfs/dbraw/zinc/22/52/48/1053225248.db2.gz ZHTXGHUCVRLIAL-ZIAGYGMSSA-N 1 0 326.396 4.332 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000850457598 1053234050 /nfs/dbraw/zinc/23/40/50/1053234050.db2.gz KNWHEGSELZDGDW-YGRLFVJLSA-N 1 0 347.440 4.097 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC1SCCS1)CCCC2 ZINC000850568598 1053321621 /nfs/dbraw/zinc/32/16/21/1053321621.db2.gz BUBJOWYNWLCTCP-OAHLLOKOSA-N 1 0 338.498 4.148 20 5 EIBDRO CCC[C@H]([NH2+]CCC1SCCS1)c1cccc([N+](=O)[O-])c1 ZINC000850570653 1053324684 /nfs/dbraw/zinc/32/46/84/1053324684.db2.gz YSWVMRRUOAFWOG-AWEZNQCLSA-N 1 0 326.487 4.222 20 5 EIBDRO CC(C)n1cc2c(n1)[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000764937639 1053387991 /nfs/dbraw/zinc/38/79/91/1053387991.db2.gz DNPJQBCNCOLZQR-SUMWQHHRSA-N 1 0 328.416 4.100 20 5 EIBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCc2ccc(F)cc21 ZINC001195704662 1053463836 /nfs/dbraw/zinc/46/38/36/1053463836.db2.gz OWKSNHUGSHOAEF-LBPRGKRZSA-N 1 0 332.350 4.035 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000765298654 1053496687 /nfs/dbraw/zinc/49/66/87/1053496687.db2.gz ASYJESNUNKURRD-AWEZNQCLSA-N 1 0 345.468 4.284 20 5 EIBDRO Cc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000776584728 1053560681 /nfs/dbraw/zinc/56/06/81/1053560681.db2.gz PKNBHDZLXTVBIS-MSOLQXFVSA-N 1 0 344.411 4.147 20 5 EIBDRO CC(C)(C)[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776586178 1053567725 /nfs/dbraw/zinc/56/77/25/1053567725.db2.gz DBDXSDPCZLWFIM-MSOLQXFVSA-N 1 0 328.412 4.005 20 5 EIBDRO CC(C)c1ccc(C(C)(C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776592376 1053572041 /nfs/dbraw/zinc/57/20/41/1053572041.db2.gz MYOXPWBJQIVJHC-IBGZPJMESA-N 1 0 342.439 4.277 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000852596382 1053593927 /nfs/dbraw/zinc/59/39/27/1053593927.db2.gz LHLYVIYHZCBXEM-SUMWQHHRSA-N 1 0 338.835 4.029 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC001196505720 1053686500 /nfs/dbraw/zinc/68/65/00/1053686500.db2.gz FRAZSLIGWCYGGP-VQIMIIECSA-N 1 0 339.439 4.175 20 5 EIBDRO Cc1csc(C2([NH2+][C@@H](C)Cc3ccc(F)cc3[N+](=O)[O-])CCC2)n1 ZINC000866319803 1053690593 /nfs/dbraw/zinc/69/05/93/1053690593.db2.gz KOKOALWMMPRLBO-NSHDSACASA-N 1 0 349.431 4.099 20 5 EIBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000866393707 1053712920 /nfs/dbraw/zinc/71/29/20/1053712920.db2.gz PRWWUIUZUOIACD-WJFWJRBTSA-N 1 0 342.361 4.223 20 5 EIBDRO [NH3+]CC[C@@H]1CN(c2cc3cccnc3c3ncccc23)c2ccccc21 ZINC001168547203 1053785174 /nfs/dbraw/zinc/78/51/74/1053785174.db2.gz BALWIFWWWVYONI-MRXNPFEDSA-N 1 0 340.430 4.367 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866610117 1053804710 /nfs/dbraw/zinc/80/47/10/1053804710.db2.gz QWSUSCCIZXHAPH-HZSPNIEDSA-N 1 0 326.318 4.069 20 5 EIBDRO C[N@@H+]1CCC[C@@H](CNc2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301409066 1053870540 /nfs/dbraw/zinc/87/05/40/1053870540.db2.gz IYWFWXVVBBBEIJ-SUMWQHHRSA-N 1 0 331.441 4.151 20 5 EIBDRO CC(C)(C)OCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000543705494 1053920655 /nfs/dbraw/zinc/92/06/55/1053920655.db2.gz QBFYAAZUJDFTDO-GOSISDBHSA-N 1 0 328.412 4.089 20 5 EIBDRO Cc1cc(Cl)c(N2C[C@H](CC[NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001168556086 1053945657 /nfs/dbraw/zinc/94/56/57/1053945657.db2.gz XPUQEKRFGWGJIK-LBPRGKRZSA-N 1 0 331.803 4.141 20 5 EIBDRO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000173322212 1054022994 /nfs/dbraw/zinc/02/29/94/1054022994.db2.gz ZYIOWKYYVSYCKD-ZIAGYGMSSA-N 1 0 344.411 4.332 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000173348356 1054093609 /nfs/dbraw/zinc/09/36/09/1054093609.db2.gz BSYCRSYIXZSZOH-ZBEGNZNMSA-N 1 0 332.787 4.423 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(CC3CCCCC3)CC2)c1 ZINC001198210159 1054096701 /nfs/dbraw/zinc/09/67/01/1054096701.db2.gz GGLQNGHKYDWSBI-FQEVSTJZSA-N 1 0 346.471 4.311 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC)C1CCOCC1 ZINC000872040405 1054356027 /nfs/dbraw/zinc/35/60/27/1054356027.db2.gz LJSRTTAUTIQOAY-BLLLJJGKSA-N 1 0 338.473 4.173 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1cnccc1C ZINC000872043915 1054360222 /nfs/dbraw/zinc/36/02/22/1054360222.db2.gz ODCLDUZOGVRLKG-QWHCGFSZSA-N 1 0 331.441 4.432 20 5 EIBDRO CSc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)ccn1 ZINC000872048369 1054361946 /nfs/dbraw/zinc/36/19/46/1054361946.db2.gz YRRIAFLWJAMTHH-NSHDSACASA-N 1 0 349.481 4.284 20 5 EIBDRO CCOC1CC(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872064789 1054373829 /nfs/dbraw/zinc/37/38/29/1054373829.db2.gz MAYOKOWFPKQAFI-OPFPJEHXSA-N 1 0 338.473 4.173 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(C(F)(F)F)CC1 ZINC000872071305 1054375820 /nfs/dbraw/zinc/37/58/20/1054375820.db2.gz NEFFWCDBPVHIPQ-SECBINFHSA-N 1 0 334.363 4.310 20 5 EIBDRO C[C@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872093838 1054386882 /nfs/dbraw/zinc/38/68/82/1054386882.db2.gz XJZIZMYWBMJRCI-BBRMVZONSA-N 1 0 336.407 4.124 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccc3ncccc13)CCC2 ZINC000872124265 1054402045 /nfs/dbraw/zinc/40/20/45/1054402045.db2.gz IHCUGJCGIBGVHT-FQEVSTJZSA-N 1 0 333.391 4.310 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)c1ccccc1[N+](=O)[O-] ZINC000872129501 1054403593 /nfs/dbraw/zinc/40/35/93/1054403593.db2.gz FAGORJILQWHWAL-BFYDXBDKSA-N 1 0 325.412 4.367 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)nc1 ZINC000872129875 1054404867 /nfs/dbraw/zinc/40/48/67/1054404867.db2.gz FUYWXEFXDZBBSE-WDEREUQCSA-N 1 0 339.317 4.420 20 5 EIBDRO COc1cccc2c1CCC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC001199412032 1054406592 /nfs/dbraw/zinc/40/65/92/1054406592.db2.gz FPALKWSEXXZVQX-PBHICJAKSA-N 1 0 340.423 4.202 20 5 EIBDRO Cc1c(C[NH2+][C@@H]2CCCOc3c(F)cccc32)cccc1[N+](=O)[O-] ZINC000873102059 1054486836 /nfs/dbraw/zinc/48/68/36/1054486836.db2.gz FPJCKRHSZWCRSB-MRXNPFEDSA-N 1 0 330.359 4.046 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000873129228 1054490820 /nfs/dbraw/zinc/49/08/20/1054490820.db2.gz IILBFBGSCSDQGL-RHSMWYFYSA-N 1 0 346.452 4.283 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCc2ccc(Cl)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858581633 1054528814 /nfs/dbraw/zinc/52/88/14/1054528814.db2.gz HJNWDESREZKSQO-MGPLVRAMSA-N 1 0 331.803 4.169 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCc3c2cccc3Br)c1 ZINC000105491902 1054529951 /nfs/dbraw/zinc/52/99/51/1054529951.db2.gz YYLKOYASIHADGH-INIZCTEOSA-N 1 0 347.212 4.134 20 5 EIBDRO Nc1ccc2cc3ccc(Nc4cc(O)cc([N+](=O)[O-])c4)cc3[nH+]c2c1 ZINC001201224734 1054733016 /nfs/dbraw/zinc/73/30/16/1054733016.db2.gz SHRWWUJRPPAJPI-UHFFFAOYSA-N 1 0 346.346 4.328 20 5 EIBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1(C)C ZINC001201655752 1054878352 /nfs/dbraw/zinc/87/83/52/1054878352.db2.gz NZFHWMQCGCFHIW-JBBXEZCESA-N 1 0 344.411 4.004 20 5 EIBDRO COc1cc(C[NH2+]C2CCC3(CCCCC3)CC2)c([N+](=O)[O-])cc1O ZINC001202018552 1054981753 /nfs/dbraw/zinc/98/17/53/1054981753.db2.gz PGBHMDLWZZZGOR-UHFFFAOYSA-N 1 0 348.443 4.292 20 5 EIBDRO Cc1csc([C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)n1 ZINC000877814254 1055128342 /nfs/dbraw/zinc/12/83/42/1055128342.db2.gz WPWFOJWKEPNUPR-NSHDSACASA-N 1 0 337.832 4.003 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000765815473 1055495494 /nfs/dbraw/zinc/49/54/94/1055495494.db2.gz JUKPHZGHIROUIT-ACJLOTCBSA-N 1 0 348.830 4.115 20 5 EIBDRO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000091062156 1055512780 /nfs/dbraw/zinc/51/27/80/1055512780.db2.gz AVUVHVIFNHLMFJ-ZDUSSCGKSA-N 1 0 340.383 4.046 20 5 EIBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273252905 1055569508 /nfs/dbraw/zinc/56/95/08/1055569508.db2.gz AJALDVBIYHJLNO-OALUTQOASA-N 1 0 344.386 4.086 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000301484951 1055639762 /nfs/dbraw/zinc/63/97/62/1055639762.db2.gz WCARNSIOQNZZFF-KSSFIOAISA-N 1 0 345.468 4.460 20 5 EIBDRO C[C@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301508516 1055648385 /nfs/dbraw/zinc/64/83/85/1055648385.db2.gz AQBPSVXDGNISDJ-HOCLYGCPSA-N 1 0 343.402 4.199 20 5 EIBDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765844881 1055845525 /nfs/dbraw/zinc/84/55/25/1055845525.db2.gz KFCPGCIWMFEKMJ-CXAGYDPISA-N 1 0 340.379 4.034 20 5 EIBDRO CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000765844757 1055845922 /nfs/dbraw/zinc/84/59/22/1055845922.db2.gz JDFITLKYVBRZMN-QRWLVFNGSA-N 1 0 342.439 4.178 20 5 EIBDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000765848131 1055873628 /nfs/dbraw/zinc/87/36/28/1055873628.db2.gz FTMSOXPXUDZNIH-CHWSQXEVSA-N 1 0 340.832 4.084 20 5 EIBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000273502637 1055890393 /nfs/dbraw/zinc/89/03/93/1055890393.db2.gz PJXPSQSQNKPHSP-IEBWSBKVSA-N 1 0 344.386 4.052 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000327258674 1056389559 /nfs/dbraw/zinc/38/95/59/1056389559.db2.gz CSUONEMHLXJKOR-OXQOHEQNSA-N 1 0 339.439 4.083 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2C2CCCC2)cc1[N+](=O)[O-] ZINC000921818150 1056633081 /nfs/dbraw/zinc/63/30/81/1056633081.db2.gz NPQZOPYGKFYTEO-CQSZACIVSA-N 1 0 342.443 4.145 20 5 EIBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC001168678389 1056677964 /nfs/dbraw/zinc/67/79/64/1056677964.db2.gz VSXWLZUJSQLUNB-QGZVFWFLSA-N 1 0 334.803 4.368 20 5 EIBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C12CCCC2 ZINC000742390064 1058586915 /nfs/dbraw/zinc/58/69/15/1058586915.db2.gz ANFAKRPQOQEHRL-CVEARBPZSA-N 1 0 338.835 4.076 20 5 EIBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C12CCCC2 ZINC000742390454 1058589981 /nfs/dbraw/zinc/58/99/81/1058589981.db2.gz HKBRBVPNTVVTGA-HOTGVXAUSA-N 1 0 338.835 4.076 20 5 EIBDRO CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](O)c1ccc(C)cc1 ZINC000743865203 1059182676 /nfs/dbraw/zinc/18/26/76/1059182676.db2.gz YOXBBDQOXMDRHV-SFHVURJKSA-N 1 0 348.830 4.112 20 5 EIBDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC001168967844 1060562516 /nfs/dbraw/zinc/56/25/16/1060562516.db2.gz BQTXZRTVLUWKRB-LJQANCHMSA-N 1 0 328.387 4.331 20 5 EIBDRO CC(C)(Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168995584 1060569393 /nfs/dbraw/zinc/56/93/93/1060569393.db2.gz SBLPJTUEUHOHNV-UKRRQHHQSA-N 1 0 344.377 4.062 20 5 EIBDRO CCCC[C@H]([NH3+])Cc1cn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168987884 1060585285 /nfs/dbraw/zinc/58/52/85/1060585285.db2.gz LBEMVZRPMLKAOJ-RYQLBKOJSA-N 1 0 343.471 4.319 20 5 EIBDRO C[N@H+](Cc1ccccc1Oc1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035195 1060590167 /nfs/dbraw/zinc/59/01/67/1060590167.db2.gz BJRPIAYNGIEQEL-SJLPKXTDSA-N 1 0 340.423 4.356 20 5 EIBDRO Cc1ccccc1C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC001169102505 1060635626 /nfs/dbraw/zinc/63/56/26/1060635626.db2.gz MZQGQELQDNDHKB-UHFFFAOYSA-N 1 0 340.423 4.162 20 5 EIBDRO CCC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC000766598231 1060649661 /nfs/dbraw/zinc/64/96/61/1060649661.db2.gz UEOANAYEOWTQLF-UHFFFAOYSA-N 1 0 331.460 4.124 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)C1CCCCCC1 ZINC001169135198 1060653351 /nfs/dbraw/zinc/65/33/51/1060653351.db2.gz FJSYISVYAXYCFQ-OAHLLOKOSA-N 1 0 347.459 4.180 20 5 EIBDRO CC1(C)C[C@H](Nc2cc3cc[nH]c3c([N+](=O)[O-])c2)C[C@@](C)(C[NH3+])C1 ZINC001169145280 1060664961 /nfs/dbraw/zinc/66/49/61/1060664961.db2.gz OPMZYROBPDGBOI-KBXCAEBGSA-N 1 0 330.432 4.032 20 5 EIBDRO CC(=O)N1CC[C@H]([N@H+](C)Cc2c3ccccc3cc3ccccc32)C1 ZINC001169556580 1060855895 /nfs/dbraw/zinc/85/58/95/1060855895.db2.gz RQLBFRZWAGBNGK-IBGZPJMESA-N 1 0 332.447 4.046 20 5 EIBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC001169567076 1060860252 /nfs/dbraw/zinc/86/02/52/1060860252.db2.gz LYNDWQBWHHCVTB-ZFWWWQNUSA-N 1 0 347.459 4.036 20 5 EIBDRO CC[C@@](C)([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000766852835 1060991511 /nfs/dbraw/zinc/99/15/11/1060991511.db2.gz NZCPYOZZNFVQOZ-GOSISDBHSA-N 1 0 332.375 4.158 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1 ZINC000038018425 213190077 /nfs/dbraw/zinc/19/00/77/213190077.db2.gz WQQIIYBPXYJMRR-SECBINFHSA-N 1 0 341.230 4.270 20 5 EIBDRO Cc1c(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000237603933 1032060041 /nfs/dbraw/zinc/06/00/41/1032060041.db2.gz SZAAVHOAGJWRSS-UHFFFAOYSA-N 1 0 340.301 4.092 20 5 EIBDRO CC1(C)CCC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094265991 1025531816 /nfs/dbraw/zinc/53/18/16/1025531816.db2.gz HDXOKVCUWYHPCB-CYBMUJFWSA-N 1 0 327.222 4.026 20 5 EIBDRO COc1ccc(O[C@@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000532234356 1032117416 /nfs/dbraw/zinc/11/74/16/1032117416.db2.gz VGSCTCCLKFAQGX-GJZGRUSLSA-N 1 0 344.411 4.030 20 5 EIBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001307494062 1032223835 /nfs/dbraw/zinc/22/38/35/1032223835.db2.gz CUGFEVHLMVLCHA-OCCSQVGLSA-N 1 0 328.865 4.354 20 5 EIBDRO CC(=O)c1cccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000450282132 1032399034 /nfs/dbraw/zinc/39/90/34/1032399034.db2.gz GHRNVBSQUIEMBW-UHFFFAOYSA-N 1 0 326.396 4.208 20 5 EIBDRO CC[C@H](C)[C@H](C)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000532963257 1032415236 /nfs/dbraw/zinc/41/52/36/1032415236.db2.gz BKXFERBNNMMWJQ-STQMWFEESA-N 1 0 344.415 4.044 20 5 EIBDRO CC[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000533435601 1032762416 /nfs/dbraw/zinc/76/24/16/1032762416.db2.gz NGFTZAZYJQYHSH-HNNXBMFYSA-N 1 0 343.427 4.304 20 5 EIBDRO COCC(C)(C)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000430152050 1018880123 /nfs/dbraw/zinc/88/01/23/1018880123.db2.gz SLHIBTHADJXUCE-UHFFFAOYSA-N 1 0 334.441 4.180 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000430195001 1019161207 /nfs/dbraw/zinc/16/12/07/1019161207.db2.gz MCCVJKOIMZYRNJ-AWEZNQCLSA-N 1 0 344.411 4.241 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(N(CC)CC)nc1)c1cccc([N+](=O)[O-])c1 ZINC000126861975 1019217449 /nfs/dbraw/zinc/21/74/49/1019217449.db2.gz ZTHAOJXVXKJVAQ-SFHVURJKSA-N 1 0 342.443 4.077 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccccc1C)C(C)C ZINC000430209883 1019361955 /nfs/dbraw/zinc/36/19/55/1019361955.db2.gz SOEBBRCSBJQPGD-IBGZPJMESA-N 1 0 328.412 4.399 20 5 EIBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@H](C)O ZINC000157584847 1019495137 /nfs/dbraw/zinc/49/51/37/1019495137.db2.gz HVQCVUPVVKEIDZ-RDBSUJKOSA-N 1 0 348.468 4.381 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C[C@H](C)O)c2ccccc2)cc1[N+](=O)[O-] ZINC000246914784 1020186176 /nfs/dbraw/zinc/18/61/76/1020186176.db2.gz FUQNAWZMISODDD-TXPKVOOTSA-N 1 0 342.439 4.109 20 5 EIBDRO C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000246958147 1020298894 /nfs/dbraw/zinc/29/88/94/1020298894.db2.gz ISHMWJSZYNOAJB-GDIGMMSISA-N 1 0 326.396 4.166 20 5 EIBDRO CC[C@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000246994335 1020321691 /nfs/dbraw/zinc/32/16/91/1020321691.db2.gz GIUUGRTTXMDZKM-KGLIPLIRSA-N 1 0 344.415 4.218 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000610271446 1020834527 /nfs/dbraw/zinc/83/45/27/1020834527.db2.gz IFBYJSRFGVNRQU-KBAYOESNSA-N 1 0 332.444 4.011 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1-n1cccn1 ZINC000177229894 1020960361 /nfs/dbraw/zinc/96/03/61/1020960361.db2.gz QHBCBQHZCIKICO-LSDHHAIUSA-N 1 0 336.395 4.192 20 5 EIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H]2C2CCC2)c1 ZINC001167307637 1021003529 /nfs/dbraw/zinc/00/35/29/1021003529.db2.gz ZMQLTUQBAGJISB-OAHLLOKOSA-N 1 0 328.334 4.378 20 5 EIBDRO Cc1ccc(C)n1C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000512511598 1032970836 /nfs/dbraw/zinc/97/08/36/1032970836.db2.gz JGNREHBFLOMLOI-FNORWQNLSA-N 1 0 339.439 4.363 20 5 EIBDRO Cc1ccc(C)n1C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000512511597 1032971447 /nfs/dbraw/zinc/97/14/47/1032971447.db2.gz JGNREHBFLOMLOI-ALCCZGGFSA-N 1 0 339.439 4.363 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000610368735 1021541638 /nfs/dbraw/zinc/54/16/38/1021541638.db2.gz HTFCLJOEZCKRAB-HNAYVOBHSA-N 1 0 326.396 4.119 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000610368736 1021542676 /nfs/dbraw/zinc/54/26/76/1021542676.db2.gz HTFCLJOEZCKRAB-KXBFYZLASA-N 1 0 326.396 4.119 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000610368733 1021543359 /nfs/dbraw/zinc/54/33/59/1021543359.db2.gz HTFCLJOEZCKRAB-BEFAXECRSA-N 1 0 326.396 4.119 20 5 EIBDRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001167405403 1022059472 /nfs/dbraw/zinc/05/94/72/1022059472.db2.gz DNDZQSRTUKLIQE-AWEZNQCLSA-N 1 0 341.249 4.368 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CC[C@H]2CCCCO2)c2ccccc2)c1 ZINC000180263325 1022404438 /nfs/dbraw/zinc/40/44/38/1022404438.db2.gz XUQCBABKTUNHTF-WOJBJXKFSA-N 1 0 340.423 4.233 20 5 EIBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104666739 1022672169 /nfs/dbraw/zinc/67/21/69/1022672169.db2.gz VIGYAQRAMWPCCT-YOEHRIQHSA-N 1 0 343.427 4.303 20 5 EIBDRO CCOC1CC(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000188784008 1022832730 /nfs/dbraw/zinc/83/27/30/1022832730.db2.gz LGUPWYQKDCXQTI-UHFFFAOYSA-N 1 0 344.411 4.150 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2csc(C(C)C)n2)cc1[N+](=O)[O-] ZINC000156973856 1022921512 /nfs/dbraw/zinc/92/15/12/1022921512.db2.gz MQEQUUMCDANOBN-CYBMUJFWSA-N 1 0 333.457 4.376 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]CCc2csc(C(C)C)n2)cc1[N+](=O)[O-] ZINC000156973991 1022923469 /nfs/dbraw/zinc/92/34/69/1022923469.db2.gz MQEQUUMCDANOBN-ZDUSSCGKSA-N 1 0 333.457 4.376 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]CCc2csc(C(C)C)n2)cccc1[N+](=O)[O-] ZINC000156985259 1022931230 /nfs/dbraw/zinc/93/12/30/1022931230.db2.gz QJKUWSIAQROBQI-CYBMUJFWSA-N 1 0 333.457 4.376 20 5 EIBDRO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000188954001 1022961933 /nfs/dbraw/zinc/96/19/33/1022961933.db2.gz IBRXPRCMXHURAM-HNNXBMFYSA-N 1 0 332.787 4.170 20 5 EIBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000189112188 1023026750 /nfs/dbraw/zinc/02/67/50/1023026750.db2.gz SFHUBVLLUXGNBA-QWRGUYRKSA-N 1 0 338.791 4.021 20 5 EIBDRO Cc1cc([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)o1 ZINC000581393066 1023095695 /nfs/dbraw/zinc/09/56/95/1023095695.db2.gz CWQZJZMFKWGFMU-LBPRGKRZSA-N 1 0 327.384 4.179 20 5 EIBDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@H](C)O1 ZINC000414509983 1023246795 /nfs/dbraw/zinc/24/67/95/1023246795.db2.gz CZDHFERHSFTKAL-VNHYZAJKSA-N 1 0 346.452 4.226 20 5 EIBDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@H](C)O1 ZINC000414510965 1023247151 /nfs/dbraw/zinc/24/71/51/1023247151.db2.gz GDLSQWNFZPBBNI-HZSPNIEDSA-N 1 0 346.452 4.226 20 5 EIBDRO CCOC1CC(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417331752 1023269035 /nfs/dbraw/zinc/26/90/35/1023269035.db2.gz MQZHSQWXQSMUCC-ITXXBFQVSA-N 1 0 332.444 4.157 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@@H]2COCc3ccccc32)c2cc([N+](=O)[O-])ccc21 ZINC000417372741 1023294748 /nfs/dbraw/zinc/29/47/48/1023294748.db2.gz XLCVIUYXBXASTN-RBUKOAKNSA-N 1 0 338.407 4.178 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3ccc(F)cc31)CCC2 ZINC000584523294 1023478363 /nfs/dbraw/zinc/47/83/63/1023478363.db2.gz BENITHBFVDLOKZ-RBUKOAKNSA-N 1 0 326.371 4.388 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000120184679 1023607174 /nfs/dbraw/zinc/60/71/74/1023607174.db2.gz WQHAOPIXUYBQDR-LLVKDONJSA-N 1 0 340.301 4.344 20 5 EIBDRO C[C@@H]([NH2+]CCc1ccccc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000471787576 1023845441 /nfs/dbraw/zinc/84/54/41/1023845441.db2.gz MWWXGHRONJAPIG-GFCCVEGCSA-N 1 0 336.338 4.090 20 5 EIBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000135337350 1023866447 /nfs/dbraw/zinc/86/64/47/1023866447.db2.gz WCQKZVGPNKDVAO-BBRMVZONSA-N 1 0 344.415 4.045 20 5 EIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cs1 ZINC000047265870 1023880022 /nfs/dbraw/zinc/88/00/22/1023880022.db2.gz OIGYCSZZMMTKEZ-CYBMUJFWSA-N 1 0 343.408 4.177 20 5 EIBDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000610581326 1024114475 /nfs/dbraw/zinc/11/44/75/1024114475.db2.gz ZUOXHKQSQAHHGO-KRWDZBQOSA-N 1 0 337.379 4.382 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCOC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000127387138 1024402227 /nfs/dbraw/zinc/40/22/27/1024402227.db2.gz OKERCBIDALBEIP-JKSUJKDBSA-N 1 0 332.444 4.436 20 5 EIBDRO COc1ccc(C[NH2+][C@H](c2ccccc2)C2CCC2)cc1[N+](=O)[O-] ZINC000104696814 1024470933 /nfs/dbraw/zinc/47/09/33/1024470933.db2.gz ZSOULBGHBIRIOZ-LJQANCHMSA-N 1 0 326.396 4.234 20 5 EIBDRO CCC[C@H]([NH2+]CCCCn1ccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000164652154 1024776151 /nfs/dbraw/zinc/77/61/51/1024776151.db2.gz QNXZEEYKFWZBIS-SFHVURJKSA-N 1 0 330.432 4.011 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000049129656 1024802243 /nfs/dbraw/zinc/80/22/43/1024802243.db2.gz ZOWZMTLOZTYQDI-VIFPVBQESA-N 1 0 326.805 4.169 20 5 EIBDRO Cc1ncc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)s1 ZINC000105448498 1025371329 /nfs/dbraw/zinc/37/13/29/1025371329.db2.gz OHFSXIIUYJVZCU-UHFFFAOYSA-N 1 0 345.449 4.378 20 5 EIBDRO CCC1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCOCC1 ZINC000536419444 1025724287 /nfs/dbraw/zinc/72/42/87/1025724287.db2.gz HTDWIBNPPXKDRH-UHFFFAOYSA-N 1 0 346.452 4.372 20 5 EIBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1ccc(C(C)C)cc1)C(C)C ZINC000611567414 1025753778 /nfs/dbraw/zinc/75/37/78/1025753778.db2.gz RSQLFQKDRRBFIR-LJQANCHMSA-N 1 0 344.459 4.210 20 5 EIBDRO CCC[C@H]([NH2+]CCCc1nc(C(C)C)no1)c1cccc([N+](=O)[O-])c1 ZINC000178515460 1025865750 /nfs/dbraw/zinc/86/57/50/1025865750.db2.gz CIQGJNHXIRKOOD-INIZCTEOSA-N 1 0 346.431 4.165 20 5 EIBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000071954790 1025871864 /nfs/dbraw/zinc/87/18/64/1025871864.db2.gz ULFUTDHGMSHIPU-UHFFFAOYSA-N 1 0 331.391 4.186 20 5 EIBDRO Cc1c(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000071958737 1025883677 /nfs/dbraw/zinc/88/36/77/1025883677.db2.gz IYLGCVUBGQQBBW-LJQANCHMSA-N 1 0 340.423 4.084 20 5 EIBDRO COc1ccc([C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000178532104 1026047996 /nfs/dbraw/zinc/04/79/96/1026047996.db2.gz PHZMVFOMPWBJNC-BFUOFWGJSA-N 1 0 326.396 4.405 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+](C3CC3)C3CCCCC3)c2)cc1 ZINC000728896826 1026190999 /nfs/dbraw/zinc/19/09/99/1026190999.db2.gz MEJQYJSANWPTFV-UHFFFAOYSA-N 1 0 340.427 4.213 20 5 EIBDRO COc1c(C)cc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000796811861 1026288104 /nfs/dbraw/zinc/28/81/04/1026288104.db2.gz SEVPLRCHSBUEKP-GFCCVEGCSA-N 1 0 334.803 4.416 20 5 EIBDRO COc1cc(C[NH2+][C@@H](C)c2cc(C)cc(C)c2)c([N+](=O)[O-])cc1F ZINC000184307878 1026411599 /nfs/dbraw/zinc/41/15/99/1026411599.db2.gz UWSYHXPZRQFLIF-ZDUSSCGKSA-N 1 0 332.375 4.210 20 5 EIBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1cccc([N+](=O)[O-])c1 ZINC000582293992 1026421279 /nfs/dbraw/zinc/42/12/79/1026421279.db2.gz HSAPDOBVDPFIIY-KYNGSXCRSA-N 1 0 326.396 4.166 20 5 EIBDRO C[C@@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1cccc([N+](=O)[O-])c1 ZINC000467846288 1026573541 /nfs/dbraw/zinc/57/35/41/1026573541.db2.gz LSYTWOQXLBICGD-GFCCVEGCSA-N 1 0 327.359 4.109 20 5 EIBDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000507140506 1026657894 /nfs/dbraw/zinc/65/78/94/1026657894.db2.gz DWEKCXILDUCPDL-LJQANCHMSA-N 1 0 326.396 4.113 20 5 EIBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1N(C)C ZINC000507170832 1026684544 /nfs/dbraw/zinc/68/45/44/1026684544.db2.gz QMMKMVPOTHKZPT-UHFFFAOYSA-N 1 0 327.428 4.071 20 5 EIBDRO COc1ccc(C)cc1CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000507174735 1026687229 /nfs/dbraw/zinc/68/72/29/1026687229.db2.gz SKEIRGDULXTSJU-UHFFFAOYSA-N 1 0 326.396 4.076 20 5 EIBDRO COCC(C)(C)CCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000562055577 1026710461 /nfs/dbraw/zinc/71/04/61/1026710461.db2.gz FWSHGZPLTHORDK-KRWDZBQOSA-N 1 0 334.460 4.360 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000507706236 1026882162 /nfs/dbraw/zinc/88/21/62/1026882162.db2.gz GWYQPYMVTCLHPF-QLBOMPFWSA-N 1 0 338.407 4.009 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3(CO)CCCCC3)s2)cc1 ZINC000611461681 1026985916 /nfs/dbraw/zinc/98/59/16/1026985916.db2.gz BDQIBTZJSONESD-UHFFFAOYSA-N 1 0 346.452 4.108 20 5 EIBDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178645569 1027073470 /nfs/dbraw/zinc/07/34/70/1027073470.db2.gz ITWIOIUCCOEGPX-AWEZNQCLSA-N 1 0 341.411 4.184 20 5 EIBDRO CCc1nc2c(s1)[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000178685589 1027475255 /nfs/dbraw/zinc/47/52/55/1027475255.db2.gz MQARAHCLKXEZRD-BXUZGUMPSA-N 1 0 331.441 4.342 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000441349277 1027483456 /nfs/dbraw/zinc/48/34/56/1027483456.db2.gz FJDKFFWPMDVSIG-FUHWJXTLSA-N 1 0 340.423 4.195 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000441379198 1027503167 /nfs/dbraw/zinc/50/31/67/1027503167.db2.gz FIAGQGNEDIMUSI-GDBMZVCRSA-N 1 0 328.387 4.360 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1ccc([N+](=O)[O-])cc1 ZINC000896512795 1027519842 /nfs/dbraw/zinc/51/98/42/1027519842.db2.gz VZALTDWXJQLZKQ-CYBMUJFWSA-N 1 0 342.395 4.091 20 5 EIBDRO C[C@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1ccc([N+](=O)[O-])cc1 ZINC000186614926 1027697679 /nfs/dbraw/zinc/69/76/79/1027697679.db2.gz HZXMYFBFUILXDU-NSHDSACASA-N 1 0 332.787 4.034 20 5 EIBDRO Cc1ccc([C@H]2CCCN2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444601427 1027886620 /nfs/dbraw/zinc/88/66/20/1027886620.db2.gz ZRLBUNOIZKUHLG-GOSISDBHSA-N 1 0 336.395 4.117 20 5 EIBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000444661620 1027932242 /nfs/dbraw/zinc/93/22/42/1027932242.db2.gz IDZKVAFETDMAGP-CXAGYDPISA-N 1 0 329.400 4.260 20 5 EIBDRO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCC[C@H]1C ZINC000444666401 1027948495 /nfs/dbraw/zinc/94/84/95/1027948495.db2.gz SHUNGKQTCMAHEO-CZUORRHYSA-N 1 0 344.415 4.045 20 5 EIBDRO CC(C)O[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000428310753 1027984179 /nfs/dbraw/zinc/98/41/79/1027984179.db2.gz IMVSADMFDKDZBO-HNAYVOBHSA-N 1 0 328.412 4.412 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000523390866 1028062569 /nfs/dbraw/zinc/06/25/69/1028062569.db2.gz GBZHRBZAHMMOKZ-HNNXBMFYSA-N 1 0 328.412 4.195 20 5 EIBDRO CCC[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000536350500 1028091606 /nfs/dbraw/zinc/09/16/06/1028091606.db2.gz XARCASXDDGMSPT-AWEZNQCLSA-N 1 0 329.400 4.262 20 5 EIBDRO CCC[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000536350501 1028093753 /nfs/dbraw/zinc/09/37/53/1028093753.db2.gz XARCASXDDGMSPT-CQSZACIVSA-N 1 0 329.400 4.262 20 5 EIBDRO CCC[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000324074439 1028104998 /nfs/dbraw/zinc/10/49/98/1028104998.db2.gz YQBGDGCIIHPFAJ-DLBZAZTESA-N 1 0 347.484 4.390 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000278338552 1028911364 /nfs/dbraw/zinc/91/13/64/1028911364.db2.gz AFTHULHZPFOZAQ-IPYPFGDCSA-N 1 0 346.452 4.399 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000524755191 1029202614 /nfs/dbraw/zinc/20/26/14/1029202614.db2.gz ZKPXEVNOXADHHZ-UHFFFAOYSA-N 1 0 332.444 4.156 20 5 EIBDRO CC(C)[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000475230041 1029451840 /nfs/dbraw/zinc/45/18/40/1029451840.db2.gz FXGCUAXWJGRVSL-MRXNPFEDSA-N 1 0 338.411 4.001 20 5 EIBDRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000525127559 1029465910 /nfs/dbraw/zinc/46/59/10/1029465910.db2.gz IGRAJCKDUVYAPV-QGZVFWFLSA-N 1 0 328.412 4.057 20 5 EIBDRO C[C@H](O)CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000278597330 1029575471 /nfs/dbraw/zinc/57/54/71/1029575471.db2.gz AJZPPMLEVZZTCO-STQMWFEESA-N 1 0 334.441 4.135 20 5 EIBDRO CC(C)(C)c1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000278610651 1029592203 /nfs/dbraw/zinc/59/22/03/1029592203.db2.gz GLGFUCRHPYASTG-UHFFFAOYSA-N 1 0 344.440 4.120 20 5 EIBDRO CC(C)c1ccc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)cc1[N+](=O)[O-] ZINC000584198503 1029672132 /nfs/dbraw/zinc/67/21/32/1029672132.db2.gz NURDXOOKPLXWAQ-UHFFFAOYSA-N 1 0 349.350 4.083 20 5 EIBDRO COc1ccc([C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C2CC2)cc1 ZINC000584361491 1029763345 /nfs/dbraw/zinc/76/33/45/1029763345.db2.gz SDDIUOYLLYNQJJ-AZUAARDMSA-N 1 0 338.407 4.332 20 5 EIBDRO CO[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000525696087 1029928154 /nfs/dbraw/zinc/92/81/54/1029928154.db2.gz MOOIOJFTCLERQE-KRWDZBQOSA-N 1 0 334.803 4.034 20 5 EIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCCc3sccc32)n1 ZINC000447602496 1030222329 /nfs/dbraw/zinc/22/23/29/1030222329.db2.gz USOSLCGNGJITJF-RRFJBIMHSA-N 1 0 346.456 4.004 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)C1CC1 ZINC000526050267 1030233297 /nfs/dbraw/zinc/23/32/97/1030233297.db2.gz LULDJOFBSAULHD-GOSISDBHSA-N 1 0 346.377 4.026 20 5 EIBDRO COc1cc(C[NH2+][C@@H](C)c2cccc(C3CC3)c2)c([N+](=O)[O-])cc1F ZINC000451115259 1030242464 /nfs/dbraw/zinc/24/24/64/1030242464.db2.gz NELVXVSNEREDAS-LBPRGKRZSA-N 1 0 344.386 4.471 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]CCCCOc2ccccc2)cc1[N+](=O)[O-] ZINC000526118941 1030288321 /nfs/dbraw/zinc/28/83/21/1030288321.db2.gz XKCFTOMNKWAJDH-INIZCTEOSA-N 1 0 328.412 4.413 20 5 EIBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000022807474 1030374220 /nfs/dbraw/zinc/37/42/20/1030374220.db2.gz GGRYNULTMFNTCS-INIZCTEOSA-N 1 0 348.834 4.138 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCSC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000530476075 1030444028 /nfs/dbraw/zinc/44/40/28/1030444028.db2.gz LWTMFWZTHRCFOJ-RYUDHWBXSA-N 1 0 334.466 4.479 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCC12CCCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451461859 1030513538 /nfs/dbraw/zinc/51/35/38/1030513538.db2.gz VCEAQDIHDNPOPG-DOMZBBRYSA-N 1 0 342.399 4.018 20 5 EIBDRO Cc1nc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(C)s1 ZINC000451543422 1030564428 /nfs/dbraw/zinc/56/44/28/1030564428.db2.gz BLPOURDSEIPEEI-OAHLLOKOSA-N 1 0 331.441 4.048 20 5 EIBDRO CC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000451552194 1030571581 /nfs/dbraw/zinc/57/15/81/1030571581.db2.gz VZDRNRIFFOMKQK-IBGZPJMESA-N 1 0 338.407 4.177 20 5 EIBDRO COc1ccc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000527294494 1030616500 /nfs/dbraw/zinc/61/65/00/1030616500.db2.gz DIEHLFVNKUKLOK-ZROIWOOFSA-N 1 0 326.396 4.105 20 5 EIBDRO Cc1ccc(OC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cc1C ZINC000520042392 1031000206 /nfs/dbraw/zinc/00/02/06/1031000206.db2.gz DOJSFXILOFFTSR-UHFFFAOYSA-N 1 0 340.423 4.255 20 5 EIBDRO C[C@@H](C1CC1)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000170909016 1031055539 /nfs/dbraw/zinc/05/55/39/1031055539.db2.gz DCQGOAYQENPZQK-ZDUSSCGKSA-N 1 0 341.411 4.055 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000130131042 1031135462 /nfs/dbraw/zinc/13/54/62/1031135462.db2.gz WKRAEWKJAZOVNR-GUTXKFCHSA-N 1 0 331.441 4.113 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000614817238 1031334110 /nfs/dbraw/zinc/33/41/10/1031334110.db2.gz AOHYEPGJWYUEFG-WMZOPIPTSA-N 1 0 328.387 4.202 20 5 EIBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000248964869 1031344625 /nfs/dbraw/zinc/34/46/25/1031344625.db2.gz BNZKJRYMAUQEFH-BFHYXJOUSA-N 1 0 346.452 4.135 20 5 EIBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000897466097 1031401504 /nfs/dbraw/zinc/40/15/04/1031401504.db2.gz NWDOWUSFTISALU-KBPBESRZSA-N 1 0 341.411 4.008 20 5 EIBDRO Cc1sc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])nc1C(C)C ZINC000449119893 1031457550 /nfs/dbraw/zinc/45/75/50/1031457550.db2.gz ARHQVZNVZVHKDQ-GFCCVEGCSA-N 1 0 333.457 4.204 20 5 EIBDRO Cc1ccc2c(CC[NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])c[nH]c2c1 ZINC000449111692 1031472409 /nfs/dbraw/zinc/47/24/09/1031472409.db2.gz NIQGLCGKYKKRMK-OAHLLOKOSA-N 1 0 337.423 4.148 20 5 EIBDRO COc1ccc(OCCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000531695139 1031478137 /nfs/dbraw/zinc/47/81/37/1031478137.db2.gz IIPAVHFSMZOYOQ-HNNXBMFYSA-N 1 0 344.411 4.032 20 5 EIBDRO CCC[C@H]([NH2+]C[C@@H](OC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000531702100 1031488991 /nfs/dbraw/zinc/48/89/91/1031488991.db2.gz ZCEUGATYTCARMI-RBUKOAKNSA-N 1 0 328.412 4.413 20 5 EIBDRO Cc1ccc(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)cc1[N+](=O)[O-] ZINC000520244643 1031614930 /nfs/dbraw/zinc/61/49/30/1031614930.db2.gz CHIBRWRNFJLVQC-UHFFFAOYSA-N 1 0 326.396 4.021 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)CCCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000453147726 1031625529 /nfs/dbraw/zinc/62/55/29/1031625529.db2.gz YQWFZKWZVDZLSA-KXBFYZLASA-N 1 0 327.428 4.442 20 5 EIBDRO C[C@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000449346798 1031643133 /nfs/dbraw/zinc/64/31/33/1031643133.db2.gz DHRZMQBPSHZTGM-NSHDSACASA-N 1 0 340.301 4.344 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CSc2ccccc21 ZINC000449367292 1031659923 /nfs/dbraw/zinc/65/99/23/1031659923.db2.gz UZWDCPKIGZELFQ-HIFRSBDPSA-N 1 0 328.437 4.005 20 5 EIBDRO CC(C)OCC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000612574824 1031665053 /nfs/dbraw/zinc/66/50/53/1031665053.db2.gz HXCMVPRECPAIHC-CYBMUJFWSA-N 1 0 334.441 4.399 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000612577462 1031673913 /nfs/dbraw/zinc/67/39/13/1031673913.db2.gz SDQSDZFXGMVKQJ-GOSISDBHSA-N 1 0 328.437 4.193 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000449353430 1031674664 /nfs/dbraw/zinc/67/46/64/1031674664.db2.gz BICSIMNRUAPTLQ-PKOBYXMFSA-N 1 0 346.471 4.102 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000453249431 1031770854 /nfs/dbraw/zinc/77/08/54/1031770854.db2.gz TUDCCQFEZJHKMA-STQMWFEESA-N 1 0 331.391 4.212 20 5 EIBDRO CC(C)Oc1ccc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000531943216 1031824724 /nfs/dbraw/zinc/82/47/24/1031824724.db2.gz AZDBKRWGHGJMKN-HNNXBMFYSA-N 1 0 328.412 4.275 20 5 EIBDRO CCC[C@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000453325160 1031851670 /nfs/dbraw/zinc/85/16/70/1031851670.db2.gz UBDNOYFSYVJOTE-YJBOKZPZSA-N 1 0 332.444 4.375 20 5 EIBDRO CCCc1ncc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000449610397 1031870822 /nfs/dbraw/zinc/87/08/22/1031870822.db2.gz GKYAEJKUSMSTGW-PBHICJAKSA-N 1 0 343.427 4.036 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnc(C2CC2)o1 ZINC000453349263 1031877328 /nfs/dbraw/zinc/87/73/28/1031877328.db2.gz JMFRGKYTONXBNY-CYBMUJFWSA-N 1 0 347.440 4.121 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCC3CC(F)(F)C3)o2)c1 ZINC000453582116 1032030319 /nfs/dbraw/zinc/03/03/19/1032030319.db2.gz BDPLKJFNIHCEBH-UHFFFAOYSA-N 1 0 336.338 4.380 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000532099230 1032041822 /nfs/dbraw/zinc/04/18/22/1032041822.db2.gz KHIYIZYXNQDYEG-MPGHIAIKSA-N 1 0 334.460 4.395 20 5 EIBDRO C[N@H+](CCc1ccc(Br)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000518057997 1033310757 /nfs/dbraw/zinc/31/07/57/1033310757.db2.gz XRHGAGALXUQWAA-UHFFFAOYSA-N 1 0 349.228 4.032 20 5 EIBDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563416792 1033430573 /nfs/dbraw/zinc/43/05/73/1033430573.db2.gz JSFDWBJABKXYRJ-GUYCJALGSA-N 1 0 326.396 4.250 20 5 EIBDRO Cc1ccsc1[C@H](CO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433290931 1034185165 /nfs/dbraw/zinc/18/51/65/1034185165.db2.gz UNNLSFRPQQYWMO-CVEARBPZSA-N 1 0 346.452 4.010 20 5 EIBDRO COc1cc(C)cc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433302193 1034196107 /nfs/dbraw/zinc/19/61/07/1034196107.db2.gz HRJDFEOIICNCBQ-LJQANCHMSA-N 1 0 340.423 4.424 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000419330550 1034314390 /nfs/dbraw/zinc/31/43/90/1034314390.db2.gz GASXQCUKLHWWTH-ZDUSSCGKSA-N 1 0 326.396 4.332 20 5 EIBDRO C[N@@H+]1CC[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000473518906 1034679238 /nfs/dbraw/zinc/67/92/38/1034679238.db2.gz MYHSLWFUFZJFLR-HKUYNNGSSA-N 1 0 348.406 4.000 20 5 EIBDRO CCc1cc(OC)ccc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000501468691 1035449453 /nfs/dbraw/zinc/44/94/53/1035449453.db2.gz CMQANHCBSKDDBG-AWEZNQCLSA-N 1 0 328.412 4.325 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000595011801 1035505538 /nfs/dbraw/zinc/50/55/38/1035505538.db2.gz FHMKILHZXSZSBY-CHWSQXEVSA-N 1 0 332.375 4.463 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1(c2ccccc2)CCC1 ZINC000595022729 1035510093 /nfs/dbraw/zinc/51/00/93/1035510093.db2.gz NEQXRQSOCPAVIF-AWEZNQCLSA-N 1 0 326.396 4.333 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000595022602 1035510381 /nfs/dbraw/zinc/51/03/81/1035510381.db2.gz OCHUEWYHXRJTEZ-GJZGRUSLSA-N 1 0 348.443 4.136 20 5 EIBDRO C[C@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1(F)F ZINC000594982590 1035515561 /nfs/dbraw/zinc/51/55/61/1035515561.db2.gz AVFARYDLKSPGAI-OAHLLOKOSA-N 1 0 338.379 4.458 20 5 EIBDRO CC(C)[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000594993833 1035519926 /nfs/dbraw/zinc/51/99/26/1035519926.db2.gz RLWXUDREINOWAX-INIZCTEOSA-N 1 0 331.441 4.243 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCSc2ccccc21 ZINC000595007215 1035531482 /nfs/dbraw/zinc/53/14/82/1035531482.db2.gz KCVXDABUFGIZQJ-BLLLJJGKSA-N 1 0 344.436 4.491 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000595067111 1035548561 /nfs/dbraw/zinc/54/85/61/1035548561.db2.gz KTUZOCRDWAAUTF-CHWSQXEVSA-N 1 0 346.452 4.135 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(OC3CC3)c2F)cccc1[N+](=O)[O-] ZINC000595066988 1035550248 /nfs/dbraw/zinc/55/02/48/1035550248.db2.gz CVAKMGIXVFZZTE-CYBMUJFWSA-N 1 0 344.386 4.434 20 5 EIBDRO COc1cccc(C2([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])CCC2)c1 ZINC000595093961 1035603448 /nfs/dbraw/zinc/60/34/48/1035603448.db2.gz QIHUXKQAAUROPD-GOSISDBHSA-N 1 0 338.407 4.260 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H](O)C(C)C)cccc1[N+](=O)[O-] ZINC000595097597 1035604672 /nfs/dbraw/zinc/60/46/72/1035604672.db2.gz YXKLCZLNBAEEET-RYGJVYDSSA-N 1 0 342.439 4.312 20 5 EIBDRO CC(C)[C@H](O)[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000595095103 1035605156 /nfs/dbraw/zinc/60/51/56/1035605156.db2.gz FMCXFSDHCRMMGZ-KYNGSXCRSA-N 1 0 328.412 4.004 20 5 EIBDRO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595415978 1035674457 /nfs/dbraw/zinc/67/44/57/1035674457.db2.gz PCMPSWXILMSOPX-ZDUSSCGKSA-N 1 0 332.375 4.372 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595789237 1035793502 /nfs/dbraw/zinc/79/35/02/1035793502.db2.gz PVRVJJQIOOMAKW-TXPKVOOTSA-N 1 0 332.444 4.245 20 5 EIBDRO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000237138923 1035841956 /nfs/dbraw/zinc/84/19/56/1035841956.db2.gz KNAWJIQPHGOXNS-ZDUSSCGKSA-N 1 0 332.400 4.148 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055103184 1035887221 /nfs/dbraw/zinc/88/72/21/1035887221.db2.gz NEICFJHLVZQOEL-AWEZNQCLSA-N 1 0 326.396 4.241 20 5 EIBDRO COc1cc(N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000571339624 1036028921 /nfs/dbraw/zinc/02/89/21/1036028921.db2.gz MHTXONVGXOIPRY-KUHUBIRLSA-N 1 0 343.427 4.015 20 5 EIBDRO CCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CCCCC1 ZINC000060495759 1036159056 /nfs/dbraw/zinc/15/90/56/1036159056.db2.gz HDOTYPIZVXPBEJ-UHFFFAOYSA-N 1 0 348.443 4.254 20 5 EIBDRO C[C@@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1cccc([N+](=O)[O-])c1 ZINC000593320762 1036178515 /nfs/dbraw/zinc/17/85/15/1036178515.db2.gz GABQBEDHUFQAHJ-RHSMWYFYSA-N 1 0 325.412 4.062 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCO[C@@H](c2ccccc2)C1 ZINC000485797554 1036280008 /nfs/dbraw/zinc/28/00/08/1036280008.db2.gz YMNKDWQRDMYLLR-DNVCBOLYSA-N 1 0 326.396 4.038 20 5 EIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H](C)c1ccc(F)cc1 ZINC000485801627 1036283706 /nfs/dbraw/zinc/28/37/06/1036283706.db2.gz PULRKURPAUNXDM-CYBMUJFWSA-N 1 0 332.375 4.326 20 5 EIBDRO COc1cc(C[NH2+][C@@H](C)c2ccc3ncsc3c2)ccc1[N+](=O)[O-] ZINC000485823315 1036306397 /nfs/dbraw/zinc/30/63/97/1036306397.db2.gz PDECBTYFUBPYIM-NSHDSACASA-N 1 0 343.408 4.064 20 5 EIBDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000760697336 1036384022 /nfs/dbraw/zinc/38/40/22/1036384022.db2.gz BYLXKAPHEGSICO-CMJOXMDJSA-N 1 0 325.477 4.240 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@@H]3C[C@H]3c3ccccc3)c2c1 ZINC000588933816 1036610323 /nfs/dbraw/zinc/61/03/23/1036610323.db2.gz AAAGYRYAJWGOIH-WMZOPIPTSA-N 1 0 335.407 4.012 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000602905884 1036669259 /nfs/dbraw/zinc/66/92/59/1036669259.db2.gz VCOAKXCPCCZPGC-ZDUSSCGKSA-N 1 0 329.375 4.070 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H](C4CC4)C3)cs2)c1 ZINC000589209293 1036711090 /nfs/dbraw/zinc/71/10/90/1036711090.db2.gz BYKIDDMQEHNUEH-OAHLLOKOSA-N 1 0 343.452 4.340 20 5 EIBDRO C[C@@H](C[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000603057004 1036715140 /nfs/dbraw/zinc/71/51/40/1036715140.db2.gz YBAOMPHPVZFQBZ-QWHCGFSZSA-N 1 0 346.431 4.320 20 5 EIBDRO CCN(CC)[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000061015201 1036770247 /nfs/dbraw/zinc/77/02/47/1036770247.db2.gz VZJVTLJXTPZBSA-FQEVSTJZSA-N 1 0 341.455 4.076 20 5 EIBDRO COc1ccc(C(C)(C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000598997032 1036848296 /nfs/dbraw/zinc/84/82/96/1036848296.db2.gz SRWCTANNPCDAOK-UHFFFAOYSA-N 1 0 332.375 4.076 20 5 EIBDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000593676455 1036878337 /nfs/dbraw/zinc/87/83/37/1036878337.db2.gz JOXRBPWAQIBOEF-INIZCTEOSA-N 1 0 348.349 4.282 20 5 EIBDRO C[NH+](C)[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000603552440 1036882382 /nfs/dbraw/zinc/88/23/82/1036882382.db2.gz VXBDOWZIPQHDRY-CQSZACIVSA-N 1 0 325.821 4.025 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000545908384 1036960188 /nfs/dbraw/zinc/96/01/88/1036960188.db2.gz PQKDMGBSGUMINA-XAUMDUMWSA-N 1 0 340.423 4.474 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000545908382 1036962140 /nfs/dbraw/zinc/96/21/40/1036962140.db2.gz PQKDMGBSGUMINA-RIFZZMRRSA-N 1 0 340.423 4.474 20 5 EIBDRO CC[NH+](CC)Cc1ccc(CNc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000603844727 1037036815 /nfs/dbraw/zinc/03/68/15/1037036815.db2.gz RHJQHQVTWYEVAX-UHFFFAOYSA-N 1 0 327.428 4.357 20 5 EIBDRO O=[N+]([O-])c1cccc(OCC[N@H+](Cc2ccco2)C2CCCC2)c1 ZINC000603855367 1037051547 /nfs/dbraw/zinc/05/15/47/1037051547.db2.gz OFTSQOUJMWJUQT-UHFFFAOYSA-N 1 0 330.384 4.011 20 5 EIBDRO CCOc1cc(C[NH2+][C@H](c2ccccn2)C2CCC2)ccc1[N+](=O)[O-] ZINC000599574110 1037083364 /nfs/dbraw/zinc/08/33/64/1037083364.db2.gz OLALOTBOMGBLOZ-IBGZPJMESA-N 1 0 341.411 4.020 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCC3(CCCC3)O2)C2CC2)cc1 ZINC000570025191 1037379287 /nfs/dbraw/zinc/37/92/87/1037379287.db2.gz XBDMBPDMQAVHQO-SFHVURJKSA-N 1 0 330.428 4.051 20 5 EIBDRO CC(C)c1ccc(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)cc1[N+](=O)[O-] ZINC000592529448 1037825390 /nfs/dbraw/zinc/82/53/90/1037825390.db2.gz ZSTKHHDTTLTDRC-OAHLLOKOSA-N 1 0 332.444 4.109 20 5 EIBDRO C[C@@H]1SCC[C@H]1[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000592397134 1037970901 /nfs/dbraw/zinc/97/09/01/1037970901.db2.gz DCSWHYFUWSMWAJ-VHSSKADRSA-N 1 0 328.437 4.168 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000423361017 1038175317 /nfs/dbraw/zinc/17/53/17/1038175317.db2.gz WPYADNMIEUOXRT-ACJLOTCBSA-N 1 0 325.412 4.214 20 5 EIBDRO COc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000490034221 1038309730 /nfs/dbraw/zinc/30/97/30/1038309730.db2.gz UQIDPZIJPIELFS-HOTGVXAUSA-N 1 0 340.423 4.462 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000173403343 1038311521 /nfs/dbraw/zinc/31/15/21/1038311521.db2.gz QPIFCDCPRAHOFW-VLIAUNLRSA-N 1 0 336.391 4.132 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594490659 1038342993 /nfs/dbraw/zinc/34/29/93/1038342993.db2.gz OPRCQNYTWVWCNR-FZKQIMNGSA-N 1 0 326.396 4.332 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594490658 1038344191 /nfs/dbraw/zinc/34/41/91/1038344191.db2.gz OPRCQNYTWVWCNR-ACJLOTCBSA-N 1 0 326.396 4.332 20 5 EIBDRO CCCCCn1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000504393728 1038349369 /nfs/dbraw/zinc/34/93/69/1038349369.db2.gz JLASHQCGWUBGRT-AWEZNQCLSA-N 1 0 330.432 4.141 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cc1ccccn1 ZINC000594513598 1038357262 /nfs/dbraw/zinc/35/72/62/1038357262.db2.gz DQCLQCGQNNNHKU-HUUCEWRRSA-N 1 0 345.468 4.081 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000594519883 1038361346 /nfs/dbraw/zinc/36/13/46/1038361346.db2.gz MKXQIPFTNPACIV-HOCLYGCPSA-N 1 0 348.443 4.136 20 5 EIBDRO CCN(CC)[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000480764496 1038788066 /nfs/dbraw/zinc/78/80/66/1038788066.db2.gz BCFQRHNFBATWDV-KDOFPFPSSA-N 1 0 347.484 4.390 20 5 EIBDRO COc1ccc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000539054113 1038803512 /nfs/dbraw/zinc/80/35/12/1038803512.db2.gz MWJZFZWERZZSHN-LBPRGKRZSA-N 1 0 334.803 4.150 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000539063131 1038808609 /nfs/dbraw/zinc/80/86/09/1038808609.db2.gz SVFLSXQHRRKOEX-XGUBFFRZSA-N 1 0 338.473 4.011 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CC(C)(C)OC ZINC000504893376 1038839749 /nfs/dbraw/zinc/83/97/49/1038839749.db2.gz DZUDBRHWXXRVQY-KGLIPLIRSA-N 1 0 340.489 4.259 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000504906315 1038846314 /nfs/dbraw/zinc/84/63/14/1038846314.db2.gz WHZCMZKPPKLWJM-CYBMUJFWSA-N 1 0 332.375 4.026 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(O)cc1 ZINC000504912327 1038849482 /nfs/dbraw/zinc/84/94/82/1038849482.db2.gz UOUBDPPPFVLRJD-HNNXBMFYSA-N 1 0 346.452 4.003 20 5 EIBDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000537619621 1038954548 /nfs/dbraw/zinc/95/45/48/1038954548.db2.gz HQHFWUWTEWNRTK-OLZOCXBDSA-N 1 0 331.441 4.339 20 5 EIBDRO Cc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000505282600 1039188031 /nfs/dbraw/zinc/18/80/31/1039188031.db2.gz BQDOWFOFVPHSRU-SFHVURJKSA-N 1 0 325.412 4.416 20 5 EIBDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000513824801 1039302145 /nfs/dbraw/zinc/30/21/45/1039302145.db2.gz QYKUGTZMGDRPGD-NEWSRXKRSA-N 1 0 346.471 4.101 20 5 EIBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000481395266 1039380899 /nfs/dbraw/zinc/38/08/99/1039380899.db2.gz ZPQUKYCGRLFUID-PXAZEXFGSA-N 1 0 334.803 4.114 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]CCCO[C@H]2CCCc3ccccc32)cs1 ZINC000237973112 1039577531 /nfs/dbraw/zinc/57/75/31/1039577531.db2.gz ZDCTZZYEXMQHCO-KRWDZBQOSA-N 1 0 346.452 4.230 20 5 EIBDRO CCCC[C@H](CC)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000514088770 1039588277 /nfs/dbraw/zinc/58/82/77/1039588277.db2.gz MRZSOEYWNMUHIG-MAUKXSAKSA-N 1 0 344.459 4.224 20 5 EIBDRO C[C@@H](C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000478383237 1039729433 /nfs/dbraw/zinc/72/94/33/1039729433.db2.gz JUAMUWWLDWJHFM-LBPRGKRZSA-N 1 0 336.794 4.323 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCO2 ZINC000192640692 1039857480 /nfs/dbraw/zinc/85/74/80/1039857480.db2.gz MNIDTCZUZFABEX-PXAZEXFGSA-N 1 0 340.379 4.052 20 5 EIBDRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000551006312 1039866692 /nfs/dbraw/zinc/86/66/92/1039866692.db2.gz PLMZWKMOUKSCFZ-HLLBOEOZSA-N 1 0 348.443 4.148 20 5 EIBDRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000481952375 1039909579 /nfs/dbraw/zinc/90/95/79/1039909579.db2.gz URMLTJIVSHAMJQ-OXJNMPFZSA-N 1 0 341.455 4.165 20 5 EIBDRO COc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000481958554 1039912592 /nfs/dbraw/zinc/91/25/92/1039912592.db2.gz SOJBKODKPHEUST-GJZGRUSLSA-N 1 0 328.412 4.275 20 5 EIBDRO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000481952377 1039913995 /nfs/dbraw/zinc/91/39/95/1039913995.db2.gz URMLTJIVSHAMJQ-UZLBHIALSA-N 1 0 341.455 4.165 20 5 EIBDRO CO[C@@H](C)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482095678 1040010039 /nfs/dbraw/zinc/01/00/39/1040010039.db2.gz DGNQHAAFWYLIRG-STQMWFEESA-N 1 0 334.441 4.399 20 5 EIBDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000159987193 1040295553 /nfs/dbraw/zinc/29/55/53/1040295553.db2.gz UWUIFDVOTDPXJL-KGLIPLIRSA-N 1 0 344.411 4.332 20 5 EIBDRO C[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)C1 ZINC000535545428 1040347728 /nfs/dbraw/zinc/34/77/28/1040347728.db2.gz KLRZDAIRDNCPPC-KGLIPLIRSA-N 1 0 329.400 4.118 20 5 EIBDRO C[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000479468422 1040394714 /nfs/dbraw/zinc/39/47/14/1040394714.db2.gz SJEWVFYNUZSTRH-MRXNPFEDSA-N 1 0 339.439 4.162 20 5 EIBDRO Cc1cc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C2CC2)ccc1F ZINC000539423243 1040431737 /nfs/dbraw/zinc/43/17/37/1040431737.db2.gz FDIKVMDCFCOOAK-SFHVURJKSA-N 1 0 332.350 4.422 20 5 EIBDRO C[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(F)(F)F ZINC000479589541 1040498229 /nfs/dbraw/zinc/49/82/29/1040498229.db2.gz JBOWMGUNJYFEPQ-VIFPVBQESA-N 1 0 345.346 4.006 20 5 EIBDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000539507828 1040500064 /nfs/dbraw/zinc/50/00/64/1040500064.db2.gz JXZNTBLQQRDAIO-KSMMKXTCSA-N 1 0 346.402 4.469 20 5 EIBDRO C[C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(F)(F)F ZINC000479604348 1040504959 /nfs/dbraw/zinc/50/49/59/1040504959.db2.gz TVSYTDSAMSNSEQ-SNVBAGLBSA-N 1 0 328.290 4.143 20 5 EIBDRO CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@@H](C)C1 ZINC000443063647 1040509785 /nfs/dbraw/zinc/50/97/85/1040509785.db2.gz DLCYPOCNFNAOAV-XJKSGUPXSA-N 1 0 346.452 4.323 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)c(Cl)c1 ZINC000435752034 1040583801 /nfs/dbraw/zinc/58/38/01/1040583801.db2.gz VRUPEEJOJFGSSG-CTYIDZIISA-N 1 0 334.778 4.423 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000160557432 1040594991 /nfs/dbraw/zinc/59/49/91/1040594991.db2.gz QNTRQAGDXULEBB-ZDUSSCGKSA-N 1 0 346.452 4.371 20 5 EIBDRO CCSCC[C@@H](C)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089913167 1040604158 /nfs/dbraw/zinc/60/41/58/1040604158.db2.gz YWSDMVAQEKDXPW-CYBMUJFWSA-N 1 0 349.456 4.213 20 5 EIBDRO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000467336925 1040617863 /nfs/dbraw/zinc/61/78/63/1040617863.db2.gz ZBDPWQIRLNHDPC-IRXDYDNUSA-N 1 0 325.412 4.114 20 5 EIBDRO Cc1csc(CCCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000160677015 1040661379 /nfs/dbraw/zinc/66/13/79/1040661379.db2.gz RECHUWKEFNYWMP-AWEZNQCLSA-N 1 0 333.457 4.342 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCN(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000483131964 1040728032 /nfs/dbraw/zinc/72/80/32/1040728032.db2.gz DAANNDACFJSKOH-DLBZAZTESA-N 1 0 339.439 4.223 20 5 EIBDRO CCCCO[C@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC001167960104 1040807756 /nfs/dbraw/zinc/80/77/56/1040807756.db2.gz SCCZYVQSLMTJLU-IRXDYDNUSA-N 1 0 338.423 4.150 20 5 EIBDRO C[C@H]1CCSCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000483425030 1040849315 /nfs/dbraw/zinc/84/93/15/1040849315.db2.gz WXBRKWGFRZWBRA-ZDUSSCGKSA-N 1 0 332.425 4.182 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000483442374 1040861322 /nfs/dbraw/zinc/86/13/22/1040861322.db2.gz UWQMVKNBJRFMNL-KSSFIOAISA-N 1 0 340.423 4.289 20 5 EIBDRO Cc1ccc(C[NH2+]C[C@@H](C)Oc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000462737447 1040883719 /nfs/dbraw/zinc/88/37/19/1040883719.db2.gz WLDDNRVFHJLKBO-CYBMUJFWSA-N 1 0 334.803 4.114 20 5 EIBDRO COc1ccccc1/C=C/C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000462762289 1040900170 /nfs/dbraw/zinc/90/01/70/1040900170.db2.gz LNTHFLZYTZJQKO-RMKNXTFCSA-N 1 0 340.423 4.229 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)Oc2ccccc2F)cc1[N+](=O)[O-] ZINC000483613414 1040911537 /nfs/dbraw/zinc/91/15/37/1040911537.db2.gz JDNZOJHVYAYUFZ-ZIAGYGMSSA-N 1 0 332.375 4.160 20 5 EIBDRO COc1ccc(C[C@H](C)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1F ZINC000483637975 1040937049 /nfs/dbraw/zinc/93/70/49/1040937049.db2.gz IODRTYZDENUHAA-ZDUSSCGKSA-N 1 0 346.402 4.019 20 5 EIBDRO COc1ccc(O[C@H](C)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000483637425 1040937346 /nfs/dbraw/zinc/93/73/46/1040937346.db2.gz PAYZLBBTBZQUGW-HUUCEWRRSA-N 1 0 344.411 4.030 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000436233858 1040999542 /nfs/dbraw/zinc/99/95/42/1040999542.db2.gz VCDRECJOCVZANA-WBVHZDCISA-N 1 0 326.396 4.029 20 5 EIBDRO C[C@@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000436303984 1041073730 /nfs/dbraw/zinc/07/37/30/1041073730.db2.gz DFZBEIOIQNQOJG-JDSLSITLSA-N 1 0 332.350 4.470 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc3c(cccc3F)[nH]2)cc1[N+](=O)[O-] ZINC000436311706 1041099155 /nfs/dbraw/zinc/09/91/55/1041099155.db2.gz UAPPSXXFRBVJAO-LBPRGKRZSA-N 1 0 327.359 4.374 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CC)[C@@H]1CCCO1 ZINC000540140180 1041162668 /nfs/dbraw/zinc/16/26/68/1041162668.db2.gz JAEYSXWBWKMXPU-FMKPAKJESA-N 1 0 338.473 4.013 20 5 EIBDRO CCOc1cc(Cl)ccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000540145378 1041173002 /nfs/dbraw/zinc/17/30/02/1041173002.db2.gz UTKNAOJFVJRJGU-LBPRGKRZSA-N 1 0 334.803 4.498 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000540148973 1041176903 /nfs/dbraw/zinc/17/69/03/1041176903.db2.gz FXEPHJHWTBFRMW-JCGVRSQUSA-N 1 0 332.375 4.161 20 5 EIBDRO C[C@H]([NH2+]C1CCN(C)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000161412991 1041208532 /nfs/dbraw/zinc/20/85/32/1041208532.db2.gz CKJLYQVNAJYTFB-ZDUSSCGKSA-N 1 0 345.468 4.068 20 5 EIBDRO CCOc1cccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000540164543 1041228578 /nfs/dbraw/zinc/22/85/78/1041228578.db2.gz SUCRJCYISLIIEM-OAHLLOKOSA-N 1 0 328.412 4.195 20 5 EIBDRO Cc1nc(C)c([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000540186695 1041253042 /nfs/dbraw/zinc/25/30/42/1041253042.db2.gz JGNVZBKXVUBNPH-LBPRGKRZSA-N 1 0 333.457 4.342 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000540220159 1041285047 /nfs/dbraw/zinc/28/50/47/1041285047.db2.gz KHDAEMBMXFVKAH-WZFJYNIESA-N 1 0 326.396 4.199 20 5 EIBDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000554742575 1041372534 /nfs/dbraw/zinc/37/25/34/1041372534.db2.gz YCUSUOSSFCUWCB-NIKGAXFTSA-N 1 0 326.396 4.166 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 ZINC000540394495 1041428408 /nfs/dbraw/zinc/42/84/08/1041428408.db2.gz UCZNYMVNPZBVLU-KBPBESRZSA-N 1 0 342.395 4.168 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)C(F)(F)F ZINC000480665265 1041469870 /nfs/dbraw/zinc/46/98/70/1041469870.db2.gz OBTJOYMNZTUEMY-WDEREUQCSA-N 1 0 336.379 4.254 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCOCC34CCC4)s2)cc1 ZINC000538728461 1041497608 /nfs/dbraw/zinc/49/76/08/1041497608.db2.gz XZZXARRQYTWREH-UHFFFAOYSA-N 1 0 344.436 4.078 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000539021269 1041610787 /nfs/dbraw/zinc/61/07/87/1041610787.db2.gz YMFPQLHOFQPZGN-KBPBESRZSA-N 1 0 344.411 4.414 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000463752402 1041741327 /nfs/dbraw/zinc/74/13/27/1041741327.db2.gz YYHJZMXTSSJGOH-WTKPLQERSA-N 1 0 345.402 4.460 20 5 EIBDRO Cn1cccc1[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541070016 1041803285 /nfs/dbraw/zinc/80/32/85/1041803285.db2.gz PCGWCKYBQOCECU-KRWDZBQOSA-N 1 0 333.819 4.314 20 5 EIBDRO CCc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516980108 1041829230 /nfs/dbraw/zinc/82/92/30/1041829230.db2.gz TVQSLMOIAXXTAU-ROUUACIJSA-N 1 0 338.407 4.258 20 5 EIBDRO CCSCC[C@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000464051249 1041836809 /nfs/dbraw/zinc/83/68/09/1041836809.db2.gz ZUPYGQWSDHVGDC-ZDUSSCGKSA-N 1 0 334.441 4.476 20 5 EIBDRO CC[C@@H](C)[NH2+][C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)c1ccco1 ZINC000557695307 1041921341 /nfs/dbraw/zinc/92/13/41/1041921341.db2.gz VOSFQRMAQXZHAG-YGRLFVJLSA-N 1 0 339.342 4.007 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]CCCNc2ccccc2F)cc1[N+](=O)[O-] ZINC000541558930 1042000520 /nfs/dbraw/zinc/00/05/20/1042000520.db2.gz WDWMUNQJOWJANU-CQSZACIVSA-N 1 0 331.391 4.195 20 5 EIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000541602460 1042029777 /nfs/dbraw/zinc/02/97/77/1042029777.db2.gz CELHOMYJMRXCCK-HUUCEWRRSA-N 1 0 347.459 4.036 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)c(F)c1 ZINC000425965658 1042101577 /nfs/dbraw/zinc/10/15/77/1042101577.db2.gz JGCXTSFCVCDDGB-UHFFFAOYSA-N 1 0 346.324 4.479 20 5 EIBDRO C[C@H](Cc1ccccc1F)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000437793629 1042115931 /nfs/dbraw/zinc/11/59/31/1042115931.db2.gz NTTGIHKJMUWJLE-GFCCVEGCSA-N 1 0 336.794 4.151 20 5 EIBDRO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000464729242 1042143337 /nfs/dbraw/zinc/14/33/37/1042143337.db2.gz DDMQSTAPTZYJBE-KBXCAEBGSA-N 1 0 344.386 4.196 20 5 EIBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000506418510 1042394716 /nfs/dbraw/zinc/39/47/16/1042394716.db2.gz YXUDKGMZQWTAJV-OAHLLOKOSA-N 1 0 328.412 4.057 20 5 EIBDRO CC[NH+](CC)CCCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000518247798 1042428234 /nfs/dbraw/zinc/42/82/34/1042428234.db2.gz GUFMBEWQUKPXMV-UHFFFAOYSA-N 1 0 347.484 4.145 20 5 EIBDRO CC(C)COCCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491369403 1042435079 /nfs/dbraw/zinc/43/50/79/1042435079.db2.gz UHQFUBCDUVZBRR-FQEVSTJZSA-N 1 0 342.439 4.337 20 5 EIBDRO CCc1nc2c(s1)[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])CCC2 ZINC000271841582 1042436598 /nfs/dbraw/zinc/43/65/98/1042436598.db2.gz VZVHUQVGAUHWCY-WCQYABFASA-N 1 0 331.441 4.342 20 5 EIBDRO CC(C)[NH+](CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000518272200 1042446093 /nfs/dbraw/zinc/44/60/93/1042446093.db2.gz VXMFDGXCPVSHEN-UHFFFAOYSA-N 1 0 345.443 4.063 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](OC)c2ccccc2)cc1[N+](=O)[O-] ZINC000153120137 1042492713 /nfs/dbraw/zinc/49/27/13/1042492713.db2.gz BBTGNSQHGVZYQH-LIRRHRJNSA-N 1 0 344.411 4.032 20 5 EIBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000492223226 1042584580 /nfs/dbraw/zinc/58/45/80/1042584580.db2.gz KGZHTAYINVXCFH-CWFSZBLJSA-N 1 0 342.439 4.071 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000015291623 1042615663 /nfs/dbraw/zinc/61/56/63/1042615663.db2.gz KPERQMLBOFQQMM-SFHVURJKSA-N 1 0 326.396 4.113 20 5 EIBDRO CCOc1cc(C[N@H+](C)[C@H](C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000492377856 1042628343 /nfs/dbraw/zinc/62/83/43/1042628343.db2.gz QTLSBJKCIXLLFL-CYBMUJFWSA-N 1 0 332.375 4.326 20 5 EIBDRO CCOc1cc(C[N@H+](Cc2cccs2)C(C)C)ccc1[N+](=O)[O-] ZINC000492486339 1042675724 /nfs/dbraw/zinc/67/57/24/1042675724.db2.gz PWQZXRGVYFQQJW-UHFFFAOYSA-N 1 0 334.441 4.466 20 5 EIBDRO CO[C@@H](C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000493038869 1042799200 /nfs/dbraw/zinc/79/92/00/1042799200.db2.gz WXSTWKWVMNJIFN-RBUKOAKNSA-N 1 0 342.439 4.335 20 5 EIBDRO C[C@@H]1C[C@H](C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000493105095 1042819522 /nfs/dbraw/zinc/81/95/22/1042819522.db2.gz OLQSWHBVYFPZJM-QINHECLXSA-N 1 0 340.423 4.089 20 5 EIBDRO CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761527382 1042875793 /nfs/dbraw/zinc/87/57/93/1042875793.db2.gz UTGQFUXEXCLFKG-BBRMVZONSA-N 1 0 340.851 4.179 20 5 EIBDRO COc1ccc([C@@H]2CC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000441535010 1042878518 /nfs/dbraw/zinc/87/85/18/1042878518.db2.gz OKBOXZCWPPBQGD-GDBMZVCRSA-N 1 0 326.396 4.154 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@H]2CCCSC2)c2ccccc2)c1 ZINC000493249572 1042889272 /nfs/dbraw/zinc/88/92/72/1042889272.db2.gz QITBWCUUWYTCRB-WMZOPIPTSA-N 1 0 328.437 4.169 20 5 EIBDRO Cc1cccnc1[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000520609565 1042931260 /nfs/dbraw/zinc/93/12/60/1042931260.db2.gz JKIBMHBDDAUBAQ-WMZOPIPTSA-N 1 0 325.412 4.272 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(C)cc(C)cc1C ZINC000507935269 1043193878 /nfs/dbraw/zinc/19/38/78/1043193878.db2.gz WONXQUJDHCVLLZ-UHFFFAOYSA-N 1 0 328.412 4.209 20 5 EIBDRO CCOC[C@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000427863745 1043239524 /nfs/dbraw/zinc/23/95/24/1043239524.db2.gz JCSMWBJJFIXWGG-QWHCGFSZSA-N 1 0 334.441 4.399 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1c(C)nn(C)c1C ZINC000133754987 1043300940 /nfs/dbraw/zinc/30/09/40/1043300940.db2.gz OFKXGVBLSMKHRI-WBMJQRKESA-N 1 0 330.432 4.055 20 5 EIBDRO C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000338789933 1043323695 /nfs/dbraw/zinc/32/36/95/1043323695.db2.gz VRZMTIMMDNJYAE-NXEZDXNNSA-N 1 0 332.444 4.156 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[N@H+](Cc2ccco2)Cc2ccccc2)cc1 ZINC000059384454 1043357650 /nfs/dbraw/zinc/35/76/50/1043357650.db2.gz OJFOISYZNNBCCY-UHFFFAOYSA-N 1 0 336.391 4.433 20 5 EIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000730062417 1043438450 /nfs/dbraw/zinc/43/84/50/1043438450.db2.gz OGZXKNOJMSNNCJ-INIZCTEOSA-N 1 0 328.387 4.189 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000609195378 1043448664 /nfs/dbraw/zinc/44/86/64/1043448664.db2.gz CMTHMPPCUFUSRV-LJQANCHMSA-N 1 0 328.387 4.407 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCOC2CCCCC2)o1 ZINC000520957700 1043458910 /nfs/dbraw/zinc/45/89/10/1043458910.db2.gz UFLNHLQMVIICEI-UHFFFAOYSA-N 1 0 344.411 4.294 20 5 EIBDRO CCN(CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(C)C ZINC000520964352 1043465377 /nfs/dbraw/zinc/46/53/77/1043465377.db2.gz UDWQWSJDYBUEOF-UHFFFAOYSA-N 1 0 347.484 4.143 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@@H]2C2CC2)cc(C(F)(F)F)c1 ZINC000494511101 1043527605 /nfs/dbraw/zinc/52/76/05/1043527605.db2.gz NPBMBDWCIFTZIL-CABCVRRESA-N 1 0 328.334 4.282 20 5 EIBDRO CCc1cccc2c(CC[NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)c[nH]c21 ZINC000521174733 1043612964 /nfs/dbraw/zinc/61/29/64/1043612964.db2.gz IOOOARMUHLJYQD-UHFFFAOYSA-N 1 0 337.423 4.279 20 5 EIBDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000494618023 1043843151 /nfs/dbraw/zinc/84/31/51/1043843151.db2.gz HAIXTLBFLLMRFR-UZLBHIALSA-N 1 0 342.439 4.283 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC[C@@H]1OC ZINC000442817072 1043854266 /nfs/dbraw/zinc/85/42/66/1043854266.db2.gz YHAINJVYSWHBHO-YCPHGPKFSA-N 1 0 338.473 4.013 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)cc1 ZINC000442862223 1043865208 /nfs/dbraw/zinc/86/52/08/1043865208.db2.gz FKHGNPBPJLDJAF-MRXNPFEDSA-N 1 0 349.434 4.156 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000245382460 1043879454 /nfs/dbraw/zinc/87/94/54/1043879454.db2.gz JIYCEESDFLUFNN-WFGGJUAMSA-N 1 0 344.415 4.120 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H]4CCC[C@H]43)o2)c1 ZINC000245450674 1043898884 /nfs/dbraw/zinc/89/88/84/1043898884.db2.gz OVWDZDQDARQAOM-RHSMWYFYSA-N 1 0 341.411 4.057 20 5 EIBDRO C[C@H]([NH2+]C[C@H]1CCCO[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245471919 1043925633 /nfs/dbraw/zinc/92/56/33/1043925633.db2.gz YIIZEUYZBVQOPO-CVAIRZPRSA-N 1 0 340.423 4.413 20 5 EIBDRO Cc1csc([C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000245525162 1043964666 /nfs/dbraw/zinc/96/46/66/1043964666.db2.gz DYZNEFPXTLJCES-OFQRWUPVSA-N 1 0 345.468 4.422 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000040675853 1043996633 /nfs/dbraw/zinc/99/66/33/1043996633.db2.gz HIWKWHFCTOXYMQ-UHFFFAOYSA-N 1 0 325.195 4.234 20 5 EIBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000521840190 1044031841 /nfs/dbraw/zinc/03/18/41/1044031841.db2.gz FPESZFHFUHGFJC-MRXNPFEDSA-N 1 0 340.423 4.374 20 5 EIBDRO CC(C)(NCc1csc(-c2ccoc2)n1)c1ccccc1[N+](=O)[O-] ZINC000429255633 1044358092 /nfs/dbraw/zinc/35/80/92/1044358092.db2.gz IBVUNILMZHJNOE-UHFFFAOYSA-N 1 0 343.408 4.336 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3CCCCC3)cs2)c1 ZINC000522196091 1044370010 /nfs/dbraw/zinc/37/00/10/1044370010.db2.gz PERFCXRUWWWOGD-UHFFFAOYSA-N 1 0 331.441 4.388 20 5 EIBDRO C[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)C ZINC000734508331 1044590468 /nfs/dbraw/zinc/59/04/68/1044590468.db2.gz ILQMOESGYJFTIE-GFCCVEGCSA-N 1 0 333.457 4.490 20 5 EIBDRO C[N@@H+]1CCC[C@H](CNc2sccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301998249 1044662046 /nfs/dbraw/zinc/66/20/46/1044662046.db2.gz IFRBMDFWHJLNBH-RISCZKNCSA-N 1 0 337.470 4.213 20 5 EIBDRO C[C@@]1(c2nc(-c3cc4ccccc4c4ccccc34)no2)CC[NH2+]C1 ZINC001212200734 1044669591 /nfs/dbraw/zinc/66/95/91/1044669591.db2.gz VYMMHWKGHHRYDS-OAQYLSRUSA-N 1 0 329.403 4.294 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000154037890 1044721726 /nfs/dbraw/zinc/72/17/26/1044721726.db2.gz YIWHPRVPRJDNMM-CRAIPNDOSA-N 1 0 343.427 4.066 20 5 EIBDRO C[S@@](=O)CC[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC000735085334 1044741678 /nfs/dbraw/zinc/74/16/78/1044741678.db2.gz SNOVIVKMGQLLLQ-JOCHJYFZSA-N 1 0 331.868 4.115 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000237312946 1044833220 /nfs/dbraw/zinc/83/32/20/1044833220.db2.gz BXBFTAHTOQCOBF-GJZGRUSLSA-N 1 0 328.412 4.281 20 5 EIBDRO CC(C)C[NH+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc([N+](=O)[O-])c1 ZINC000914866048 1044839666 /nfs/dbraw/zinc/83/96/66/1044839666.db2.gz FHMWKNLBNZVDNW-UHFFFAOYSA-N 1 0 343.383 4.161 20 5 EIBDRO CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)Cc1ccccn1 ZINC000543623784 1044970310 /nfs/dbraw/zinc/97/03/10/1044970310.db2.gz LHDZFAIWPQYEDI-UHFFFAOYSA-N 1 0 339.420 4.350 20 5 EIBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1N(C)C ZINC000495415513 1045067946 /nfs/dbraw/zinc/06/79/46/1045067946.db2.gz QTUCPBBGUKPZTN-ZDUSSCGKSA-N 1 0 347.846 4.208 20 5 EIBDRO Cc1cc(N2CCc3sccc3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302143335 1045163537 /nfs/dbraw/zinc/16/35/37/1045163537.db2.gz FYJBLHRIHTWTQW-UHFFFAOYSA-N 1 0 325.393 4.076 20 5 EIBDRO Cc1cc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301060904 1045213343 /nfs/dbraw/zinc/21/33/43/1045213343.db2.gz DGPRJJXPSBDKGA-UHFFFAOYSA-N 1 0 343.402 4.119 20 5 EIBDRO COc1ncc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1Cl ZINC000611031957 1045245148 /nfs/dbraw/zinc/24/51/48/1045245148.db2.gz RABDRNVYFCLNSZ-UHFFFAOYSA-N 1 0 349.818 4.062 20 5 EIBDRO Cc1ccc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000611271994 1045270770 /nfs/dbraw/zinc/27/07/70/1045270770.db2.gz FJLGHOJMMYMVMZ-GOSISDBHSA-N 1 0 328.437 4.193 20 5 EIBDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000611293169 1045275084 /nfs/dbraw/zinc/27/50/84/1045275084.db2.gz VEZNWKXRPOWOLI-CQSZACIVSA-N 1 0 337.379 4.409 20 5 EIBDRO CC(C)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CCCCO1 ZINC000611336746 1045282862 /nfs/dbraw/zinc/28/28/62/1045282862.db2.gz AUYFIYMUNWZMMI-IEBWSBKVSA-N 1 0 346.471 4.101 20 5 EIBDRO CO[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000611336750 1045284148 /nfs/dbraw/zinc/28/41/48/1045284148.db2.gz BTMRIVFVSZOLFQ-SJCJKPOMSA-N 1 0 334.803 4.287 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(C)(C)O ZINC000611470313 1045314748 /nfs/dbraw/zinc/31/47/48/1045314748.db2.gz XMMZUJLPJVYFGU-NWDGAFQWSA-N 1 0 334.441 4.133 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCCCO1 ZINC000611471787 1045316060 /nfs/dbraw/zinc/31/60/60/1045316060.db2.gz MIMFBTCLIGEHMR-GUYCJALGSA-N 1 0 346.452 4.371 20 5 EIBDRO COc1cccc(C2([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000272335472 1045417060 /nfs/dbraw/zinc/41/70/60/1045417060.db2.gz YTZYXOPNPWKCMA-AWEZNQCLSA-N 1 0 326.396 4.252 20 5 EIBDRO CCC1CCC([N@H+](CCO)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001169971715 1045614474 /nfs/dbraw/zinc/61/44/74/1045614474.db2.gz WSKOFELSSGQRIZ-UHFFFAOYSA-N 1 0 340.851 4.011 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000194350748 1045719715 /nfs/dbraw/zinc/71/97/15/1045719715.db2.gz PYCAXQRBVSGKTL-OLZOCXBDSA-N 1 0 330.384 4.024 20 5 EIBDRO c1ccc2c(c1)cc1ccccc1c2C[NH+]1CCC2(CC1)OCCO2 ZINC000768239169 1045751447 /nfs/dbraw/zinc/75/14/47/1045751447.db2.gz HNCMBUPIUVTKDV-UHFFFAOYSA-N 1 0 333.431 4.332 20 5 EIBDRO COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000326367036 1045798844 /nfs/dbraw/zinc/79/88/44/1045798844.db2.gz IUCLNFFZRWTMRZ-GOSISDBHSA-N 1 0 326.396 4.079 20 5 EIBDRO C[C@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000130627708 1045810895 /nfs/dbraw/zinc/81/08/95/1045810895.db2.gz PCWVLBCNZCHKHD-LBPRGKRZSA-N 1 0 333.457 4.242 20 5 EIBDRO O=[N+]([O-])c1cc(C[N@H+](Cc2cccc(O)c2)CC2CC2)ccc1Cl ZINC000768541212 1045818554 /nfs/dbraw/zinc/81/85/54/1045818554.db2.gz GHWIYSWFBIHSDT-UHFFFAOYSA-N 1 0 346.814 4.366 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)CCc2ccccc2)c([N+](=O)[O-])c1 ZINC001170293968 1045978336 /nfs/dbraw/zinc/97/83/36/1045978336.db2.gz NVWUYEKEPQDYDZ-CVEARBPZSA-N 1 0 342.439 4.145 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cc(Cl)ccc2C)c([N+](=O)[O-])c1 ZINC001170295777 1045980951 /nfs/dbraw/zinc/98/09/51/1045980951.db2.gz FCEZVLZYDDGNAG-CYBMUJFWSA-N 1 0 348.830 4.286 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2cccc(C)c2)c([N+](=O)[O-])c1 ZINC001170296665 1045983223 /nfs/dbraw/zinc/98/32/23/1045983223.db2.gz HLJLNEPQSQPQFH-GJZGRUSLSA-N 1 0 328.412 4.194 20 5 EIBDRO COc1ccc(C[C@@H](C)NC(=[NH2+])C2CCCCCC2)c([N+](=O)[O-])c1 ZINC001170305647 1045984176 /nfs/dbraw/zinc/98/41/76/1045984176.db2.gz OLOCUKGYUSTSML-CYBMUJFWSA-N 1 0 333.432 4.072 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1F ZINC001170304714 1045985384 /nfs/dbraw/zinc/98/53/84/1045985384.db2.gz GDOWXNZLFJYNHJ-ACJLOTCBSA-N 1 0 346.402 4.414 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cccc(C3CC3)c2)c([N+](=O)[O-])c1 ZINC001170317908 1045995905 /nfs/dbraw/zinc/99/59/05/1045995905.db2.gz MBBSZGBQZKRXKS-AWEZNQCLSA-N 1 0 340.423 4.202 20 5 EIBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC001170348041 1046024440 /nfs/dbraw/zinc/02/44/40/1046024440.db2.gz VGIUJLFQDJMDKK-DNVCBOLYSA-N 1 0 340.423 4.372 20 5 EIBDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1C ZINC001170424270 1046119098 /nfs/dbraw/zinc/11/90/98/1046119098.db2.gz LZNBSDCRFWLRRW-GOSISDBHSA-N 1 0 340.423 4.291 20 5 EIBDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1c3ccccc3cc3ccccc31)CCO2 ZINC000793230987 1046178186 /nfs/dbraw/zinc/17/81/86/1046178186.db2.gz JADHVZCSERKNQR-UZUQRXQVSA-N 1 0 347.458 4.373 20 5 EIBDRO CCOc1cc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC001170452903 1046529454 /nfs/dbraw/zinc/52/94/54/1046529454.db2.gz FORVYQUJZHHUAS-UHFFFAOYSA-N 1 0 335.448 4.057 20 5 EIBDRO COc1cccc(C[C@H](C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000497326337 1046602477 /nfs/dbraw/zinc/60/24/77/1046602477.db2.gz SJCNOFUKLPLTQZ-HNNXBMFYSA-N 1 0 342.439 4.448 20 5 EIBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000536669399 1046619594 /nfs/dbraw/zinc/61/95/94/1046619594.db2.gz BBCSBTCDRCCQQG-SWLSCSKDSA-N 1 0 331.441 4.339 20 5 EIBDRO Cc1cc(N2CCC([NH+]3CCCCC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000785757239 1046747005 /nfs/dbraw/zinc/74/70/05/1046747005.db2.gz QQCKAWUNSVEQRQ-UHFFFAOYSA-N 1 0 337.851 4.011 20 5 EIBDRO C[C@H](CO)CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000536837532 1046812733 /nfs/dbraw/zinc/81/27/33/1046812733.db2.gz HADRQTJVHSYJFW-KBPBESRZSA-N 1 0 348.468 4.383 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000536912134 1046863323 /nfs/dbraw/zinc/86/33/23/1046863323.db2.gz YBWJZYIYTOJCIA-PJHJGJPPSA-N 1 0 326.396 4.199 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C[C@H](O)c1ccccc1 ZINC000786820895 1046875369 /nfs/dbraw/zinc/87/53/69/1046875369.db2.gz MHKASDINDPWCOJ-OUAFYBQWSA-N 1 0 340.423 4.100 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC1 ZINC000459802095 1046892846 /nfs/dbraw/zinc/89/28/46/1046892846.db2.gz LZJIAXIAOVSMGJ-WBMJQRKESA-N 1 0 344.415 4.264 20 5 EIBDRO CC(C)[C@@H](Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)c1ccc(F)cc1 ZINC001170068687 1046918275 /nfs/dbraw/zinc/91/82/75/1046918275.db2.gz WZJHRODRNLOZNF-GOSISDBHSA-N 1 0 329.375 4.146 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(c2ccccc2)CCCC1 ZINC000537096602 1046926729 /nfs/dbraw/zinc/92/67/29/1046926729.db2.gz DGSJBEPADZSWMJ-UHFFFAOYSA-N 1 0 326.396 4.163 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2cc([N+](=O)[O-])ccc21 ZINC000788592928 1047241649 /nfs/dbraw/zinc/24/16/49/1047241649.db2.gz UJCOLMCLFAWNLU-MRXNPFEDSA-N 1 0 341.367 4.015 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000788601388 1047243389 /nfs/dbraw/zinc/24/33/89/1047243389.db2.gz JEXZXYZOEXOBES-MGPLVRAMSA-N 1 0 335.354 4.257 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000788601389 1047244160 /nfs/dbraw/zinc/24/41/60/1047244160.db2.gz JEXZXYZOEXOBES-QFYYESIMSA-N 1 0 335.354 4.257 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C(C)C)[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000788625252 1047254333 /nfs/dbraw/zinc/25/43/33/1047254333.db2.gz ZPSXIJOHWXMGDJ-SLFFLAALSA-N 1 0 342.439 4.394 20 5 EIBDRO CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788639980 1047256932 /nfs/dbraw/zinc/25/69/32/1047256932.db2.gz DWWSPTMDSJBHTK-KGLIPLIRSA-N 1 0 343.427 4.376 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccc(Cl)nc32)cc1[N+](=O)[O-] ZINC000788666734 1047266843 /nfs/dbraw/zinc/26/68/43/1047266843.db2.gz SGHAJVBARPGHQV-SMDDNHRTSA-N 1 0 331.803 4.290 20 5 EIBDRO CSc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788821974 1047317986 /nfs/dbraw/zinc/31/79/86/1047317986.db2.gz HCFFIRBVLSQHAP-VXGBXAGGSA-N 1 0 331.441 4.311 20 5 EIBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000537468155 1047398239 /nfs/dbraw/zinc/39/82/39/1047398239.db2.gz WIPBWVSECHRJGX-SFHVURJKSA-N 1 0 332.444 4.109 20 5 EIBDRO C[N@H+](CCCCOC(C)(C)C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000789330782 1047403802 /nfs/dbraw/zinc/40/38/02/1047403802.db2.gz PMNXYLPEKIYHKF-UHFFFAOYSA-N 1 0 328.840 4.275 20 5 EIBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](O)c1ccccc1 ZINC000789779469 1047474178 /nfs/dbraw/zinc/47/41/78/1047474178.db2.gz PZHRCFXPUOZYER-ZWKOTPCHSA-N 1 0 348.830 4.096 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](c3ccncc3)C3CC3)o2)cc1 ZINC000898327084 1047618764 /nfs/dbraw/zinc/61/87/64/1047618764.db2.gz ZTZKOYOCOJJDBR-HXUWFJFHSA-N 1 0 349.390 4.491 20 5 EIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)F ZINC000325079853 1047730525 /nfs/dbraw/zinc/73/05/25/1047730525.db2.gz IFXVLJQRQBILOP-GFCCVEGCSA-N 1 0 336.338 4.090 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000089513311 1047775393 /nfs/dbraw/zinc/77/53/93/1047775393.db2.gz PATISQSCBOXVJE-INIZCTEOSA-N 1 0 332.787 4.252 20 5 EIBDRO Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CCCO2 ZINC000089512273 1047777365 /nfs/dbraw/zinc/77/73/65/1047777365.db2.gz IDLKMOBLCUGTDM-KRWDZBQOSA-N 1 0 326.396 4.215 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000824462978 1047877949 /nfs/dbraw/zinc/87/79/49/1047877949.db2.gz WMBXADYTVJHWRE-ZDUSSCGKSA-N 1 0 343.383 4.477 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ccc4c(c3)COC4)C2)cc1 ZINC000824820819 1047961866 /nfs/dbraw/zinc/96/18/66/1047961866.db2.gz OBCWIZGWJAPHKD-QGZVFWFLSA-N 1 0 338.407 4.005 20 5 EIBDRO C[C@@]1(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000824968209 1048011612 /nfs/dbraw/zinc/01/16/12/1048011612.db2.gz BGSLPMPRTRJKSC-KXQLTZBTSA-N 1 0 329.227 4.172 20 5 EIBDRO C[C@]1(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000824968217 1048011781 /nfs/dbraw/zinc/01/17/81/1048011781.db2.gz BGSLPMPRTRJKSC-YVZNUBBCSA-N 1 0 329.227 4.172 20 5 EIBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000747524156 1048053131 /nfs/dbraw/zinc/05/31/31/1048053131.db2.gz XSMAUAUYXVYSJN-UHFFFAOYSA-N 1 0 347.418 4.386 20 5 EIBDRO OC[C@@H]1C[NH2+]C[C@@H]1Nc1c2ccccc2cc2c3ccccc3ccc21 ZINC001170785628 1048466669 /nfs/dbraw/zinc/46/66/69/1048466669.db2.gz YGTNMXXUCWSQHF-JTSKRJEESA-N 1 0 342.442 4.138 20 5 EIBDRO CCOc1cc(Cl)ccc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815598416 1048531303 /nfs/dbraw/zinc/53/13/03/1048531303.db2.gz URKYGRWMAMASQG-LLVKDONJSA-N 1 0 349.818 4.080 20 5 EIBDRO C[C@](Cc1ccccc1)([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC001171156751 1048557888 /nfs/dbraw/zinc/55/78/88/1048557888.db2.gz OJMWDDFFYFBMOC-OAQYLSRUSA-N 1 0 347.418 4.238 20 5 EIBDRO C[C@@]1(CCCO)CCCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809969729 1048576416 /nfs/dbraw/zinc/57/64/16/1048576416.db2.gz ZJUHGHZHRICYIG-HNNXBMFYSA-N 1 0 347.242 4.029 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001170594248 1048583759 /nfs/dbraw/zinc/58/37/59/1048583759.db2.gz RZVSYCIPXREJKA-CZUORRHYSA-N 1 0 346.814 4.463 20 5 EIBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cc4cc[nH]c4c([N+](=O)[O-])c3)c2c1 ZINC001171170511 1048617264 /nfs/dbraw/zinc/61/72/64/1048617264.db2.gz YDDDSTNAJSHDIJ-CYBMUJFWSA-N 1 0 348.406 4.218 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000846103218 1048820730 /nfs/dbraw/zinc/82/07/30/1048820730.db2.gz UJTUHWNWMCBGML-ACVFHECNSA-N 1 0 329.227 4.172 20 5 EIBDRO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000609432215 1049061477 /nfs/dbraw/zinc/06/14/77/1049061477.db2.gz UGBDGKVVWURTOM-CQSZACIVSA-N 1 0 346.402 4.196 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCCCS1 ZINC000811488625 1049085796 /nfs/dbraw/zinc/08/57/96/1049085796.db2.gz GCPHWWZIZIVFES-NSHDSACASA-N 1 0 335.256 4.277 20 5 EIBDRO O=[N+]([O-])c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000609513066 1049124222 /nfs/dbraw/zinc/12/42/22/1049124222.db2.gz OGTNAASTOUPUHP-MQVJKMGUSA-N 1 0 343.452 4.264 20 5 EIBDRO CC[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000609625740 1049212458 /nfs/dbraw/zinc/21/24/58/1049212458.db2.gz XFBMQZWPLYMKNZ-KRWDZBQOSA-N 1 0 326.396 4.113 20 5 EIBDRO COc1ccccc1[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000609626471 1049212904 /nfs/dbraw/zinc/21/29/04/1049212904.db2.gz ZDTZNFYWOYQMDW-IBGZPJMESA-N 1 0 340.423 4.373 20 5 EIBDRO Cc1ccc(C)c(OC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000064486346 1049243588 /nfs/dbraw/zinc/24/35/88/1049243588.db2.gz IXESZOSHRKHYCW-UHFFFAOYSA-N 1 0 340.423 4.255 20 5 EIBDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000609846422 1049354554 /nfs/dbraw/zinc/35/45/54/1049354554.db2.gz BYCPZTAHEAYHHP-HXUWFJFHSA-N 1 0 339.439 4.040 20 5 EIBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000610002008 1049467835 /nfs/dbraw/zinc/46/78/35/1049467835.db2.gz TUTPRUXSCGAYIM-CJNGLKHVSA-N 1 0 344.415 4.045 20 5 EIBDRO COc1ccc(C[N@@H+]2C[C@H](c3ccccc3C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000610001846 1049468453 /nfs/dbraw/zinc/46/84/53/1049468453.db2.gz FSVAOAYWJIJSCN-DOTOQJQBSA-N 1 0 340.423 4.290 20 5 EIBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000610002009 1049469466 /nfs/dbraw/zinc/46/94/66/1049469466.db2.gz TUTPRUXSCGAYIM-CZUORRHYSA-N 1 0 344.415 4.045 20 5 EIBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1cc([N+](=O)[O-])ccc1Cl ZINC001170682652 1049528258 /nfs/dbraw/zinc/52/82/58/1049528258.db2.gz QEHHEAVYTFVCMG-NSHDSACASA-N 1 0 342.786 4.121 20 5 EIBDRO CC(C)CC[C@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000610137684 1049545820 /nfs/dbraw/zinc/54/58/20/1049545820.db2.gz YNTSWEQXZWSEAQ-IBGZPJMESA-N 1 0 346.427 4.132 20 5 EIBDRO CC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCCC1 ZINC000773040790 1049546868 /nfs/dbraw/zinc/54/68/68/1049546868.db2.gz NZDPPNSKJCTGEK-UHFFFAOYSA-N 1 0 331.460 4.124 20 5 EIBDRO CCC[C@H]([NH2+]C[C@H](O)c1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000773062181 1049556292 /nfs/dbraw/zinc/55/62/92/1049556292.db2.gz AUQZEMAQZOMISV-OALUTQOASA-N 1 0 328.412 4.068 20 5 EIBDRO CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000036819298 1049634686 /nfs/dbraw/zinc/63/46/86/1049634686.db2.gz HBKCZZSWZXFAQF-UHFFFAOYSA-N 1 0 339.189 4.117 20 5 EIBDRO CC(C)([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000037128957 1049660384 /nfs/dbraw/zinc/66/03/84/1049660384.db2.gz WEONECSCMOWJTD-UHFFFAOYSA-N 1 0 349.228 4.382 20 5 EIBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(C2CCCCC2)CC1 ZINC001171778603 1049796063 /nfs/dbraw/zinc/79/60/63/1049796063.db2.gz OVRBAJUTJGIBAL-UHFFFAOYSA-N 1 0 332.444 4.266 20 5 EIBDRO O=[N+]([O-])c1ncccc1CN1CCc2ccc(-c3ccccc3)cc2C1 ZINC001170710436 1049807195 /nfs/dbraw/zinc/80/71/95/1049807195.db2.gz JHVKNLYSKATCGZ-UHFFFAOYSA-N 1 0 345.402 4.215 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@H](c1ccnn1C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000615966784 1049823604 /nfs/dbraw/zinc/82/36/04/1049823604.db2.gz IGRMGJGCQVMLHH-ZWKOTPCHSA-N 1 0 344.459 4.199 20 5 EIBDRO O=[N+]([O-])c1cc(F)c(Nc2cccc(CC[NH+]3CCCC3)c2)c(F)c1 ZINC001185827599 1050166527 /nfs/dbraw/zinc/16/65/27/1050166527.db2.gz NDZAQPMGIXKISJ-UHFFFAOYSA-N 1 0 347.365 4.255 20 5 EIBDRO CC[N@H+](CCC1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1)CC1CC1 ZINC001185922201 1050195170 /nfs/dbraw/zinc/19/51/70/1050195170.db2.gz IXVQQVRZULIJOX-UHFFFAOYSA-N 1 0 349.450 4.072 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNc1ccc(C[NH+]2CCCC2)cc1 ZINC001177381973 1050199393 /nfs/dbraw/zinc/19/93/93/1050199393.db2.gz CGLVNSLTVMMZNW-UHFFFAOYSA-N 1 0 339.439 4.420 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc3ncccc3c1)CC2 ZINC001172899992 1050202974 /nfs/dbraw/zinc/20/29/74/1050202974.db2.gz QZHCZADECRSQMW-IBGZPJMESA-N 1 0 347.418 4.180 20 5 EIBDRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900560 1050205234 /nfs/dbraw/zinc/20/52/34/1050205234.db2.gz VSXNOHFNGFHGGN-LIRRHRJNSA-N 1 0 342.414 4.202 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cncc(Cl)c1 ZINC001172907626 1050207774 /nfs/dbraw/zinc/20/77/74/1050207774.db2.gz UKWDPJHEGBOOMB-PXAZEXFGSA-N 1 0 345.830 4.241 20 5 EIBDRO CCCC[C@@H](C)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173013037 1050262725 /nfs/dbraw/zinc/26/27/25/1050262725.db2.gz NSQHXNZWFVFEOX-GFCCVEGCSA-N 1 0 341.402 4.010 20 5 EIBDRO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1(C)C ZINC001177967829 1050333788 /nfs/dbraw/zinc/33/37/88/1050333788.db2.gz QKSJPOODFMXLGU-QZTJIDSGSA-N 1 0 334.460 4.285 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1OC ZINC001173217929 1050349714 /nfs/dbraw/zinc/34/97/14/1050349714.db2.gz HUNITURAMGFCDA-KSSFIOAISA-N 1 0 328.412 4.275 20 5 EIBDRO CC(C)Oc1cccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173215577 1050350342 /nfs/dbraw/zinc/35/03/42/1050350342.db2.gz WXQUZEOGYNUHMB-HNNXBMFYSA-N 1 0 328.412 4.103 20 5 EIBDRO Cc1c(C)n([C@H](C)Cc2ccc([N+](=O)[O-])cc2)c2ccc(C[NH3+])cc12 ZINC001173215365 1050350560 /nfs/dbraw/zinc/35/05/60/1050350560.db2.gz VLWMXVDKATUWEY-CYBMUJFWSA-N 1 0 337.423 4.429 20 5 EIBDRO CC(C)Oc1cccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173215578 1050350832 /nfs/dbraw/zinc/35/08/32/1050350832.db2.gz WXQUZEOGYNUHMB-OAHLLOKOSA-N 1 0 328.412 4.103 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC001173218460 1050353679 /nfs/dbraw/zinc/35/36/79/1050353679.db2.gz BAKIPCZYDWAMLH-CQSZACIVSA-N 1 0 328.387 4.030 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(Cc2cccc(F)c2)CC1 ZINC001173223390 1050354454 /nfs/dbraw/zinc/35/44/54/1050354454.db2.gz IHGKQUSHQBOUPJ-AWEZNQCLSA-N 1 0 328.387 4.030 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCOc2ccc(Cl)cc21 ZINC001173224331 1050354897 /nfs/dbraw/zinc/35/48/97/1050354897.db2.gz DQVIMBPXUQGAFG-YVEFUNNKSA-N 1 0 346.814 4.293 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCOc2ccc(Cl)cc21 ZINC001173224327 1050355071 /nfs/dbraw/zinc/35/50/71/1050355071.db2.gz DQVIMBPXUQGAFG-SJCJKPOMSA-N 1 0 346.814 4.293 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(Cc2cccc(F)c2)CCC1 ZINC001173224085 1050355222 /nfs/dbraw/zinc/35/52/22/1050355222.db2.gz LOGLBYVPBZSPFB-HNNXBMFYSA-N 1 0 342.414 4.420 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCOc2ccc(Cl)cc21 ZINC001173224329 1050355539 /nfs/dbraw/zinc/35/55/39/1050355539.db2.gz DQVIMBPXUQGAFG-SJKOYZFVSA-N 1 0 346.814 4.293 20 5 EIBDRO COc1ccccc1C1([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001173221477 1050355646 /nfs/dbraw/zinc/35/56/46/1050355646.db2.gz NLPUMTHSIZXYQN-HNNXBMFYSA-N 1 0 340.423 4.203 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C)CCC(F)(F)CC1 ZINC001173226222 1050356195 /nfs/dbraw/zinc/35/61/95/1050356195.db2.gz WDSIYRSHXILACE-CYBMUJFWSA-N 1 0 326.387 4.331 20 5 EIBDRO COc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173225491 1050356294 /nfs/dbraw/zinc/35/62/94/1050356294.db2.gz CMGVGEQBMYWUDM-YWZLYKJASA-N 1 0 340.423 4.372 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Oc2ccccc2)CC1 ZINC001173224883 1050356551 /nfs/dbraw/zinc/35/65/51/1050356551.db2.gz HPXWRCMLUJWDBX-INIZCTEOSA-N 1 0 340.423 4.069 20 5 EIBDRO COc1ccccc1[C@@H]1CCC[N@@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173228383 1050357476 /nfs/dbraw/zinc/35/74/76/1050357476.db2.gz VUBKVNUUGZEYHH-BEFAXECRSA-N 1 0 340.423 4.372 20 5 EIBDRO COc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173225490 1050357782 /nfs/dbraw/zinc/35/77/82/1050357782.db2.gz CMGVGEQBMYWUDM-QRWLVFNGSA-N 1 0 340.423 4.372 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC001173230703 1050359666 /nfs/dbraw/zinc/35/96/66/1050359666.db2.gz ZNZPZJDNXVLHDL-ZDUSSCGKSA-N 1 0 330.815 4.238 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001173232055 1050360801 /nfs/dbraw/zinc/36/08/01/1050360801.db2.gz CNXPDEJSNINGEW-KPZWWZAWSA-N 1 0 330.815 4.456 20 5 EIBDRO COc1ccccc1[C@H](C)[N@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173234202 1050362217 /nfs/dbraw/zinc/36/22/17/1050362217.db2.gz PVJXTSDXYMNHDI-CABCVRRESA-N 1 0 328.412 4.227 20 5 EIBDRO Cc1cnc(S[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001186757304 1050407418 /nfs/dbraw/zinc/40/74/18/1050407418.db2.gz QIAYLQOOZOXTKA-MRXNPFEDSA-N 1 0 343.452 4.055 20 5 EIBDRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ccccc1[N+](=O)[O-] ZINC001186906716 1050446729 /nfs/dbraw/zinc/44/67/29/1050446729.db2.gz VTAFWAZYUPOADS-GVDBMIGSSA-N 1 0 339.439 4.083 20 5 EIBDRO CCOc1cc(F)cc(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)c1 ZINC001178365696 1050454334 /nfs/dbraw/zinc/45/43/34/1050454334.db2.gz PKAPSTUGSJJYDR-SFHVURJKSA-N 1 0 332.375 4.374 20 5 EIBDRO C[NH+](C)CCCn1cc(Nc2ccc3nc4ccccc4cc3c2)cn1 ZINC001187162757 1050483830 /nfs/dbraw/zinc/48/38/30/1050483830.db2.gz FKDCNGRGOGJASJ-UHFFFAOYSA-N 1 0 345.450 4.280 20 5 EIBDRO CSCc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC001178805087 1050557074 /nfs/dbraw/zinc/55/70/74/1050557074.db2.gz IMGVRCJHLCMNDG-UHFFFAOYSA-N 1 0 330.453 4.483 20 5 EIBDRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618984238 1050610951 /nfs/dbraw/zinc/61/09/51/1050610951.db2.gz ALLLLDVHVUISSR-MGPLVRAMSA-N 1 0 329.400 4.273 20 5 EIBDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001179135266 1050637815 /nfs/dbraw/zinc/63/78/15/1050637815.db2.gz LJWDMBJLYHCVIJ-UHFFFAOYSA-N 1 0 336.476 4.385 20 5 EIBDRO C[NH+](C)Cc1ccccc1Nc1c(N)c2cccnc2c2ncccc21 ZINC001173931245 1050652372 /nfs/dbraw/zinc/65/23/72/1050652372.db2.gz BTGOOJLGEUTFCO-UHFFFAOYSA-N 1 0 343.434 4.170 20 5 EIBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001179348304 1050671631 /nfs/dbraw/zinc/67/16/31/1050671631.db2.gz VYLZCTVAIGOXHU-WLHTULFXSA-N 1 0 346.452 4.225 20 5 EIBDRO COc1ccc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC001179686546 1050747607 /nfs/dbraw/zinc/74/76/07/1050747607.db2.gz ZEFZQNYOOIAJFT-LBPRGKRZSA-N 1 0 334.803 4.150 20 5 EIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000775185467 1050820970 /nfs/dbraw/zinc/82/09/70/1050820970.db2.gz BXRLEZQTRSUKSD-CQSZACIVSA-N 1 0 349.390 4.037 20 5 EIBDRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC001180310652 1050947061 /nfs/dbraw/zinc/94/70/61/1050947061.db2.gz NPOAIVYZQXPOGO-MRXNPFEDSA-N 1 0 348.830 4.368 20 5 EIBDRO CSc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC001181304123 1051202556 /nfs/dbraw/zinc/20/25/56/1051202556.db2.gz FMIHUQSHLLFTMU-UHFFFAOYSA-N 1 0 336.844 4.302 20 5 EIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1csc(C(F)(F)F)c1 ZINC001181697940 1051289741 /nfs/dbraw/zinc/28/97/41/1051289741.db2.gz PLDPXCUGQRRZJQ-UHFFFAOYSA-N 1 0 344.358 4.350 20 5 EIBDRO CCC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001181859945 1051331733 /nfs/dbraw/zinc/33/17/33/1051331733.db2.gz LLHKPXRGYBOXSO-XJKSGUPXSA-N 1 0 335.448 4.116 20 5 EIBDRO COc1cc(C)ccc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001181880184 1051337642 /nfs/dbraw/zinc/33/76/42/1051337642.db2.gz ONOJZNMRDLSJEX-QGZVFWFLSA-N 1 0 340.423 4.291 20 5 EIBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Cc1ccncc1 ZINC000183746348 1051351880 /nfs/dbraw/zinc/35/18/80/1051351880.db2.gz JCOUBAAXEDPULR-UHFFFAOYSA-N 1 0 339.420 4.350 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCCC[C@H]1CC(C)C ZINC001191112786 1051353873 /nfs/dbraw/zinc/35/38/73/1051353873.db2.gz PYTCUEPGDVMXBM-INIZCTEOSA-N 1 0 347.459 4.132 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC001191244098 1051409166 /nfs/dbraw/zinc/40/91/66/1051409166.db2.gz GMWNQUJETVYDFE-SCLBCKFNSA-N 1 0 344.386 4.326 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)c1 ZINC001175300515 1051494331 /nfs/dbraw/zinc/49/43/31/1051494331.db2.gz FNFOVAIGBCJOGR-OLMNPRSZSA-N 1 0 342.826 4.484 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2CC3(CO2)CCCCC3)C2CC2)c1 ZINC001191681514 1051505692 /nfs/dbraw/zinc/50/56/92/1051505692.db2.gz BSCWHYCMVIQPCV-IBGZPJMESA-N 1 0 344.455 4.299 20 5 EIBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC001191646404 1051508603 /nfs/dbraw/zinc/50/86/03/1051508603.db2.gz LWZIHDPNAUXWTE-SFHVURJKSA-N 1 0 326.371 4.386 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000774411888 1051581999 /nfs/dbraw/zinc/58/19/99/1051581999.db2.gz SOSJGBGAGSZDJM-ROUUACIJSA-N 1 0 346.814 4.023 20 5 EIBDRO CC(C)[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000774410577 1051582379 /nfs/dbraw/zinc/58/23/79/1051582379.db2.gz PTLVWDCWMUOZFF-ROUUACIJSA-N 1 0 348.830 4.269 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000774411890 1051582959 /nfs/dbraw/zinc/58/29/59/1051582959.db2.gz SOSJGBGAGSZDJM-ZWKOTPCHSA-N 1 0 346.814 4.023 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC001182633987 1051654120 /nfs/dbraw/zinc/65/41/20/1051654120.db2.gz HGBBIQFLFMVFJR-ILCZHQDMSA-N 1 0 330.428 4.032 20 5 EIBDRO COc1ccc([C@@H](C)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC001192390190 1051711097 /nfs/dbraw/zinc/71/10/97/1051711097.db2.gz KYRQYWUDALPCPW-HNNXBMFYSA-N 1 0 340.423 4.372 20 5 EIBDRO C[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CC[S@@](=O)C1 ZINC000763651433 1051812447 /nfs/dbraw/zinc/81/24/47/1051812447.db2.gz ICGHBXJWXPOZNN-VOIUYBSRSA-N 1 0 337.488 4.193 20 5 EIBDRO CC[C@@H]([NH2+]C[C@](O)(c1ccccc1)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC001192814513 1051813783 /nfs/dbraw/zinc/81/37/83/1051813783.db2.gz ODEFWTAQVPSFDJ-WOJBJXKFSA-N 1 0 342.439 4.179 20 5 EIBDRO CCCC1(CCC)CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001175898728 1051834591 /nfs/dbraw/zinc/83/45/91/1051834591.db2.gz WCEQXGBGOCDAOQ-UHFFFAOYSA-N 1 0 347.459 4.277 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](CC[C@@H]2CC2(Cl)Cl)C2CC2)cc1 ZINC001192928167 1051839172 /nfs/dbraw/zinc/83/91/72/1051839172.db2.gz GRWGRVQZHKOGEL-GFCCVEGCSA-N 1 0 329.227 4.143 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC001193066293 1051860267 /nfs/dbraw/zinc/86/02/67/1051860267.db2.gz BBHJTUPDHRVRAS-HXUWFJFHSA-N 1 0 340.423 4.201 20 5 EIBDRO Cc1csc([C@@H]2CC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC001175946760 1051864215 /nfs/dbraw/zinc/86/42/15/1051864215.db2.gz LWKJQKPKVZFUAQ-ZIAGYGMSSA-N 1 0 331.441 4.219 20 5 EIBDRO Cc1cc(F)c(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC001183957489 1051931975 /nfs/dbraw/zinc/93/19/75/1051931975.db2.gz AOFOUXISBTVWAY-ZDUSSCGKSA-N 1 0 334.366 4.292 20 5 EIBDRO COc1cccc(C2CC([NH2+]C[C@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC001184044529 1051944470 /nfs/dbraw/zinc/94/44/70/1051944470.db2.gz BYRCCOOJTJKTGF-OOHWJJMZSA-N 1 0 340.423 4.243 20 5 EIBDRO CC1(C)C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C(C)(C)O1 ZINC001193648969 1051966608 /nfs/dbraw/zinc/96/66/08/1051966608.db2.gz KBPMLMWUJHQBMQ-LBPRGKRZSA-N 1 0 347.242 4.337 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC001184499996 1052031305 /nfs/dbraw/zinc/03/13/05/1052031305.db2.gz ATBLFNAAEDYBKF-IBGZPJMESA-N 1 0 325.412 4.152 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@H](C)c1ccccc1 ZINC001176366158 1052043193 /nfs/dbraw/zinc/04/31/93/1052043193.db2.gz XYWLHSQOKKSYBX-DNVCBOLYSA-N 1 0 340.423 4.372 20 5 EIBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001194166343 1052093056 /nfs/dbraw/zinc/09/30/56/1052093056.db2.gz YUCWNUKEGBXROE-HBYGRHMLSA-N 1 0 341.249 4.272 20 5 EIBDRO CC1CC[NH+](Cc2ccc(CNc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC001184776020 1052102644 /nfs/dbraw/zinc/10/26/44/1052102644.db2.gz VKTXUERYNOLRKB-UHFFFAOYSA-N 1 0 339.439 4.439 20 5 EIBDRO Cc1cc(Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)ncc1[N+](=O)[O-] ZINC001184884472 1052116840 /nfs/dbraw/zinc/11/68/40/1052116840.db2.gz AREDXGICCUPFSH-HNNXBMFYSA-N 1 0 340.427 4.416 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3ccc4[nH]ccc4c3)CC2)c1 ZINC001176787613 1052191501 /nfs/dbraw/zinc/19/15/01/1052191501.db2.gz FWYDTKXFQCHOMR-UHFFFAOYSA-N 1 0 335.407 4.456 20 5 EIBDRO C[C@@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000076397726 1052272649 /nfs/dbraw/zinc/27/26/49/1052272649.db2.gz MLSSTFSVQBMFMA-LLVKDONJSA-N 1 0 340.301 4.344 20 5 EIBDRO CN(c1ccccc1)c1ccc(C[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000072713286 1052575442 /nfs/dbraw/zinc/57/54/42/1052575442.db2.gz DIDMJHQAMGKNAN-UHFFFAOYSA-N 1 0 348.406 4.048 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCOCC1 ZINC000072744620 1052585778 /nfs/dbraw/zinc/58/57/78/1052585778.db2.gz OBVSVWDFMFYWKF-KRWDZBQOSA-N 1 0 344.411 4.150 20 5 EIBDRO Cc1cc(NC2CC[NH+](C(C)C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461736225 1052739041 /nfs/dbraw/zinc/73/90/41/1052739041.db2.gz TYSMDAUPJWGLKD-UHFFFAOYSA-N 1 0 345.365 4.207 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000090918671 1052782504 /nfs/dbraw/zinc/78/25/04/1052782504.db2.gz JYCKSYNGSXLUHK-WBMJQRKESA-N 1 0 328.368 4.125 20 5 EIBDRO CC(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000083132703 1052833120 /nfs/dbraw/zinc/83/31/20/1052833120.db2.gz AVYAHYQDTVJONP-UHFFFAOYSA-N 1 0 325.368 4.147 20 5 EIBDRO CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H](C)c1cccc(O)c1 ZINC000083206496 1052849820 /nfs/dbraw/zinc/84/98/20/1052849820.db2.gz FJXRSQMDILMAMW-GFCCVEGCSA-N 1 0 341.367 4.025 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 ZINC000112515508 1053027081 /nfs/dbraw/zinc/02/70/81/1053027081.db2.gz XGDIUQWUUWUQEQ-VLIAUNLRSA-N 1 0 336.391 4.132 20 5 EIBDRO CC(C)CC1(C)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001194865464 1053137118 /nfs/dbraw/zinc/13/71/18/1053137118.db2.gz WAHPRIAETPBYKQ-UHFFFAOYSA-N 1 0 347.459 4.072 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)c1ccccc1[N+](=O)[O-] ZINC000850449941 1053224260 /nfs/dbraw/zinc/22/42/60/1053224260.db2.gz ZHTXGHUCVRLIAL-UONOGXRCSA-N 1 0 326.396 4.332 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000734839096 1053294743 /nfs/dbraw/zinc/29/47/43/1053294743.db2.gz WJIKGEXXCFIIKI-GFCCVEGCSA-N 1 0 334.778 4.377 20 5 EIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC3CCCCC3)CC2)cc1 ZINC000764766775 1053296398 /nfs/dbraw/zinc/29/63/98/1053296398.db2.gz HGTCSTXWARJYIP-UHFFFAOYSA-N 1 0 331.460 4.124 20 5 EIBDRO CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764807118 1053319301 /nfs/dbraw/zinc/31/93/01/1053319301.db2.gz ANKCLQCVHXQYIS-HNAYVOBHSA-N 1 0 331.460 4.122 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)[C@@H]1CC1(C)C ZINC001195270948 1053356405 /nfs/dbraw/zinc/35/64/05/1053356405.db2.gz XYLUPFUZPRUATH-NWDGAFQWSA-N 1 0 341.249 4.272 20 5 EIBDRO CCOc1cc(C[N@@H+]2CCc3ccccc3C2(C)C)ccc1[N+](=O)[O-] ZINC001195384741 1053396346 /nfs/dbraw/zinc/39/63/46/1053396346.db2.gz DHBNLNNMNXVBSG-UHFFFAOYSA-N 1 0 340.423 4.287 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000794832456 1053443683 /nfs/dbraw/zinc/44/36/83/1053443683.db2.gz SIXWFSZSRBAVGQ-JVPBZIDWSA-N 1 0 328.412 4.148 20 5 EIBDRO CSC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000552102477 1053453349 /nfs/dbraw/zinc/45/33/49/1053453349.db2.gz AJEOSGMDJMRNRQ-ZDUSSCGKSA-N 1 0 332.425 4.182 20 5 EIBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCc2ccccc21 ZINC001195809069 1053494724 /nfs/dbraw/zinc/49/47/24/1053494724.db2.gz HAOBDNNRFSIDTI-ZDUSSCGKSA-N 1 0 330.815 4.410 20 5 EIBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCc2ccccc21 ZINC001195809068 1053495454 /nfs/dbraw/zinc/49/54/54/1053495454.db2.gz HAOBDNNRFSIDTI-CYBMUJFWSA-N 1 0 330.815 4.410 20 5 EIBDRO COc1cccc(SCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000852097285 1053549195 /nfs/dbraw/zinc/54/91/95/1053549195.db2.gz ULVZHFBAJFGZNQ-ZDUSSCGKSA-N 1 0 332.425 4.046 20 5 EIBDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000776582771 1053561371 /nfs/dbraw/zinc/56/13/71/1053561371.db2.gz BUIPVLGNLWJTQM-VQTJNVASSA-N 1 0 340.423 4.082 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)C[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000120655487 1053561762 /nfs/dbraw/zinc/56/17/62/1053561762.db2.gz YBMUAMRDMJXHFZ-JVPBZIDWSA-N 1 0 328.412 4.148 20 5 EIBDRO Cc1ccc([C@H]2CCCC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776585317 1053561939 /nfs/dbraw/zinc/56/19/39/1053561939.db2.gz VFXFPIHOYBUHLF-UXHICEINSA-N 1 0 340.423 4.164 20 5 EIBDRO C=Cc1ccc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC001202519044 1053564437 /nfs/dbraw/zinc/56/44/37/1053564437.db2.gz DEVUWOOZYDEHAJ-UHFFFAOYSA-N 1 0 348.349 4.172 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2cnc(C3CCCC3)s2)cc1[N+](=O)[O-] ZINC000865787911 1053593512 /nfs/dbraw/zinc/59/35/12/1053593512.db2.gz VISDCNRXUSQAQS-UHFFFAOYSA-N 1 0 331.441 4.307 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000852780718 1053610799 /nfs/dbraw/zinc/61/07/99/1053610799.db2.gz IGANBTQCWJBYEI-LBPRGKRZSA-N 1 0 346.814 4.424 20 5 EIBDRO CC(C)[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccn1 ZINC000866358873 1053701593 /nfs/dbraw/zinc/70/15/93/1053701593.db2.gz LHGIIRRRWKLZDS-IBGZPJMESA-N 1 0 338.411 4.001 20 5 EIBDRO CC[C@H](CO)[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001197115543 1053840228 /nfs/dbraw/zinc/84/02/28/1053840228.db2.gz MAVKSHLBQADCCJ-QGZVFWFLSA-N 1 0 348.830 4.021 20 5 EIBDRO C[NH+](C)Cc1cc(CNc2ccc([N+](=O)[O-])cc2Cl)ccc1F ZINC000301309607 1053857408 /nfs/dbraw/zinc/85/74/08/1053857408.db2.gz XSOJNERABAJLMD-UHFFFAOYSA-N 1 0 337.782 4.061 20 5 EIBDRO C[C@H]([NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000301296860 1053857938 /nfs/dbraw/zinc/85/79/38/1053857938.db2.gz YCADMJIEGGXXQZ-LBPRGKRZSA-N 1 0 348.834 4.185 20 5 EIBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301311615 1053859679 /nfs/dbraw/zinc/85/96/79/1053859679.db2.gz GZDOIGKXSXZKME-CQSZACIVSA-N 1 0 343.402 4.371 20 5 EIBDRO C[N@@H+]1CCC[C@@H](CNc2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301409065 1053870312 /nfs/dbraw/zinc/87/03/12/1053870312.db2.gz IYWFWXVVBBBEIJ-GUYCJALGSA-N 1 0 331.441 4.151 20 5 EIBDRO Cc1cc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000301402484 1053871523 /nfs/dbraw/zinc/87/15/23/1053871523.db2.gz DBHHFAZWGOOULM-KDOFPFPSSA-N 1 0 345.468 4.460 20 5 EIBDRO CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173325846 1054030026 /nfs/dbraw/zinc/03/00/26/1054030026.db2.gz RQKAEVOILVTJLW-AWEZNQCLSA-N 1 0 341.411 4.184 20 5 EIBDRO COc1ccc(C[NH2+][C@H](c2ccc(C)o2)C2CCC2)cc1[N+](=O)[O-] ZINC000542667872 1054182122 /nfs/dbraw/zinc/18/21/22/1054182122.db2.gz BFBBKLSTUCVXOF-SFHVURJKSA-N 1 0 330.384 4.136 20 5 EIBDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC001198605165 1054203083 /nfs/dbraw/zinc/20/30/83/1054203083.db2.gz XVMONWBAXMGWFV-GOSISDBHSA-N 1 0 340.423 4.206 20 5 EIBDRO CC[C@H](C[N@H+](CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000775895281 1054279712 /nfs/dbraw/zinc/27/97/12/1054279712.db2.gz KZCBEYIBUICLPJ-UZLBHIALSA-N 1 0 342.439 4.144 20 5 EIBDRO CC(C)c1ccc(CNCC2([NH+](C)C)CCCCC2)cc1[N+](=O)[O-] ZINC001198908743 1054310760 /nfs/dbraw/zinc/31/07/60/1054310760.db2.gz YCNYAJLPRUUHAQ-UHFFFAOYSA-N 1 0 333.476 4.072 20 5 EIBDRO COCc1ccccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872018683 1054336224 /nfs/dbraw/zinc/33/62/24/1054336224.db2.gz OMGMTMWNNUCOOY-ZDUSSCGKSA-N 1 0 346.452 4.314 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)Cc1c(C)noc1C ZINC000872039320 1054351947 /nfs/dbraw/zinc/35/19/47/1054351947.db2.gz SKJAADGVIXMYRC-GHMZBOCLSA-N 1 0 349.456 4.203 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)c1ccncc1 ZINC000872039775 1054353554 /nfs/dbraw/zinc/35/35/54/1054353554.db2.gz HCOLBFXXAVOFKT-QWHCGFSZSA-N 1 0 331.441 4.166 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000872048120 1054362318 /nfs/dbraw/zinc/36/23/18/1054362318.db2.gz XQCGEYLJAGUHKE-NSHDSACASA-N 1 0 347.396 4.076 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000872048464 1054362783 /nfs/dbraw/zinc/36/27/83/1054362783.db2.gz JOSCEVIDNULWGW-OLZOCXBDSA-N 1 0 336.457 4.069 20 5 EIBDRO CCOC1CC(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872064788 1054374878 /nfs/dbraw/zinc/37/48/78/1054374878.db2.gz MAYOKOWFPKQAFI-DNOWBOINSA-N 1 0 338.473 4.173 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)c1ccccn1 ZINC000872085650 1054382914 /nfs/dbraw/zinc/38/29/14/1054382914.db2.gz QDXJMNWAHHLENG-STQMWFEESA-N 1 0 331.441 4.166 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](c1ccccc1)[C@H](C)O ZINC000872088258 1054385721 /nfs/dbraw/zinc/38/57/21/1054385721.db2.gz NBWGHMAPJPTBIZ-ZJNRKIDTSA-N 1 0 346.452 4.089 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000872130190 1054406387 /nfs/dbraw/zinc/40/63/87/1054406387.db2.gz FUYWXEFXDZBBSE-MNOVXSKESA-N 1 0 339.317 4.420 20 5 EIBDRO O=c1cc2c(n[nH]1)CC[N@H+](Cc1c3ccccc3cc3ccccc31)C2 ZINC000775995957 1054435138 /nfs/dbraw/zinc/43/51/38/1054435138.db2.gz OAHBNILVPALFGN-UHFFFAOYSA-N 1 0 341.414 4.047 20 5 EIBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)cc1[N+](=O)[O-] ZINC000873186654 1054505960 /nfs/dbraw/zinc/50/59/60/1054505960.db2.gz UIILSLJBXHGNJZ-NSHDSACASA-N 1 0 339.317 4.168 20 5 EIBDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000139920319 1054583631 /nfs/dbraw/zinc/58/36/31/1054583631.db2.gz GAWCYOSKJOVFRJ-INIZCTEOSA-N 1 0 332.447 4.094 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(C)ccc1C ZINC000859937117 1054753228 /nfs/dbraw/zinc/75/32/28/1054753228.db2.gz TVIVXPNINFMRNJ-KRWDZBQOSA-N 1 0 343.383 4.361 20 5 EIBDRO CC1(C[NH2+]Cc2c3ccccc3c(Cl)c3ccccc32)OCCO1 ZINC001201472891 1054827075 /nfs/dbraw/zinc/82/70/75/1054827075.db2.gz BOERQFVYJAGVCL-UHFFFAOYSA-N 1 0 341.838 4.499 20 5 EIBDRO CCCOc1cccc(CC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001201541431 1054836487 /nfs/dbraw/zinc/83/64/87/1054836487.db2.gz FRCVWZDOVCJDJG-UHFFFAOYSA-N 1 0 342.439 4.333 20 5 EIBDRO C[C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nccs1 ZINC001201929544 1054942596 /nfs/dbraw/zinc/94/25/96/1054942596.db2.gz NJJYSDJUBNIERM-GFCCVEGCSA-N 1 0 343.408 4.205 20 5 EIBDRO CC(C)C(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C(C)C ZINC001202058516 1055002561 /nfs/dbraw/zinc/00/25/61/1055002561.db2.gz PJPDXERQXMEHLN-UHFFFAOYSA-N 1 0 330.375 4.214 20 5 EIBDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000877073206 1055014279 /nfs/dbraw/zinc/01/42/79/1055014279.db2.gz FNFKEUYQNRGZHO-XXAQJILISA-N 1 0 342.376 4.277 20 5 EIBDRO COc1ccc(C[NH2+]CCCCCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001202083763 1055020687 /nfs/dbraw/zinc/02/06/87/1055020687.db2.gz JUZZBGIIEOIGBG-UHFFFAOYSA-N 1 0 346.402 4.245 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001202288310 1055125218 /nfs/dbraw/zinc/12/52/18/1055125218.db2.gz ARXCUXPUQMVQSY-QZTJIDSGSA-N 1 0 340.423 4.419 20 5 EIBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CC3CCC2CC3)cc1Br ZINC001205941957 1055134011 /nfs/dbraw/zinc/13/40/11/1055134011.db2.gz FATJFLIBITVTPX-SHVIVCPWSA-N 1 0 345.262 4.087 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000765817377 1055522930 /nfs/dbraw/zinc/52/29/30/1055522930.db2.gz NXQODZBYWBDEIZ-ACJLOTCBSA-N 1 0 348.830 4.115 20 5 EIBDRO Cc1cncc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000122973753 1055523085 /nfs/dbraw/zinc/52/30/85/1055523085.db2.gz WWZPDYCPIPOXCH-UHFFFAOYSA-N 1 0 339.420 4.317 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCSC(C)C ZINC000554370212 1056063456 /nfs/dbraw/zinc/06/34/56/1056063456.db2.gz LDIFRRNFWVVOFH-ZDUSSCGKSA-N 1 0 328.503 4.197 20 5 EIBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000746047729 1059981567 /nfs/dbraw/zinc/98/15/67/1059981567.db2.gz QQYHHJRQDFNWMV-IRXDYDNUSA-N 1 0 334.803 4.023 20 5 EIBDRO Cc1ccc(N2CCC[C@@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000746049729 1059984250 /nfs/dbraw/zinc/98/42/50/1059984250.db2.gz WZYZWRVNSLSAAL-SJLPKXTDSA-N 1 0 339.439 4.223 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)c2ccc(-c3ccccc3)cc2)c1 ZINC000766474927 1060376874 /nfs/dbraw/zinc/37/68/74/1060376874.db2.gz WLDJRRBYDFGXRT-OAQYLSRUSA-N 1 0 348.402 4.085 20 5 EIBDRO CC(C)Oc1ccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC001168801778 1060399790 /nfs/dbraw/zinc/39/97/90/1060399790.db2.gz SZTZZTIHPAGCRW-HNNXBMFYSA-N 1 0 344.411 4.112 20 5 EIBDRO CC(C)([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(Cl)cc(Cl)c1 ZINC001168978187 1060549971 /nfs/dbraw/zinc/54/99/71/1060549971.db2.gz PPBNRNZHBXZLJP-HZMBPMFUSA-N 1 0 331.243 4.264 20 5 EIBDRO CC(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)(c1ccccc1)c1ccccc1 ZINC001168965972 1060557891 /nfs/dbraw/zinc/55/78/91/1060557891.db2.gz FHFRNHXIKRXAHV-YLJYHZDGSA-N 1 0 338.451 4.028 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001168993361 1060568505 /nfs/dbraw/zinc/56/85/05/1060568505.db2.gz MWSOCLHHIWVLPD-HNAYVOBHSA-N 1 0 328.387 4.028 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(CCCc3ccccc3)CC2)C1 ZINC001169006403 1060573757 /nfs/dbraw/zinc/57/37/57/1060573757.db2.gz HRVCMJHLGJECLP-WOJBJXKFSA-N 1 0 330.472 4.167 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2c(Cl)ccc(Cl)c2Cl)C1 ZINC001168986986 1060582599 /nfs/dbraw/zinc/58/25/99/1060582599.db2.gz GWBRXWHJPLLSJS-BDAKNGLRSA-N 1 0 337.634 4.182 20 5 EIBDRO Cc1ccc(C[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc2)cc1 ZINC001168988868 1060584400 /nfs/dbraw/zinc/58/44/00/1060584400.db2.gz UHWMAWGQLXNMQV-NRSPTQNISA-N 1 0 338.451 4.314 20 5 EIBDRO C[N@H+](Cc1sc2ccccc2c1Cl)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035786 1060591810 /nfs/dbraw/zinc/59/18/10/1060591810.db2.gz CGKHEORLQIZHLI-VXGBXAGGSA-N 1 0 338.860 4.432 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+](CCc2ccccc2)Cc2ccccc2)C1 ZINC001169039302 1060592652 /nfs/dbraw/zinc/59/26/52/1060592652.db2.gz PKYPRGWLLIOVFM-NHCUHLMSSA-N 1 0 338.451 4.177 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001169036393 1060593673 /nfs/dbraw/zinc/59/36/73/1060593673.db2.gz OANHWEMVBLKEPF-MRVWCRGKSA-N 1 0 343.254 4.228 20 5 EIBDRO C[C@@H]([NH3+])c1ccn(-c2cnc3c4ccccc4c4ccccc4c3n2)n1 ZINC001169227992 1060705106 /nfs/dbraw/zinc/70/51/06/1060705106.db2.gz JVMAVLRBGLXDNP-CYBMUJFWSA-N 1 0 339.402 4.142 20 5 EIBDRO C[C@H]([NH3+])c1ccn(-c2cnc3c4ccccc4c4ccccc4c3n2)n1 ZINC001169227993 1060707285 /nfs/dbraw/zinc/70/72/85/1060707285.db2.gz JVMAVLRBGLXDNP-ZDUSSCGKSA-N 1 0 339.402 4.142 20 5 EIBDRO Cc1c(C[N@@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC001169733657 1060937390 /nfs/dbraw/zinc/93/73/90/1060937390.db2.gz NJTNIEUJWWBEBD-SYNHAJSKSA-N 1 0 344.455 4.073 20 5 EIBDRO C[NH+](C)[C@H](CNc1cc(Cl)ccc1[N+](=O)[O-])c1ccsc1 ZINC000804345444 1061083921 /nfs/dbraw/zinc/08/39/21/1061083921.db2.gz NKHOPMZEMXFWLT-CQSZACIVSA-N 1 0 325.821 4.025 20 5 EIBDRO C[C@@H]([NH2+]Cc1cc(Br)cs1)c1cccc([N+](=O)[O-])c1 ZINC000037775669 213166407 /nfs/dbraw/zinc/16/64/07/213166407.db2.gz IFPREXAUXWXRSS-SECBINFHSA-N 1 0 341.230 4.270 20 5 EIBDRO C[C@H]([NH2+]CCc1ccc(OC(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000532187555 1032076663 /nfs/dbraw/zinc/07/66/63/1032076663.db2.gz MUVAUNAEHGVOIQ-LBPRGKRZSA-N 1 0 336.338 4.090 20 5 EIBDRO C[C@@H]([NH2+]CCCCOc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000532195391 1032081640 /nfs/dbraw/zinc/08/16/40/1032081640.db2.gz FVAQQGYTEQVONX-CQSZACIVSA-N 1 0 332.375 4.244 20 5 EIBDRO COc1cc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1C ZINC000532208460 1032092824 /nfs/dbraw/zinc/09/28/24/1032092824.db2.gz ZMVHXPZQUIOJJI-SFHVURJKSA-N 1 0 340.423 4.023 20 5 EIBDRO C[C@H]([NH2+][C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000532218803 1032097614 /nfs/dbraw/zinc/09/76/14/1032097614.db2.gz XYAVKHIHHYPDQM-MJXNMMHHSA-N 1 0 344.386 4.305 20 5 EIBDRO CCC(CC)[N@H+](CC)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001194781661 1053089387 /nfs/dbraw/zinc/08/93/87/1053089387.db2.gz HAVHCXIXGKLQNQ-UHFFFAOYSA-N 1 0 329.238 4.368 20 5 EIBDRO CC[NH+](CC)CCC[C@H](C)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000450213345 1032351616 /nfs/dbraw/zinc/35/16/16/1032351616.db2.gz VSXQKPJMTBQAEG-AWEZNQCLSA-N 1 0 330.432 4.065 20 5 EIBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000533289469 1032608415 /nfs/dbraw/zinc/60/84/15/1032608415.db2.gz LOZVYPZBSQJYEB-XJKSGUPXSA-N 1 0 344.415 4.045 20 5 EIBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000533432030 1032761412 /nfs/dbraw/zinc/76/14/12/1032761412.db2.gz TZNRYTJPZWDBAJ-LSDHHAIUSA-N 1 0 343.427 4.303 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000430229031 1019517874 /nfs/dbraw/zinc/51/78/74/1019517874.db2.gz UJHOXXUOXAEQGA-AWEZNQCLSA-N 1 0 344.411 4.241 20 5 EIBDRO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000015372238 1032845641 /nfs/dbraw/zinc/84/56/41/1032845641.db2.gz FWNUFYJTEBFJRI-GOSISDBHSA-N 1 0 326.396 4.331 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1c(C)nn(C)c1C ZINC000133753500 1019831031 /nfs/dbraw/zinc/83/10/31/1019831031.db2.gz SHDGLYJUPQIPFY-SJKOYZFVSA-N 1 0 330.432 4.055 20 5 EIBDRO Cc1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000120863406 1020550563 /nfs/dbraw/zinc/55/05/63/1020550563.db2.gz IQBLJAPCTZDOTG-MJGOQNOKSA-N 1 0 340.423 4.161 20 5 EIBDRO CCC(CC)(CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC000086642826 1020834461 /nfs/dbraw/zinc/83/44/61/1020834461.db2.gz FXHLHFRCFOULCZ-UHFFFAOYSA-N 1 0 329.238 4.416 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000177229865 1020960788 /nfs/dbraw/zinc/96/07/88/1020960788.db2.gz QHBCBQHZCIKICO-GJZGRUSLSA-N 1 0 336.395 4.192 20 5 EIBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(C)s2)cc1[N+](=O)[O-] ZINC000261474553 1021035936 /nfs/dbraw/zinc/03/59/36/1021035936.db2.gz KGURWYVQLKNAQM-CQSZACIVSA-N 1 0 332.425 4.310 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCc1ccccc1OC(F)F ZINC000471537894 1021633685 /nfs/dbraw/zinc/63/36/85/1021633685.db2.gz NJMJHDPVMCGIPI-VMPITWQZSA-N 1 0 348.349 4.042 20 5 EIBDRO CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001167377582 1021841712 /nfs/dbraw/zinc/84/17/12/1021841712.db2.gz VJOPQFOFTCGDSF-LBPRGKRZSA-N 1 0 341.249 4.369 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000247255249 1021870703 /nfs/dbraw/zinc/87/07/03/1021870703.db2.gz YNOUAYRFFWZBIO-RCCFBDPRSA-N 1 0 328.416 4.016 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCc1nc2ccccc2s1 ZINC000610432135 1021873590 /nfs/dbraw/zinc/87/35/90/1021873590.db2.gz JMJMEBGUTZLNCX-ALCCZGGFSA-N 1 0 339.420 4.050 20 5 EIBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000580373545 1021926089 /nfs/dbraw/zinc/92/60/89/1021926089.db2.gz BZZBZKGUJNEUAL-BETUJISGSA-N 1 0 346.349 4.027 20 5 EIBDRO CC[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000536680623 1021949330 /nfs/dbraw/zinc/94/93/30/1021949330.db2.gz XPASWROXVMKEBO-HNNXBMFYSA-N 1 0 342.443 4.007 20 5 EIBDRO C[C@H](N[C@@H](c1ccccc1)c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000173980873 1021994037 /nfs/dbraw/zinc/99/40/37/1021994037.db2.gz UUXOIVXUMCFYKE-YWZLYKJASA-N 1 0 333.391 4.430 20 5 EIBDRO CCOCCCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180163756 1022092367 /nfs/dbraw/zinc/09/23/67/1022092367.db2.gz RUGIQHDZPCZCQO-LJQANCHMSA-N 1 0 328.412 4.091 20 5 EIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC001167424406 1022315406 /nfs/dbraw/zinc/31/54/06/1022315406.db2.gz IQKSITBBCZMQOJ-OAHLLOKOSA-N 1 0 346.814 4.117 20 5 EIBDRO C[NH2+]CCNc1ccc2ccc3ccc(Br)cc3c2c1 ZINC001167726344 1022333839 /nfs/dbraw/zinc/33/38/39/1022333839.db2.gz CUQWHNFZIPIJNK-UHFFFAOYSA-N 1 0 329.241 4.387 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CC[C@@H]2CCCCO2)c2ccccc2)c1 ZINC000180263289 1022404424 /nfs/dbraw/zinc/40/44/24/1022404424.db2.gz XUQCBABKTUNHTF-VQTJNVASSA-N 1 0 340.423 4.233 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CCCc3c(C)ccc(C)c32)cc1[N+](=O)[O-] ZINC000471618269 1022542144 /nfs/dbraw/zinc/54/21/44/1022542144.db2.gz KFYSWWFPNQTMKT-QGZVFWFLSA-N 1 0 340.423 4.387 20 5 EIBDRO C[C@@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)c1cccc([N+](=O)[O-])c1 ZINC000892622621 1022612048 /nfs/dbraw/zinc/61/20/48/1022612048.db2.gz PIFDDPBZMKQUCI-SECBINFHSA-N 1 0 345.346 4.007 20 5 EIBDRO COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000414346966 1022668413 /nfs/dbraw/zinc/66/84/13/1022668413.db2.gz WADWCTDPYZMPMD-AXHNFQJDSA-N 1 0 326.396 4.058 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000090657017 1022708223 /nfs/dbraw/zinc/70/82/23/1022708223.db2.gz QFJVTNRZRMYHLS-BEFAXECRSA-N 1 0 342.439 4.048 20 5 EIBDRO CC(C)Oc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000583093455 1022710625 /nfs/dbraw/zinc/71/06/25/1022710625.db2.gz JSFXDRFNDZQGNB-GOSISDBHSA-N 1 0 326.396 4.159 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](c3cccnc3)C3CC3)o2)cc1 ZINC000533921652 1022762155 /nfs/dbraw/zinc/76/21/55/1022762155.db2.gz RJUTZHQPGFSTKD-HXUWFJFHSA-N 1 0 349.390 4.491 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000181236296 1022902921 /nfs/dbraw/zinc/90/29/21/1022902921.db2.gz WMYUEWXLAHSNDF-CDEUHXGRSA-N 1 0 346.452 4.052 20 5 EIBDRO CCOc1cc(C[N@H+](C)C2CCC(F)(F)CC2)ccc1[N+](=O)[O-] ZINC000581256185 1022919864 /nfs/dbraw/zinc/91/98/64/1022919864.db2.gz PDYWYYXSUSHOKD-UHFFFAOYSA-N 1 0 328.359 4.003 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC2(CCOCC2)[C@@H]1C(C)C ZINC000414531804 1023252131 /nfs/dbraw/zinc/25/21/31/1023252131.db2.gz CVHQFVPASMIICB-SKTWIKFTSA-N 1 0 344.455 4.135 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCc1nccs1)CCCC2 ZINC000417312578 1023258273 /nfs/dbraw/zinc/25/82/73/1023258273.db2.gz SOUQHJJWMQGNSQ-INIZCTEOSA-N 1 0 331.441 4.041 20 5 EIBDRO CCc1cnc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000417314569 1023259458 /nfs/dbraw/zinc/25/94/58/1023259458.db2.gz RJYUCXAHGNVGET-MRXNPFEDSA-N 1 0 331.441 4.171 20 5 EIBDRO COCc1ccccc1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417319859 1023263057 /nfs/dbraw/zinc/26/30/57/1023263057.db2.gz ILIHENCFJKSGGG-HXUWFJFHSA-N 1 0 340.423 4.299 20 5 EIBDRO COCc1ccccc1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417319857 1023263110 /nfs/dbraw/zinc/26/31/10/1023263110.db2.gz ILIHENCFJKSGGG-FQEVSTJZSA-N 1 0 340.423 4.299 20 5 EIBDRO CCOC1CC(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417331759 1023268331 /nfs/dbraw/zinc/26/83/31/1023268331.db2.gz MQZHSQWXQSMUCC-YVNUBYTISA-N 1 0 332.444 4.157 20 5 EIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cnc2ccsc2c1 ZINC000126542870 1023355928 /nfs/dbraw/zinc/35/59/28/1023355928.db2.gz ATUYRMKVVONRLA-LBPRGKRZSA-N 1 0 327.409 4.098 20 5 EIBDRO Cc1c(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000337265779 1023537330 /nfs/dbraw/zinc/53/73/30/1023537330.db2.gz URODFKUXBWTCMT-QAPCUYQASA-N 1 0 325.412 4.114 20 5 EIBDRO Cc1ccc2c(ccnc2NCCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC001167751721 1023622399 /nfs/dbraw/zinc/62/23/99/1023622399.db2.gz NTNMCYJCURZPDF-OAHLLOKOSA-N 1 0 342.443 4.128 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000178122140 1023655531 /nfs/dbraw/zinc/65/55/31/1023655531.db2.gz UIGFNYVJCDUSOK-RYGJVYDSSA-N 1 0 340.423 4.474 20 5 EIBDRO CC1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000236774650 1023669854 /nfs/dbraw/zinc/66/98/54/1023669854.db2.gz PEHWZSKNABAIGC-UHFFFAOYSA-N 1 0 331.441 4.388 20 5 EIBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000062726454 1023708411 /nfs/dbraw/zinc/70/84/11/1023708411.db2.gz GKYLQWDLUNSRTP-GFCCVEGCSA-N 1 0 349.228 4.251 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000127305488 1023733216 /nfs/dbraw/zinc/73/32/16/1023733216.db2.gz RFDJDSWUMQHHSP-QWHCGFSZSA-N 1 0 328.368 4.044 20 5 EIBDRO CC[C@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181647126 1023779340 /nfs/dbraw/zinc/77/93/40/1023779340.db2.gz JPMUAJJEXRRXGW-OALUTQOASA-N 1 0 340.423 4.149 20 5 EIBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000341744780 1024563582 /nfs/dbraw/zinc/56/35/82/1024563582.db2.gz PNPVHSLTQIKFNF-INIZCTEOSA-N 1 0 348.834 4.003 20 5 EIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610786821 1024851003 /nfs/dbraw/zinc/85/10/03/1024851003.db2.gz IUVWAZKJFMKGPL-CQSZACIVSA-N 1 0 337.489 4.137 20 5 EIBDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000510976441 1024873049 /nfs/dbraw/zinc/87/30/49/1024873049.db2.gz MLOPCGKTLDQAKN-PXAZEXFGSA-N 1 0 344.386 4.389 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000136742279 1024972882 /nfs/dbraw/zinc/97/28/82/1024972882.db2.gz QKEBAXYDLJRFOD-CQSZACIVSA-N 1 0 338.835 4.220 20 5 EIBDRO COc1ccccc1OCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000610810359 1024995026 /nfs/dbraw/zinc/99/50/26/1024995026.db2.gz WQOJZIDVIABHKF-HNNXBMFYSA-N 1 0 344.411 4.032 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000178480485 1025292818 /nfs/dbraw/zinc/29/28/18/1025292818.db2.gz UFSZRIBKFGBKGY-DYVFJYSZSA-N 1 0 342.395 4.168 20 5 EIBDRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000611561494 1025386931 /nfs/dbraw/zinc/38/69/31/1025386931.db2.gz RMIUHHFUJDGHHO-UDGJJRABSA-N 1 0 328.334 4.271 20 5 EIBDRO COC[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(C)C ZINC000538401703 1025387344 /nfs/dbraw/zinc/38/73/44/1025387344.db2.gz YKJVCRUOKUKTBS-HNNXBMFYSA-N 1 0 334.441 4.084 20 5 EIBDRO CC[C@@H]([NH2+][C@H]1CCc2cc(F)c(OC)cc21)c1cccc([N+](=O)[O-])c1 ZINC000511001630 1025409929 /nfs/dbraw/zinc/40/99/29/1025409929.db2.gz TZCFCQGAKUDUMD-MSOLQXFVSA-N 1 0 344.386 4.471 20 5 EIBDRO CC[C@H]([NH2+][C@H]1CCc2cc(F)c(OC)cc21)c1cccc([N+](=O)[O-])c1 ZINC000511001633 1025410409 /nfs/dbraw/zinc/41/04/09/1025410409.db2.gz TZCFCQGAKUDUMD-ROUUACIJSA-N 1 0 344.386 4.471 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccncc1F ZINC000511002338 1025419841 /nfs/dbraw/zinc/41/98/41/1025419841.db2.gz VGSQHBHLODTOJL-QWHCGFSZSA-N 1 0 349.431 4.350 20 5 EIBDRO CC[C@H]([NH2+]C1(c2ccc(OC)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000538523483 1025451345 /nfs/dbraw/zinc/45/13/45/1025451345.db2.gz AWRHKVMIAXLMSW-SFHVURJKSA-N 1 0 326.396 4.333 20 5 EIBDRO Cc1cc(C[NH+](C)C)cc(N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000538545474 1025458519 /nfs/dbraw/zinc/45/85/19/1025458519.db2.gz ULAMKIFEPCNADI-OAHLLOKOSA-N 1 0 327.428 4.446 20 5 EIBDRO C[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)[NH+](C)C ZINC000472080534 1025695244 /nfs/dbraw/zinc/69/52/44/1025695244.db2.gz PZRVMSODWXCACF-UGSOOPFHSA-N 1 0 347.846 4.029 20 5 EIBDRO C[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)[NH+](C)C ZINC000472080533 1025695282 /nfs/dbraw/zinc/69/52/82/1025695282.db2.gz PZRVMSODWXCACF-SCLBCKFNSA-N 1 0 347.846 4.029 20 5 EIBDRO Cc1cccnc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000106481337 1025724608 /nfs/dbraw/zinc/72/46/08/1025724608.db2.gz QUZYHFFPETZSCB-UHFFFAOYSA-N 1 0 339.420 4.317 20 5 EIBDRO CCC[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000585765594 1025828676 /nfs/dbraw/zinc/82/86/76/1025828676.db2.gz YBGDXOHTZLKOMJ-GOSISDBHSA-N 1 0 338.411 4.145 20 5 EIBDRO O=[N+]([O-])c1cccc(Cl)c1CNC1(c2ccccc2)CCOCC1 ZINC000548623214 1025833202 /nfs/dbraw/zinc/83/32/02/1025833202.db2.gz ADKWOWAYRSAIDD-UHFFFAOYSA-N 1 0 346.814 4.044 20 5 EIBDRO CCC[C@H]([NH2+]Cc1c(CC)noc1CC)c1cccc([N+](=O)[O-])c1 ZINC000166969059 1025893890 /nfs/dbraw/zinc/89/38/90/1025893890.db2.gz CROVCSCRRISBMB-KRWDZBQOSA-N 1 0 331.416 4.339 20 5 EIBDRO CC1(C)C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]2CCC[C@@H]21 ZINC000550076125 1026018746 /nfs/dbraw/zinc/01/87/46/1026018746.db2.gz KWNOXLWFSJACMW-IRXDYDNUSA-N 1 0 341.411 4.260 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCSc3c(F)cccc32)cc1 ZINC000320877347 1026078959 /nfs/dbraw/zinc/07/89/59/1026078959.db2.gz XAKHBIACLQFBHE-MRXNPFEDSA-N 1 0 332.400 4.103 20 5 EIBDRO COC1(CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000551243971 1026103742 /nfs/dbraw/zinc/10/37/42/1026103742.db2.gz QAWPHAYMRIHELS-LJQANCHMSA-N 1 0 340.423 4.233 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000279120783 1026106727 /nfs/dbraw/zinc/10/67/27/1026106727.db2.gz QBUSMPJXCGMSNY-ZWKOTPCHSA-N 1 0 325.412 4.453 20 5 EIBDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279128832 1026122021 /nfs/dbraw/zinc/12/20/21/1026122021.db2.gz QTOZUGBSKCEXOZ-ZMZPIMSZSA-N 1 0 343.427 4.143 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000184298963 1026392917 /nfs/dbraw/zinc/39/29/17/1026392917.db2.gz UEEIQRSATRZYMR-MRXNPFEDSA-N 1 0 332.375 4.374 20 5 EIBDRO C[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000512199876 1026423441 /nfs/dbraw/zinc/42/34/41/1026423441.db2.gz VVDPLQGGXCKGOT-CYBMUJFWSA-N 1 0 331.441 4.340 20 5 EIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000050015627 1026681696 /nfs/dbraw/zinc/68/16/96/1026681696.db2.gz VESUXQFBDGUWOV-VIFPVBQESA-N 1 0 341.230 4.270 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000500471578 1026775054 /nfs/dbraw/zinc/77/50/54/1026775054.db2.gz QSJOZEPHLSJTMT-GDBMZVCRSA-N 1 0 342.386 4.358 20 5 EIBDRO CCc1cccnc1[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000507440036 1026787909 /nfs/dbraw/zinc/78/79/09/1026787909.db2.gz FEBGDUQESOFOOH-GFCCVEGCSA-N 1 0 333.819 4.099 20 5 EIBDRO CCc1cccnc1[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000507440037 1026789226 /nfs/dbraw/zinc/78/92/26/1026789226.db2.gz FEBGDUQESOFOOH-LBPRGKRZSA-N 1 0 333.819 4.099 20 5 EIBDRO COc1cncc(/C=C/CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000519710291 1026966153 /nfs/dbraw/zinc/96/61/53/1026966153.db2.gz KWWLIIKOEGSXHJ-DRDHIDPGSA-N 1 0 341.411 4.061 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccccc1OCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178658002 1027272403 /nfs/dbraw/zinc/27/24/03/1027272403.db2.gz MTJUBMJGMQEFAM-CQSZACIVSA-N 1 0 326.396 4.234 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccccc1OC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178657357 1027275522 /nfs/dbraw/zinc/27/55/22/1027275522.db2.gz JNWRAIFAWLMAAF-CQSZACIVSA-N 1 0 326.396 4.377 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000544385028 1027374599 /nfs/dbraw/zinc/37/45/99/1027374599.db2.gz HGFCLFRKDKQMNG-MRXNPFEDSA-N 1 0 332.787 4.034 20 5 EIBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310795437 1027402508 /nfs/dbraw/zinc/40/25/08/1027402508.db2.gz FMJFBTAOYQTWLC-HOCLYGCPSA-N 1 0 343.402 4.056 20 5 EIBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001167625661 1027464660 /nfs/dbraw/zinc/46/46/60/1027464660.db2.gz XSJJLDSKQYCNSV-UHFFFAOYSA-N 1 0 345.365 4.098 20 5 EIBDRO Cc1nc(-c2ccc(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)o2)cs1 ZINC000164429053 1027583197 /nfs/dbraw/zinc/58/31/97/1027583197.db2.gz RCETYZHGLPDOJL-LLVKDONJSA-N 1 0 343.408 4.471 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000441451536 1028007387 /nfs/dbraw/zinc/00/73/87/1028007387.db2.gz NPMZTLRWGBFLDG-INIZCTEOSA-N 1 0 338.835 4.172 20 5 EIBDRO CC(C)[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000444749606 1028035903 /nfs/dbraw/zinc/03/59/03/1028035903.db2.gz UBNTYOMNQRJPGN-ZFWWWQNUSA-N 1 0 344.415 4.074 20 5 EIBDRO CN(Cc1cc(Br)cs1)Cc1cccc([N+](=O)[O-])c1 ZINC000047751314 1028194357 /nfs/dbraw/zinc/19/43/57/1028194357.db2.gz ZGJDSDPENWRBMZ-UHFFFAOYSA-N 1 0 341.230 4.051 20 5 EIBDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000281137723 1028407405 /nfs/dbraw/zinc/40/74/05/1028407405.db2.gz FPBRSZHYJQMTJW-DIFFPNOSSA-N 1 0 330.359 4.081 20 5 EIBDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000281137730 1028407607 /nfs/dbraw/zinc/40/76/07/1028407607.db2.gz FPBRSZHYJQMTJW-PIGZYNQJSA-N 1 0 330.359 4.081 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000346791078 1028670028 /nfs/dbraw/zinc/67/00/28/1028670028.db2.gz GQICPMWDJZSONS-ACJLOTCBSA-N 1 0 326.396 4.332 20 5 EIBDRO CCC[C@@H]([NH2+]CCn1cnc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000346791829 1028670838 /nfs/dbraw/zinc/67/08/38/1028670838.db2.gz IIXHNAKPXHEFEG-QGZVFWFLSA-N 1 0 338.411 4.076 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCNc1cccc(F)c1 ZINC000544373336 1028728089 /nfs/dbraw/zinc/72/80/89/1028728089.db2.gz BSGWRZBYALLDMO-AWEZNQCLSA-N 1 0 331.391 4.195 20 5 EIBDRO CCOCCC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000583510499 1028832105 /nfs/dbraw/zinc/83/21/05/1028832105.db2.gz TYYWJBNSXIJMSO-KRWDZBQOSA-N 1 0 332.444 4.159 20 5 EIBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c3cnccc23)CCCCCC1 ZINC000021791071 1028836131 /nfs/dbraw/zinc/83/61/31/1028836131.db2.gz WGXURKNKJIABDJ-UHFFFAOYSA-N 1 0 342.443 4.210 20 5 EIBDRO CC(C)COc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000324317766 1029055932 /nfs/dbraw/zinc/05/59/32/1029055932.db2.gz GRFRVBQEFFFQDV-OAHLLOKOSA-N 1 0 328.412 4.480 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(OCC3CCCCC3)CC2)cc1 ZINC000524755380 1029201324 /nfs/dbraw/zinc/20/13/24/1029201324.db2.gz FQTGBHDJEVRUIZ-UHFFFAOYSA-N 1 0 332.444 4.156 20 5 EIBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000475154819 1029301087 /nfs/dbraw/zinc/30/10/87/1029301087.db2.gz LUUCPQRVBNRDFX-YQQAZPJKSA-N 1 0 347.459 4.035 20 5 EIBDRO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000525123363 1029464056 /nfs/dbraw/zinc/46/40/56/1029464056.db2.gz YVGGZWROPQPRDT-FUHWJXTLSA-N 1 0 340.423 4.099 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000525126683 1029467169 /nfs/dbraw/zinc/46/71/69/1029467169.db2.gz JMFCNNVBMFPOMT-HNNXBMFYSA-N 1 0 330.815 4.313 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@H]4CCC[C@@H]43)cs2)c1 ZINC000428451745 1029533673 /nfs/dbraw/zinc/53/36/73/1029533673.db2.gz FKKQQIOKMKOKLE-LRDDRELGSA-N 1 0 329.425 4.093 20 5 EIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)cs1 ZINC000525267376 1029553920 /nfs/dbraw/zinc/55/39/20/1029553920.db2.gz GEVGJKSKWNSTGR-ZDUSSCGKSA-N 1 0 334.466 4.271 20 5 EIBDRO CCO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000446846495 1029599853 /nfs/dbraw/zinc/59/98/53/1029599853.db2.gz AMGKAAGTELFDKE-QGZVFWFLSA-N 1 0 334.803 4.116 20 5 EIBDRO C[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(Cl)c1 ZINC000446847605 1029601710 /nfs/dbraw/zinc/60/17/10/1029601710.db2.gz AUUJVFZFNDWXJM-LLVKDONJSA-N 1 0 344.802 4.018 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000525779411 1030013287 /nfs/dbraw/zinc/01/32/87/1030013287.db2.gz HWLJIKJCLODYAR-HNNXBMFYSA-N 1 0 328.437 4.209 20 5 EIBDRO CC(C)[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(C)(C)O ZINC000480458754 1030089718 /nfs/dbraw/zinc/08/97/18/1030089718.db2.gz FPWKBFKTEARNEO-KRWDZBQOSA-N 1 0 348.468 4.208 20 5 EIBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CCC(F)(c2ccccn2)CC1 ZINC000450933203 1030102535 /nfs/dbraw/zinc/10/25/35/1030102535.db2.gz UKNUSHKVECBUNY-UHFFFAOYSA-N 1 0 349.793 4.104 20 5 EIBDRO CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447527906 1030121647 /nfs/dbraw/zinc/12/16/47/1030121647.db2.gz HJCVVLHIHMBXDF-KBAYOESNSA-N 1 0 342.443 4.058 20 5 EIBDRO CCO[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000447552144 1030132545 /nfs/dbraw/zinc/13/25/45/1030132545.db2.gz MMGDOAQKCNCSBE-VQTJNVASSA-N 1 0 340.423 4.340 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCC3(CCOCC3)CC1)CCC2 ZINC000447572937 1030157230 /nfs/dbraw/zinc/15/72/30/1030157230.db2.gz FEOBHXGWDWYUPG-IBGZPJMESA-N 1 0 344.455 4.301 20 5 EIBDRO CCO[C@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000447557427 1030163773 /nfs/dbraw/zinc/16/37/73/1030163773.db2.gz LTPRVSTUAFPGGV-HNAYVOBHSA-N 1 0 328.412 4.332 20 5 EIBDRO CCO[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000447566600 1030179070 /nfs/dbraw/zinc/17/90/70/1030179070.db2.gz UZTMITJOLUCWSP-BEFAXECRSA-N 1 0 328.412 4.332 20 5 EIBDRO C[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)Oc1ccccc1 ZINC000447579699 1030210921 /nfs/dbraw/zinc/21/09/21/1030210921.db2.gz LNOXUCLVTUODDR-KUHUBIRLSA-N 1 0 326.396 4.029 20 5 EIBDRO Cc1cc(N2CCC(c3ccccn3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611929787 1030378462 /nfs/dbraw/zinc/37/84/62/1030378462.db2.gz VAMLLQVEYCMVCG-UHFFFAOYSA-N 1 0 348.406 4.230 20 5 EIBDRO CO[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000611984086 1030708564 /nfs/dbraw/zinc/70/85/64/1030708564.db2.gz CLVHWGPGQUXLHM-CQSZACIVSA-N 1 0 346.452 4.324 20 5 EIBDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001168097338 1030809276 /nfs/dbraw/zinc/80/92/76/1030809276.db2.gz UXUBYKHXOJRZPV-KGLIPLIRSA-N 1 0 330.432 4.166 20 5 EIBDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001168097336 1030809358 /nfs/dbraw/zinc/80/93/58/1030809358.db2.gz UXUBYKHXOJRZPV-KBPBESRZSA-N 1 0 330.432 4.166 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000237722392 1030860535 /nfs/dbraw/zinc/86/05/35/1030860535.db2.gz UZRKGANNMUHCHN-HWKANZROSA-N 1 0 339.370 4.061 20 5 EIBDRO CC(C)c1ccc(C[NH2+]Cc2cnn(CC3CCC3)c2)cc1[N+](=O)[O-] ZINC000897436346 1031007070 /nfs/dbraw/zinc/00/70/70/1031007070.db2.gz XMVOGGXQKBEXFK-UHFFFAOYSA-N 1 0 342.443 4.005 20 5 EIBDRO C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(F)cc1 ZINC000532482145 1031215797 /nfs/dbraw/zinc/21/57/97/1031215797.db2.gz RDODMPMWTBMBOW-KUHUBIRLSA-N 1 0 342.414 4.448 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H](C)CCc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000532487517 1031220830 /nfs/dbraw/zinc/22/08/30/1031220830.db2.gz IRVJNMAVJFEHDR-HIFRSBDPSA-N 1 0 328.412 4.281 20 5 EIBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000532522963 1031242130 /nfs/dbraw/zinc/24/21/30/1031242130.db2.gz LNOKHKUMNBUPAY-PXAZEXFGSA-N 1 0 334.803 4.287 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000179662041 1031250189 /nfs/dbraw/zinc/25/01/89/1031250189.db2.gz AGCWURKMTZEYOX-CQSZACIVSA-N 1 0 344.411 4.241 20 5 EIBDRO COc1ccc(C[NH2+]CC(C)(C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000520216020 1031457677 /nfs/dbraw/zinc/45/76/77/1031457677.db2.gz OXVSWELPQFZOKY-UHFFFAOYSA-N 1 0 348.830 4.324 20 5 EIBDRO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000531706936 1031493834 /nfs/dbraw/zinc/49/38/34/1031493834.db2.gz LFBOJJOCMSQLQH-BKTGTZMESA-N 1 0 344.386 4.305 20 5 EIBDRO Cc1cnc([C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000449174530 1031494012 /nfs/dbraw/zinc/49/40/12/1031494012.db2.gz YVBGJUPAYWYGGL-MEDUHNTESA-N 1 0 331.441 4.032 20 5 EIBDRO Cc1cnc([C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000449174531 1031495330 /nfs/dbraw/zinc/49/53/30/1031495330.db2.gz YVBGJUPAYWYGGL-ZBEGNZNMSA-N 1 0 331.441 4.032 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CCCc2cccnc2)cc1[N+](=O)[O-] ZINC000453147103 1031622933 /nfs/dbraw/zinc/62/29/33/1031622933.db2.gz IQXGVEGUUGGWKR-HOTGVXAUSA-N 1 0 327.428 4.360 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453222236 1031739643 /nfs/dbraw/zinc/73/96/43/1031739643.db2.gz KZGMSUQFIUJAQE-ZAAXVRCTSA-N 1 0 339.439 4.081 20 5 EIBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccccc2O1 ZINC000453270693 1031793242 /nfs/dbraw/zinc/79/32/42/1031793242.db2.gz PHPVCYQTXLFYAY-UPRAQXHNSA-N 1 0 338.407 4.474 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCc2ccccc2C1)C1CC1 ZINC000531947698 1031858830 /nfs/dbraw/zinc/85/88/30/1031858830.db2.gz GXJABKWAFMPEAY-PMACEKPBSA-N 1 0 336.435 4.063 20 5 EIBDRO CCCc1ncc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000449610399 1031871260 /nfs/dbraw/zinc/87/12/60/1031871260.db2.gz GKYAEJKUSMSTGW-WMLDXEAASA-N 1 0 343.427 4.036 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCC[C@H]2CCOC2)c2ccccc2)c1 ZINC000453385341 1031895306 /nfs/dbraw/zinc/89/53/06/1031895306.db2.gz UJLRYNYRGHDFRL-OXJNMPFZSA-N 1 0 340.423 4.091 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000453388153 1031898078 /nfs/dbraw/zinc/89/80/78/1031898078.db2.gz OZJWYXKPUYNKPM-BJJXKVORSA-N 1 0 332.425 4.227 20 5 EIBDRO COc1c(Cl)cccc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000897480186 1031926063 /nfs/dbraw/zinc/92/60/63/1031926063.db2.gz SELKCNPHISFPJF-OAHLLOKOSA-N 1 0 332.787 4.034 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncc(C)s1 ZINC000536624726 1031954946 /nfs/dbraw/zinc/95/49/46/1031954946.db2.gz DHHGUDOBAMXUKA-GFCCVEGCSA-N 1 0 337.470 4.020 20 5 EIBDRO CCC[C@@H]([NH2+][C@@H](CO)c1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000531995084 1031963356 /nfs/dbraw/zinc/96/33/56/1031963356.db2.gz WZERUZYVXGRGIT-MOPGFXCFSA-N 1 0 328.412 4.068 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC3CC(F)(F)C3)o2)cc1 ZINC000453587548 1032032832 /nfs/dbraw/zinc/03/28/32/1032032832.db2.gz KFTCEUOGBDKSAZ-UHFFFAOYSA-N 1 0 336.338 4.380 20 5 EIBDRO Cc1cc(N2CCSC(C)(C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000432941172 1033465551 /nfs/dbraw/zinc/46/55/51/1033465551.db2.gz ZPJJAVNBQCLHCS-UHFFFAOYSA-N 1 0 331.441 4.173 20 5 EIBDRO Cc1cc(Nc2cccc3c2OCC[C@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000432947226 1033478276 /nfs/dbraw/zinc/47/82/76/1033478276.db2.gz ZHFJIKUWGWRELL-QGZVFWFLSA-N 1 0 327.384 4.032 20 5 EIBDRO COCc1ccccc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433145736 1033929315 /nfs/dbraw/zinc/92/93/15/1033929315.db2.gz RNEMUZJETZOMTM-LJQANCHMSA-N 1 0 340.423 4.253 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1ccccc1[N+](=O)[O-] ZINC000453350540 1033985860 /nfs/dbraw/zinc/98/58/60/1033985860.db2.gz BPUORWJUOOPOGF-WOSRLPQWSA-N 1 0 332.425 4.227 20 5 EIBDRO CC(C)(C)[NH+]1CCC(N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433286187 1034173599 /nfs/dbraw/zinc/17/35/99/1034173599.db2.gz UJIUJSRUIJFSJG-SFHVURJKSA-N 1 0 345.487 4.170 20 5 EIBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000513057580 1034381573 /nfs/dbraw/zinc/38/15/73/1034381573.db2.gz NQCUFQALTIBLGK-YSIASYRMSA-N 1 0 340.423 4.036 20 5 EIBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000513067261 1034465142 /nfs/dbraw/zinc/46/51/42/1034465142.db2.gz DBAKDXPPIGOOJT-GVDBMIGSSA-N 1 0 346.452 4.097 20 5 EIBDRO COCC[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237102644 1034803495 /nfs/dbraw/zinc/80/34/95/1034803495.db2.gz QFYMKFKDOHZOQZ-LLVKDONJSA-N 1 0 338.791 4.023 20 5 EIBDRO COCc1ccccc1/C=C(\C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000513174054 1034825763 /nfs/dbraw/zinc/82/57/63/1034825763.db2.gz NWLXKVMZEWJGPD-RVDMUPIBSA-N 1 0 340.423 4.243 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513360360 1034892210 /nfs/dbraw/zinc/89/22/10/1034892210.db2.gz AIOINHQTFFGOKQ-HNNXBMFYSA-N 1 0 343.402 4.007 20 5 EIBDRO Cc1cc(N2CC[C@@H](CC(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000433814339 1034934842 /nfs/dbraw/zinc/93/48/42/1034934842.db2.gz HYPMFSVBYGYGKK-NSHDSACASA-N 1 0 339.317 4.230 20 5 EIBDRO Cc1ccc(C[NH2+]CCOc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000513608190 1035067120 /nfs/dbraw/zinc/06/71/20/1035067120.db2.gz FPNSECSRIZQWCZ-UHFFFAOYSA-N 1 0 336.391 4.225 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2cccc(Cl)c2Cl)c1 ZINC000513608141 1035067191 /nfs/dbraw/zinc/06/71/91/1035067191.db2.gz DTFCDDBJESGWIW-UHFFFAOYSA-N 1 0 325.195 4.234 20 5 EIBDRO Cc1cnc([C@@H](C)C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000183196169 1035337413 /nfs/dbraw/zinc/33/74/13/1035337413.db2.gz SDYADPDAKOSGHE-LRDDRELGSA-N 1 0 345.468 4.074 20 5 EIBDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595020288 1035508041 /nfs/dbraw/zinc/50/80/41/1035508041.db2.gz YLOYLQMAPSPVJJ-CHWSQXEVSA-N 1 0 330.384 4.024 20 5 EIBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cc2cnccc2o1 ZINC000595028764 1035557654 /nfs/dbraw/zinc/55/76/54/1035557654.db2.gz UMRRNESVWMCZKK-AWEZNQCLSA-N 1 0 339.395 4.410 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000595040394 1035564564 /nfs/dbraw/zinc/56/45/64/1035564564.db2.gz VMMHMGQEAHOYTA-NEPJUHHUSA-N 1 0 328.359 4.080 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CSc2ccccc21 ZINC000595040611 1035564729 /nfs/dbraw/zinc/56/47/29/1035564729.db2.gz HZLACTCPJWPNGK-OLZOCXBDSA-N 1 0 344.436 4.144 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc2[nH]c(C)cc2c1 ZINC000595037937 1035565749 /nfs/dbraw/zinc/56/57/49/1035565749.db2.gz AJCCEGRBPFTNEV-ZDUSSCGKSA-N 1 0 339.395 4.244 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)c1ccccn1 ZINC000595047845 1035568993 /nfs/dbraw/zinc/56/89/93/1035568993.db2.gz GBMDYBJAVGAKLE-LSDHHAIUSA-N 1 0 345.468 4.254 20 5 EIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)(C)C(F)F ZINC000595052430 1035570701 /nfs/dbraw/zinc/57/07/01/1035570701.db2.gz WSGNQVNTOPITMN-QMMMGPOBSA-N 1 0 340.292 4.383 20 5 EIBDRO CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(OC)cc1 ZINC000574890079 1035575170 /nfs/dbraw/zinc/57/51/70/1035575170.db2.gz MXPHSMNPKFYMDC-QZTJIDSGSA-N 1 0 326.396 4.332 20 5 EIBDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000485070023 1035659127 /nfs/dbraw/zinc/65/91/27/1035659127.db2.gz BVTPGLRUOMXCKW-AWEZNQCLSA-N 1 0 344.411 4.195 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595781680 1035792417 /nfs/dbraw/zinc/79/24/17/1035792417.db2.gz FMWQROUOUFQYRJ-DNVCBOLYSA-N 1 0 332.444 4.245 20 5 EIBDRO CC[C@H]([NH2+]Cc1cnccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000596118022 1035823238 /nfs/dbraw/zinc/82/32/38/1035823238.db2.gz MFMHVVQBXTZFDZ-HNNXBMFYSA-N 1 0 339.317 4.250 20 5 EIBDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000596176170 1035834950 /nfs/dbraw/zinc/83/49/50/1035834950.db2.gz ZMUJEYNLWGTNJT-HNNXBMFYSA-N 1 0 333.338 4.131 20 5 EIBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3cc(N)ccc32)c2cc([N+](=O)[O-])ccc21 ZINC000596650007 1035958852 /nfs/dbraw/zinc/95/88/52/1035958852.db2.gz FLVRLMRQXYPRHZ-RTBURBONSA-N 1 0 337.423 4.177 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](c1cccnc1)C(C)C ZINC000164158932 1035981091 /nfs/dbraw/zinc/98/10/91/1035981091.db2.gz XPPFTCFTAKOSBH-HNAYVOBHSA-N 1 0 327.428 4.389 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000502324299 1036078425 /nfs/dbraw/zinc/07/84/25/1036078425.db2.gz BWQCGGFMTXMXJW-KGLIPLIRSA-N 1 0 326.387 4.331 20 5 EIBDRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000237176928 1036165841 /nfs/dbraw/zinc/16/58/41/1036165841.db2.gz VKPBEDUWLOFMMN-AWEZNQCLSA-N 1 0 346.452 4.121 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000485793454 1036263911 /nfs/dbraw/zinc/26/39/11/1036263911.db2.gz OYMSYEYHJUSOBA-AUUYWEPGSA-N 1 0 344.386 4.177 20 5 EIBDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000421388226 1036349171 /nfs/dbraw/zinc/34/91/71/1036349171.db2.gz PUTUPKYUCIHHCY-GDBMZVCRSA-N 1 0 346.452 4.371 20 5 EIBDRO CC[C@H]1C[C@]1([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1cccc(C)c1 ZINC000502596398 1036389358 /nfs/dbraw/zinc/38/93/58/1036389358.db2.gz QAJHBNGVMPDKFW-OXJNMPFZSA-N 1 0 340.423 4.327 20 5 EIBDRO Cc1cscc1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602638059 1036547153 /nfs/dbraw/zinc/54/71/53/1036547153.db2.gz BNUJRMYXGYKEMR-UHFFFAOYSA-N 1 0 330.331 4.273 20 5 EIBDRO O=[N+]([O-])c1sccc1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000060864783 1036583888 /nfs/dbraw/zinc/58/38/88/1036583888.db2.gz WQQFQISXKYIXCT-UHFFFAOYSA-N 1 0 337.470 4.042 20 5 EIBDRO C[C@@H](CF)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000588930552 1036609384 /nfs/dbraw/zinc/60/93/84/1036609384.db2.gz MMEHVDDLYFOYJP-NSHDSACASA-N 1 0 338.766 4.488 20 5 EIBDRO CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000060877140 1036625798 /nfs/dbraw/zinc/62/57/98/1036625798.db2.gz MEHAXFIXTMGIHW-OAHLLOKOSA-N 1 0 344.415 4.045 20 5 EIBDRO CC(C)c1ccc(C[NH+]2CCC(c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000589196218 1036704356 /nfs/dbraw/zinc/70/43/56/1036704356.db2.gz KSKFSKDNNBQGRF-UHFFFAOYSA-N 1 0 339.439 4.493 20 5 EIBDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CC3 ZINC000486520233 1036755400 /nfs/dbraw/zinc/75/54/00/1036755400.db2.gz RQXOXTODUQIGAY-HNNXBMFYSA-N 1 0 335.407 4.032 20 5 EIBDRO COc1ccc([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C2CC2)c(F)c1 ZINC000421837186 1036799576 /nfs/dbraw/zinc/79/95/76/1036799576.db2.gz INKNWZJMYCKHBY-IBGZPJMESA-N 1 0 344.386 4.292 20 5 EIBDRO COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000421845168 1036821431 /nfs/dbraw/zinc/82/14/31/1036821431.db2.gz WDGLJWGTGOVJRZ-GFCCVEGCSA-N 1 0 334.803 4.416 20 5 EIBDRO CC[C@@H]([NH2+]CC(C)(C)c1ccc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000599070678 1036869517 /nfs/dbraw/zinc/86/95/17/1036869517.db2.gz NGRZFFGZDCSOJP-QGZVFWFLSA-N 1 0 327.428 4.317 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000599068864 1036870095 /nfs/dbraw/zinc/87/00/95/1036870095.db2.gz QFMADZKVGBAZJF-MGPUTAFESA-N 1 0 339.439 4.442 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000599088359 1036873071 /nfs/dbraw/zinc/87/30/71/1036873071.db2.gz QHXZVXRXCFHUDJ-LBPRGKRZSA-N 1 0 342.342 4.452 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccnc(Oc3ccccc3)c2)c1 ZINC000603633199 1036920020 /nfs/dbraw/zinc/92/00/20/1036920020.db2.gz NPDUUDKLHQWLHF-UHFFFAOYSA-N 1 0 335.363 4.072 20 5 EIBDRO CC(C)O[C@@H](C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000589988558 1036924734 /nfs/dbraw/zinc/92/47/34/1036924734.db2.gz OJMONFKOILAXLO-FQEVSTJZSA-N 1 0 340.423 4.119 20 5 EIBDRO COc1ccc(C[N@H+](C)[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000603837223 1037032392 /nfs/dbraw/zinc/03/23/92/1037032392.db2.gz LVZZTYVUSWWQNL-KRWDZBQOSA-N 1 0 326.396 4.113 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(OC(F)F)CC1 ZINC000590662502 1037136550 /nfs/dbraw/zinc/13/65/50/1037136550.db2.gz YBRNTQLBTCLHQH-GRTSSRMGSA-N 1 0 342.386 4.056 20 5 EIBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)s1 ZINC000604012527 1037147135 /nfs/dbraw/zinc/14/71/35/1037147135.db2.gz LUEPVUHQLVXERQ-UHFFFAOYSA-N 1 0 340.832 4.211 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)c1cccc([N+](=O)[O-])c1 ZINC000171415734 1037397288 /nfs/dbraw/zinc/39/72/88/1037397288.db2.gz GSTNNDHFRKIRNK-ZDUSSCGKSA-N 1 0 326.396 4.159 20 5 EIBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521758 1037402079 /nfs/dbraw/zinc/40/20/79/1037402079.db2.gz XZLPSWRFGQBTNM-QUCCMNQESA-N 1 0 340.423 4.195 20 5 EIBDRO C[C@@H]1CSCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000488397699 1037567703 /nfs/dbraw/zinc/56/77/03/1037567703.db2.gz NXYWIGDRBSAZLF-ZDUSSCGKSA-N 1 0 332.425 4.040 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCSc2ccccc21 ZINC000573624754 1037631281 /nfs/dbraw/zinc/63/12/81/1037631281.db2.gz QJDULAFJGJOTFJ-CVEARBPZSA-N 1 0 326.421 4.409 20 5 EIBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CS1 ZINC000488527417 1037650984 /nfs/dbraw/zinc/65/09/84/1037650984.db2.gz BRVBBBQNLVUNJF-RISCZKNCSA-N 1 0 328.865 4.258 20 5 EIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCC(C)(C)C ZINC000592145605 1037745973 /nfs/dbraw/zinc/74/59/73/1037745973.db2.gz ZKXWNMDCSXEWNB-LBPRGKRZSA-N 1 0 332.404 4.074 20 5 EIBDRO CCOc1cc(C[NH2+]C2(c3cccc(F)c3)CCC2)ccc1[N+](=O)[O-] ZINC000592145131 1037750515 /nfs/dbraw/zinc/75/05/15/1037750515.db2.gz OFXZFMNWDMMAKK-UHFFFAOYSA-N 1 0 344.386 4.302 20 5 EIBDRO COc1cc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)ccc1SC ZINC000058527876 1037843851 /nfs/dbraw/zinc/84/38/51/1037843851.db2.gz HTSPXLCEDALNAV-UHFFFAOYSA-N 1 0 346.452 4.266 20 5 EIBDRO CCCCN(C)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000489104054 1037865720 /nfs/dbraw/zinc/86/57/20/1037865720.db2.gz WKUAFLSTVMEQLE-UHFFFAOYSA-N 1 0 347.484 4.145 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000593055455 1037913329 /nfs/dbraw/zinc/91/33/29/1037913329.db2.gz VPVOEERNMYJMSC-SNVBAGLBSA-N 1 0 332.297 4.022 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCCOC1 ZINC000503912350 1038014041 /nfs/dbraw/zinc/01/40/41/1038014041.db2.gz NLXGVGYTZCZOHV-UKRRQHHQSA-N 1 0 346.452 4.228 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)CCC2 ZINC000503952956 1038045638 /nfs/dbraw/zinc/04/56/38/1038045638.db2.gz LTDDCCLFDSIXDT-ARFHVFGLSA-N 1 0 340.370 4.112 20 5 EIBDRO Cc1ccc(C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC2CC2)cn1 ZINC000592525099 1038149424 /nfs/dbraw/zinc/14/94/24/1038149424.db2.gz GXCVTJIQBQONRQ-UHFFFAOYSA-N 1 0 325.412 4.019 20 5 EIBDRO Nc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423356087 1038172993 /nfs/dbraw/zinc/17/29/93/1038172993.db2.gz PXAKJCQUGSZPFL-WOJBJXKFSA-N 1 0 337.423 4.222 20 5 EIBDRO Cc1ccnc([C@H]2CC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000594004972 1038184774 /nfs/dbraw/zinc/18/47/74/1038184774.db2.gz REHVRUYTECAMTD-HOTGVXAUSA-N 1 0 325.412 4.157 20 5 EIBDRO CC[C@@H]1c2ccsc2CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000058933212 1038205499 /nfs/dbraw/zinc/20/54/99/1038205499.db2.gz NFXHAELYCTWKDL-MRXNPFEDSA-N 1 0 332.425 4.045 20 5 EIBDRO C[NH+](C)C(C)(C)CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000912730415 1038234553 /nfs/dbraw/zinc/23/45/53/1038234553.db2.gz JKYCGKSODJOCIQ-UHFFFAOYSA-N 1 0 339.745 4.019 20 5 EIBDRO CSCCCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000480770458 1038808089 /nfs/dbraw/zinc/80/80/89/1038808089.db2.gz KROZMELAKUPZEI-DOTOQJQBSA-N 1 0 336.501 4.429 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000539066872 1038817668 /nfs/dbraw/zinc/81/76/68/1038817668.db2.gz WHTDKTCVCHQOME-TYILLQQXSA-N 1 0 346.402 4.469 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CCSCC)cc1[N+](=O)[O-] ZINC000504899462 1038833676 /nfs/dbraw/zinc/83/36/76/1038833676.db2.gz HCPUIBNLYMRLCI-CHWSQXEVSA-N 1 0 326.462 4.176 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CCOc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000504906002 1038846453 /nfs/dbraw/zinc/84/64/53/1038846453.db2.gz RGZMBQIIFLAWEJ-HNNXBMFYSA-N 1 0 344.411 4.032 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCOC1CCCC1 ZINC000504911194 1038848337 /nfs/dbraw/zinc/84/83/37/1038848337.db2.gz BWMCGVYRJIPNIC-AWEZNQCLSA-N 1 0 338.473 4.014 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CCCOc2ccccc2)cc1[N+](=O)[O-] ZINC000504911908 1038849731 /nfs/dbraw/zinc/84/97/31/1038849731.db2.gz NLPNQWCDWOWVBO-HNNXBMFYSA-N 1 0 344.411 4.113 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(OC(F)F)c2)cccc1[N+](=O)[O-] ZINC000089520281 1038858841 /nfs/dbraw/zinc/85/88/41/1038858841.db2.gz SBZPPNPCPRPPOB-GFCCVEGCSA-N 1 0 336.338 4.355 20 5 EIBDRO Cc1cccc(CN(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000534077147 1039094198 /nfs/dbraw/zinc/09/41/98/1039094198.db2.gz IPJURZSBVZQWNQ-UHFFFAOYSA-N 1 0 337.379 4.190 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000534329300 1039326609 /nfs/dbraw/zinc/32/66/09/1039326609.db2.gz ZZBNCGXPMHOKKF-QWHCGFSZSA-N 1 0 334.441 4.337 20 5 EIBDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2cccnc21 ZINC000481438981 1039414957 /nfs/dbraw/zinc/41/49/57/1039414957.db2.gz SOJWIMXEOYQYFC-GOSISDBHSA-N 1 0 325.412 4.279 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)cc1[N+](=O)[O-] ZINC000534646231 1039624407 /nfs/dbraw/zinc/62/44/07/1039624407.db2.gz MMTMHNCGVPTFJB-LJQANCHMSA-N 1 0 344.386 4.292 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]CCc2nc3c(s2)CCCC3)cc1[N+](=O)[O-] ZINC000089667027 1039727503 /nfs/dbraw/zinc/72/75/03/1039727503.db2.gz RKGWPAAWJCQMOJ-ZDUSSCGKSA-N 1 0 345.468 4.132 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)c(F)c1 ZINC000478383218 1039730843 /nfs/dbraw/zinc/73/08/43/1039730843.db2.gz JLFWHGGBSOBSPR-GXFFZTMASA-N 1 0 334.313 4.192 20 5 EIBDRO CC(C)c1ccc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000061003170 1039781849 /nfs/dbraw/zinc/78/18/49/1039781849.db2.gz ZGPNKOOYQXPUTH-UHFFFAOYSA-N 1 0 333.476 4.117 20 5 EIBDRO CCc1nc2c(s1)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000478497937 1039790595 /nfs/dbraw/zinc/79/05/95/1039790595.db2.gz LLJVHBYUARCVGQ-ZDUSSCGKSA-N 1 0 331.441 4.089 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000481817865 1039839817 /nfs/dbraw/zinc/83/98/17/1039839817.db2.gz TWBOOAGZNNGRDQ-CABCVRRESA-N 1 0 344.386 4.168 20 5 EIBDRO C[C@@]12CC[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]1C2(F)F ZINC000430095392 1039840264 /nfs/dbraw/zinc/84/02/64/1039840264.db2.gz CWZBHQUDHRQLEV-DLBZAZTESA-N 1 0 348.349 4.332 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)c(F)c1 ZINC000481813906 1039843069 /nfs/dbraw/zinc/84/30/69/1039843069.db2.gz LLOJLPPOHKIAJH-GXTWGEPZSA-N 1 0 332.350 4.299 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCO2 ZINC000192640662 1039857600 /nfs/dbraw/zinc/85/76/00/1039857600.db2.gz MNIDTCZUZFABEX-SJKOYZFVSA-N 1 0 340.379 4.052 20 5 EIBDRO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000481951092 1039910062 /nfs/dbraw/zinc/91/00/62/1039910062.db2.gz GFOOMVRFMURAQI-YJBOKZPZSA-N 1 0 345.443 4.230 20 5 EIBDRO CO[C@@H](C)CC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482095676 1040009744 /nfs/dbraw/zinc/00/97/44/1040009744.db2.gz DGNQHAAFWYLIRG-QWHCGFSZSA-N 1 0 334.441 4.399 20 5 EIBDRO CCOc1cccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192681565 1040058921 /nfs/dbraw/zinc/05/89/21/1040058921.db2.gz PVZLRIJHGHFSJE-IBGZPJMESA-N 1 0 326.396 4.161 20 5 EIBDRO C[C@H]1CCCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000482295649 1040149038 /nfs/dbraw/zinc/14/90/38/1040149038.db2.gz MINBXTUPZMLHPL-ZDUSSCGKSA-N 1 0 331.441 4.340 20 5 EIBDRO COc1ccsc1[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000514754547 1040204674 /nfs/dbraw/zinc/20/46/74/1040204674.db2.gz XBXKWCGFMFOGII-NSHDSACASA-N 1 0 345.424 4.040 20 5 EIBDRO CC(C)=CCC[C@H](C)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000482440459 1040249067 /nfs/dbraw/zinc/24/90/67/1040249067.db2.gz RHFCRYCDTHLOMF-INIZCTEOSA-N 1 0 334.464 4.201 20 5 EIBDRO C[C@@H]1C[C@H](C)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000535545431 1040347466 /nfs/dbraw/zinc/34/74/66/1040347466.db2.gz KLRZDAIRDNCPPC-ZIAGYGMSSA-N 1 0 329.400 4.118 20 5 EIBDRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000551535471 1040392066 /nfs/dbraw/zinc/39/20/66/1040392066.db2.gz XAWXUFSQZFSRDE-UYVJDWJCSA-N 1 0 340.423 4.446 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000029842245 1040466055 /nfs/dbraw/zinc/46/60/55/1040466055.db2.gz SFOHJYNGADEHGZ-HNNXBMFYSA-N 1 0 340.423 4.404 20 5 EIBDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000479556615 1040467659 /nfs/dbraw/zinc/46/76/59/1040467659.db2.gz LTLDRUNILLIJBP-IBGZPJMESA-N 1 0 326.396 4.113 20 5 EIBDRO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482894907 1040557004 /nfs/dbraw/zinc/55/70/04/1040557004.db2.gz XRFQXAXZDRIJRE-KPZWWZAWSA-N 1 0 346.452 4.135 20 5 EIBDRO COc1ccc(C[N@H+](Cc2ccccc2)[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000515256379 1040615982 /nfs/dbraw/zinc/61/59/82/1040615982.db2.gz YIOYKVJOFMUMRW-OAHLLOKOSA-N 1 0 340.423 4.404 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000152862590 1040648724 /nfs/dbraw/zinc/64/87/24/1040648724.db2.gz DGCCNTQOTNEKCN-SWLSCSKDSA-N 1 0 330.384 4.315 20 5 EIBDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000539678853 1040699017 /nfs/dbraw/zinc/69/90/17/1040699017.db2.gz AOWAJNASVOUTFA-CGTJXYLNSA-N 1 0 334.460 4.099 20 5 EIBDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000515550938 1040848149 /nfs/dbraw/zinc/84/81/49/1040848149.db2.gz YWYQQPIIJRRJIG-CYBMUJFWSA-N 1 0 325.840 4.172 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000483442372 1040861996 /nfs/dbraw/zinc/86/19/96/1040861996.db2.gz UWQMVKNBJRFMNL-KBXCAEBGSA-N 1 0 340.423 4.289 20 5 EIBDRO CC[NH+](CC)Cc1cccc(CNc2cc(OC)ccc2[N+](=O)[O-])c1 ZINC000462780332 1040919804 /nfs/dbraw/zinc/91/98/04/1040919804.db2.gz UJRPVOKNEAKURA-UHFFFAOYSA-N 1 0 343.427 4.057 20 5 EIBDRO COc1cccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000537976651 1040947061 /nfs/dbraw/zinc/94/70/61/1040947061.db2.gz FHXBKIBZSNBHDQ-GJZGRUSLSA-N 1 0 328.412 4.194 20 5 EIBDRO COc1cccc([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000537987154 1040961795 /nfs/dbraw/zinc/96/17/95/1040961795.db2.gz MPNXQPSHIAFDHD-HNNXBMFYSA-N 1 0 328.412 4.277 20 5 EIBDRO CCC[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000483730886 1040986091 /nfs/dbraw/zinc/98/60/91/1040986091.db2.gz OVWQXAZXIADCDH-FJIDUMEYSA-N 1 0 332.444 4.229 20 5 EIBDRO COc1ccc([C@@H](C)CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000483761637 1041003216 /nfs/dbraw/zinc/00/32/16/1041003216.db2.gz XXUCXAVHYDNTGU-LSDHHAIUSA-N 1 0 328.412 4.448 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]CCCCF)ccc1Oc1ccc(F)cc1 ZINC000462852161 1041024872 /nfs/dbraw/zinc/02/48/72/1041024872.db2.gz GCQZTTLKALUETM-UHFFFAOYSA-N 1 0 336.338 4.366 20 5 EIBDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000540066614 1041071397 /nfs/dbraw/zinc/07/13/97/1041071397.db2.gz MHYPWFDNAZFVSE-HNAYVOBHSA-N 1 0 344.411 4.148 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000540148975 1041175987 /nfs/dbraw/zinc/17/59/87/1041175987.db2.gz FXEPHJHWTBFRMW-VBHSOAQHSA-N 1 0 332.375 4.161 20 5 EIBDRO Cn1cc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])c2ccc(Cl)cc21 ZINC000436403638 1041208594 /nfs/dbraw/zinc/20/85/94/1041208594.db2.gz BBXPBAHCEPCNRA-UHFFFAOYSA-N 1 0 343.814 4.072 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000540220162 1041284725 /nfs/dbraw/zinc/28/47/25/1041284725.db2.gz KHDAEMBMXFVKAH-ZYKCCNLVSA-N 1 0 326.396 4.199 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000480453529 1041300840 /nfs/dbraw/zinc/30/08/40/1041300840.db2.gz LDPGGXLZEBMNPM-UHFFFAOYSA-N 1 0 326.396 4.161 20 5 EIBDRO CC1(C)C[C@H]([NH2+]C[C@H]2COc3ccccc32)c2cc([N+](=O)[O-])ccc21 ZINC000516268544 1041491432 /nfs/dbraw/zinc/49/14/32/1041491432.db2.gz IFMJNVCOMGYOOP-UGSOOPFHSA-N 1 0 338.407 4.083 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H](CCO)c1ccccc1 ZINC000470177024 1041550956 /nfs/dbraw/zinc/55/09/56/1041550956.db2.gz OIXIVNKBTCOEQW-MQMQVCBVSA-N 1 0 340.423 4.054 20 5 EIBDRO CCO[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000516389536 1041560335 /nfs/dbraw/zinc/56/03/35/1041560335.db2.gz JCGVPWGJKYJTMC-DNVCBOLYSA-N 1 0 328.412 4.332 20 5 EIBDRO Cc1c(C[N@@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000463451202 1041574313 /nfs/dbraw/zinc/57/43/13/1041574313.db2.gz NJOLLJVUCFXOEO-HIFRSBDPSA-N 1 0 330.350 4.456 20 5 EIBDRO Cc1c(C[NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000516500546 1041608225 /nfs/dbraw/zinc/60/82/25/1041608225.db2.gz YMHHUENBIGUDMA-BUXKBTBVSA-N 1 0 328.387 4.456 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(CCc3ccc(O)cc3)CC2)c1 ZINC000516737946 1041722420 /nfs/dbraw/zinc/72/24/20/1041722420.db2.gz VVWHXTBODOEEOL-UHFFFAOYSA-N 1 0 340.423 4.145 20 5 EIBDRO COc1cc(C[NH2+][C@H](c2ccccc2C)C2CC2)c([N+](=O)[O-])cc1F ZINC000464488541 1042036285 /nfs/dbraw/zinc/03/62/85/1042036285.db2.gz BKXWQHOGWLDAIR-IBGZPJMESA-N 1 0 344.386 4.292 20 5 EIBDRO Cc1ccc2cc(CN3CCc4ccc([N+](=O)[O-])cc4C3)ccc2n1 ZINC000438119845 1042062581 /nfs/dbraw/zinc/06/25/81/1042062581.db2.gz UQDFQMOGOPSAPE-UHFFFAOYSA-N 1 0 333.391 4.010 20 5 EIBDRO C[C@@H](c1cccc(F)c1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464778135 1042158882 /nfs/dbraw/zinc/15/88/82/1042158882.db2.gz RAQNLTHPOGPHCG-AWEZNQCLSA-N 1 0 344.386 4.338 20 5 EIBDRO C[C@@H](C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000464785039 1042162567 /nfs/dbraw/zinc/16/25/67/1042162567.db2.gz KWBBLQQOPVYVQH-INIZCTEOSA-N 1 0 340.423 4.242 20 5 EIBDRO CO[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(C)(C)C ZINC000464999372 1042270306 /nfs/dbraw/zinc/27/03/06/1042270306.db2.gz BVRVKNRBUPTYPT-KRWDZBQOSA-N 1 0 348.468 4.474 20 5 EIBDRO CCOc1cccc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000517962504 1042293252 /nfs/dbraw/zinc/29/32/52/1042293252.db2.gz XZPOTMBRRZEXCZ-FZKQIMNGSA-N 1 0 326.396 4.332 20 5 EIBDRO CC(C)(C)[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000542320591 1042387858 /nfs/dbraw/zinc/38/78/58/1042387858.db2.gz QYMKUINNSYEQGW-OAHLLOKOSA-N 1 0 343.427 4.160 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000271815518 1042412579 /nfs/dbraw/zinc/41/25/79/1042412579.db2.gz BIDKTMZRXRQIKC-SDDDUWNISA-N 1 0 348.349 4.054 20 5 EIBDRO COc1ccccc1C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000518263400 1042439474 /nfs/dbraw/zinc/43/94/74/1042439474.db2.gz MVJUZNYEKGMLHM-UHFFFAOYSA-N 1 0 340.423 4.205 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+]CC3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000518269478 1042443195 /nfs/dbraw/zinc/44/31/95/1042443195.db2.gz CHKZHGMQCJHFAG-UHFFFAOYSA-N 1 0 330.384 4.143 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000271855633 1042461562 /nfs/dbraw/zinc/46/15/62/1042461562.db2.gz YGWUXOSTAJCBID-STQMWFEESA-N 1 0 329.356 4.223 20 5 EIBDRO CC(C)Oc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000492039395 1042541578 /nfs/dbraw/zinc/54/15/78/1042541578.db2.gz CLAPNVPSIPWUFD-UHFFFAOYSA-N 1 0 328.412 4.407 20 5 EIBDRO CCOc1cc(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000492377857 1042627863 /nfs/dbraw/zinc/62/78/63/1042627863.db2.gz QTLSBJKCIXLLFL-ZDUSSCGKSA-N 1 0 332.375 4.326 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000439470748 1042640872 /nfs/dbraw/zinc/64/08/72/1042640872.db2.gz QILPUHAPEWDDEI-GFCCVEGCSA-N 1 0 332.425 4.176 20 5 EIBDRO COc1ccc(C[N@H+]([C@@H](C)c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000506591939 1042651607 /nfs/dbraw/zinc/65/16/07/1042651607.db2.gz DOARZZYQQWKWBK-AWEZNQCLSA-N 1 0 326.396 4.329 20 5 EIBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2c2ccsc2)ccc1[N+](=O)[O-] ZINC000492464381 1042659648 /nfs/dbraw/zinc/65/96/48/1042659648.db2.gz SMPRZPUMAOUKLP-HNNXBMFYSA-N 1 0 332.425 4.392 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000609157506 1042668282 /nfs/dbraw/zinc/66/82/82/1042668282.db2.gz YJFAAYKVUOBKPV-UHFFFAOYSA-N 1 0 328.387 4.336 20 5 EIBDRO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H]1CCCCO1 ZINC000761511677 1042873907 /nfs/dbraw/zinc/87/39/07/1042873907.db2.gz NUQBYDNYODITJH-CQSZACIVSA-N 1 0 326.824 4.029 20 5 EIBDRO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761527384 1042876068 /nfs/dbraw/zinc/87/60/68/1042876068.db2.gz UTGQFUXEXCLFKG-CZUORRHYSA-N 1 0 340.851 4.179 20 5 EIBDRO Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)CCC2 ZINC000761533487 1042877933 /nfs/dbraw/zinc/87/79/33/1042877933.db2.gz QQGHVYANDJMJKP-GFCCVEGCSA-N 1 0 337.832 4.180 20 5 EIBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000520597109 1042919589 /nfs/dbraw/zinc/91/95/89/1042919589.db2.gz VROFOJLMUOEYDY-KRWDZBQOSA-N 1 0 340.423 4.372 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C)[C@H](O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000766029237 1043059651 /nfs/dbraw/zinc/05/96/51/1043059651.db2.gz POSHQVIUHGGYDC-VMDGZTHMSA-N 1 0 346.402 4.287 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCc3nccs3)o2)cc1 ZINC000347831026 1043151038 /nfs/dbraw/zinc/15/10/38/1043151038.db2.gz LMVWGABQVVHLPL-UHFFFAOYSA-N 1 0 343.408 4.034 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2O1 ZINC000133316334 1043255007 /nfs/dbraw/zinc/25/50/07/1043255007.db2.gz HAQQZCHWUMDUFN-MRXNPFEDSA-N 1 0 330.359 4.126 20 5 EIBDRO CC(C)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCC1 ZINC000077357042 1043292956 /nfs/dbraw/zinc/29/29/56/1043292956.db2.gz YZSCNPOXDNXYCS-UHFFFAOYSA-N 1 0 329.400 4.055 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000058829590 1043297657 /nfs/dbraw/zinc/29/76/57/1043297657.db2.gz UNLGCZZPBZCRPC-UHFFFAOYSA-N 1 0 337.379 4.116 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](c2cccnc2)C(C)C)cc1[N+](=O)[O-] ZINC000164147957 1043301995 /nfs/dbraw/zinc/30/19/95/1043301995.db2.gz OLSIWTXNWYJNAF-QAPCUYQASA-N 1 0 327.428 4.389 20 5 EIBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](CC2CC2)c2ccccc2)c1 ZINC001168751685 1043310424 /nfs/dbraw/zinc/31/04/24/1043310424.db2.gz XQCPDLIRGAAUJC-LJQANCHMSA-N 1 0 326.396 4.105 20 5 EIBDRO O=[N+]([O-])c1ccc(OCCC[NH2+]C2(c3ccccc3)CCC2)cc1 ZINC000609193475 1043447068 /nfs/dbraw/zinc/44/70/68/1043447068.db2.gz JMAMCUZJLVVUBU-UHFFFAOYSA-N 1 0 326.396 4.033 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3ccc(F)c(F)c3)CC2)cc1 ZINC000609194804 1043447665 /nfs/dbraw/zinc/44/76/65/1043447665.db2.gz KZBAMKIYEJQAED-UHFFFAOYSA-N 1 0 346.377 4.295 20 5 EIBDRO COc1ccc(C[NH2+]CC(C)(C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000520946764 1043447701 /nfs/dbraw/zinc/44/77/01/1043447701.db2.gz GZGGXGIYYQRLDZ-UHFFFAOYSA-N 1 0 348.830 4.324 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000544385570 1043687399 /nfs/dbraw/zinc/68/73/99/1043687399.db2.gz MNLCOLWAUUPPRE-QGZVFWFLSA-N 1 0 326.396 4.116 20 5 EIBDRO Cc1cnn(CCCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000171920518 1043696103 /nfs/dbraw/zinc/69/61/03/1043696103.db2.gz GCHBGZKZTIGZKE-UHFFFAOYSA-N 1 0 344.459 4.181 20 5 EIBDRO CCC(CC)[C@@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000521377313 1043730781 /nfs/dbraw/zinc/73/07/81/1043730781.db2.gz DJMJYZNVPBMSCP-KRWDZBQOSA-N 1 0 348.468 4.210 20 5 EIBDRO CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000731355542 1043740167 /nfs/dbraw/zinc/74/01/67/1043740167.db2.gz FENVKUZZYQPOQI-CQSZACIVSA-N 1 0 346.402 4.196 20 5 EIBDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000494638721 1043868065 /nfs/dbraw/zinc/86/80/65/1043868065.db2.gz WIYKQJGTIAUHKQ-DOXZYTNZSA-N 1 0 328.412 4.330 20 5 EIBDRO O=[N+]([O-])c1ccc2nc(NCCCCC[NH+]3CCCCC3)sc2c1 ZINC000732050035 1043872919 /nfs/dbraw/zinc/87/29/19/1043872919.db2.gz JEGSSOTUCTVPLH-UHFFFAOYSA-N 1 0 348.472 4.273 20 5 EIBDRO C[C@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000173407389 1043947472 /nfs/dbraw/zinc/94/74/72/1043947472.db2.gz DDKJMPHLZYENKF-AWEZNQCLSA-N 1 0 349.390 4.037 20 5 EIBDRO CC[C@H]([NH2+]CCCOCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000358060613 1044138204 /nfs/dbraw/zinc/13/82/04/1044138204.db2.gz KNALNRLJZJTPFI-IBGZPJMESA-N 1 0 328.412 4.242 20 5 EIBDRO C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000543227678 1044192927 /nfs/dbraw/zinc/19/29/27/1044192927.db2.gz KJRRINDYFPVEIQ-HUUCEWRRSA-N 1 0 344.411 4.150 20 5 EIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCc3ccccc32)c1 ZINC000522063188 1044205713 /nfs/dbraw/zinc/20/57/13/1044205713.db2.gz PLAKSOPFKRIGFU-ZDUSSCGKSA-N 1 0 348.349 4.016 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000466343095 1044297157 /nfs/dbraw/zinc/29/71/57/1044297157.db2.gz IJHCVSOPAIYFTM-CEXWTWQISA-N 1 0 346.471 4.102 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC(c2ccccc2)C1 ZINC000466427074 1044446353 /nfs/dbraw/zinc/44/63/53/1044446353.db2.gz ZKRRLZNXSZFLAM-UHFFFAOYSA-N 1 0 326.396 4.029 20 5 EIBDRO O=[N+]([O-])c1ccsc1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000301977713 1044527279 /nfs/dbraw/zinc/52/72/79/1044527279.db2.gz DQPBUZVHADUVQQ-LBPRGKRZSA-N 1 0 337.470 4.042 20 5 EIBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494970647 1044551056 /nfs/dbraw/zinc/55/10/56/1044551056.db2.gz OQFMAGIQOBBCDX-MISYRCLQSA-N 1 0 340.423 4.089 20 5 EIBDRO CCC(CC)(CO)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494987236 1044572224 /nfs/dbraw/zinc/57/22/24/1044572224.db2.gz IJYNJXLDWQFPHP-LJQANCHMSA-N 1 0 342.439 4.073 20 5 EIBDRO Cc1c([C@H](C)[NH2+]CCc2ccc(F)c(F)c2F)cccc1[N+](=O)[O-] ZINC000543429956 1044593488 /nfs/dbraw/zinc/59/34/88/1044593488.db2.gz RLYFJYULNABKCG-NSHDSACASA-N 1 0 338.329 4.214 20 5 EIBDRO Cc1cnccc1CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000495045637 1044620106 /nfs/dbraw/zinc/62/01/06/1044620106.db2.gz IEINTASBXCTCBI-OAQYLSRUSA-N 1 0 347.418 4.220 20 5 EIBDRO Cc1cnccc1CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000495045636 1044621312 /nfs/dbraw/zinc/62/13/12/1044621312.db2.gz IEINTASBXCTCBI-NRFANRHFSA-N 1 0 347.418 4.220 20 5 EIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](C)C1CCCCC1 ZINC000543460912 1044651119 /nfs/dbraw/zinc/65/11/19/1044651119.db2.gz UGUVDYGIUHUHRR-KGLIPLIRSA-N 1 0 348.443 4.156 20 5 EIBDRO C[N@@H+]1CCC[C@@H](CNc2sccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301998245 1044663362 /nfs/dbraw/zinc/66/33/62/1044663362.db2.gz IFRBMDFWHJLNBH-FZMZJTMJSA-N 1 0 337.470 4.213 20 5 EIBDRO COc1cc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000575201184 1044717374 /nfs/dbraw/zinc/71/73/74/1044717374.db2.gz YBRDOCVTSIFMDX-GFCCVEGCSA-N 1 0 334.803 4.150 20 5 EIBDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000922537974 1044805093 /nfs/dbraw/zinc/80/50/93/1044805093.db2.gz LUVIPQJQOIRVNF-CQSZACIVSA-N 1 0 344.411 4.243 20 5 EIBDRO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000093364956 1044833176 /nfs/dbraw/zinc/83/31/76/1044833176.db2.gz DAOLXNFVEUBPGC-OAHLLOKOSA-N 1 0 331.441 4.178 20 5 EIBDRO Cc1csc([C@@H](C)C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000193282671 1044864561 /nfs/dbraw/zinc/86/45/61/1044864561.db2.gz FVKDCGSQYNMKFS-ZBEGNZNMSA-N 1 0 331.441 4.130 20 5 EIBDRO C[C@]1([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CCOc2ccccc21 ZINC000923027130 1044909187 /nfs/dbraw/zinc/90/91/87/1044909187.db2.gz ZJHRLQDKTXSIAF-KRWDZBQOSA-N 1 0 332.787 4.036 20 5 EIBDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000736627149 1044959491 /nfs/dbraw/zinc/95/94/91/1044959491.db2.gz CLFIXOWMOIREBE-GXTWGEPZSA-N 1 0 332.350 4.251 20 5 EIBDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000738312443 1045056639 /nfs/dbraw/zinc/05/66/39/1045056639.db2.gz OKNJWKLHEWEJSU-LSDHHAIUSA-N 1 0 328.387 4.420 20 5 EIBDRO COc1cc(C[N@H+](CC(C)C)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000509386780 1045082340 /nfs/dbraw/zinc/08/23/40/1045082340.db2.gz MSYJOOUOIICLFK-UHFFFAOYSA-N 1 0 346.374 4.071 20 5 EIBDRO Cc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc2cccnc12 ZINC000547286282 1045117415 /nfs/dbraw/zinc/11/74/15/1045117415.db2.gz SMRLMWVQWNZOLR-UHFFFAOYSA-N 1 0 335.407 4.476 20 5 EIBDRO Cc1cc(NCCc2ccc(Cl)nc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302072093 1045159188 /nfs/dbraw/zinc/15/91/88/1045159188.db2.gz HEJKYRMQHNSJJK-UHFFFAOYSA-N 1 0 342.786 4.154 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000162285401 1045244314 /nfs/dbraw/zinc/24/43/14/1045244314.db2.gz ZKBLTGRCBRACSM-OLZOCXBDSA-N 1 0 332.375 4.463 20 5 EIBDRO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@@H]1CCOC1 ZINC000611256609 1045269644 /nfs/dbraw/zinc/26/96/44/1045269644.db2.gz JPRQUJMDDPAZGT-AWEZNQCLSA-N 1 0 346.452 4.182 20 5 EIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2C3CCCC2CCC3)c1 ZINC000611274076 1045271562 /nfs/dbraw/zinc/27/15/62/1045271562.db2.gz MZUBITVBTZYICS-UHFFFAOYSA-N 1 0 326.343 4.103 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000611466086 1045313054 /nfs/dbraw/zinc/31/30/54/1045313054.db2.gz XGCADGLCIQNYGD-DOMZBBRYSA-N 1 0 334.803 4.342 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(F)(F)C1 ZINC000611475686 1045315574 /nfs/dbraw/zinc/31/55/74/1045315574.db2.gz ABMLGSACFMTIRU-NWDGAFQWSA-N 1 0 330.400 4.243 20 5 EIBDRO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000611516767 1045321088 /nfs/dbraw/zinc/32/10/88/1045321088.db2.gz WDUSORJMHCZAKJ-CVEARBPZSA-N 1 0 348.443 4.020 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000790994592 1045650035 /nfs/dbraw/zinc/65/00/35/1045650035.db2.gz DFJDKFMMTYHLJT-OAHLLOKOSA-N 1 0 338.835 4.220 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)COc2ccccc2)cc1[N+](=O)[O-] ZINC000768100822 1045713601 /nfs/dbraw/zinc/71/36/01/1045713601.db2.gz ZATYMPIWTAVVOV-GJZGRUSLSA-N 1 0 344.411 4.112 20 5 EIBDRO COCCCC[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000791613710 1045775331 /nfs/dbraw/zinc/77/53/31/1045775331.db2.gz ZKOJFMJJGWDCLI-SFHVURJKSA-N 1 0 346.402 4.382 20 5 EIBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000301121240 1045895529 /nfs/dbraw/zinc/89/55/29/1045895529.db2.gz XCXRGUSQDYNXQS-OAHLLOKOSA-N 1 0 342.443 4.210 20 5 EIBDRO Cc1nc(C(C)(C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])sc1C ZINC000076904203 1045952053 /nfs/dbraw/zinc/95/20/53/1045952053.db2.gz OCBXINFGTLTYGL-VQHVLOKHSA-N 1 0 331.441 4.206 20 5 EIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+]([C@H]3CCc4ccccc43)CC2)cc1 ZINC000614962387 1045968096 /nfs/dbraw/zinc/96/80/96/1045968096.db2.gz AFRQRECIDLQFCJ-FQEVSTJZSA-N 1 0 338.407 4.126 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(SC)cc2)c([N+](=O)[O-])c1 ZINC001170295805 1045981052 /nfs/dbraw/zinc/98/10/52/1045981052.db2.gz FHQKBQQLGUBHFW-ZDUSSCGKSA-N 1 0 346.452 4.046 20 5 EIBDRO C[C@H]1CCC[C@](CNc2ccc([N+](=O)[O-])c3cnccc23)([NH+](C)C)C1 ZINC000326532387 1045981955 /nfs/dbraw/zinc/98/19/55/1045981955.db2.gz WWRWPPZAULVEMG-LIRRHRJNSA-N 1 0 342.443 4.065 20 5 EIBDRO CCC[C@@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1ccncc1 ZINC001170317255 1045997085 /nfs/dbraw/zinc/99/70/85/1045997085.db2.gz DGSAIXQHVMPADA-RDTXWAMCSA-N 1 0 343.427 4.060 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2C)c([N+](=O)[O-])c1 ZINC001170319223 1045997158 /nfs/dbraw/zinc/99/71/58/1045997158.db2.gz VLUCPFVBDSIZOF-KGLIPLIRSA-N 1 0 346.402 4.333 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@@H](C)c3ccccc32)c([N+](=O)[O-])c1 ZINC001170306550 1046004553 /nfs/dbraw/zinc/00/45/53/1046004553.db2.gz XJQIQCVYXYTSBF-BIENJYKASA-N 1 0 340.423 4.373 20 5 EIBDRO CC[N@H+](Cc1cccs1)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170350936 1046022423 /nfs/dbraw/zinc/02/24/23/1046022423.db2.gz CRVWYOJVGVWDHE-ZDUSSCGKSA-N 1 0 334.441 4.118 20 5 EIBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC001170348148 1046023532 /nfs/dbraw/zinc/02/35/32/1046023532.db2.gz VGIUJLFQDJMDKK-KXBFYZLASA-N 1 0 340.423 4.372 20 5 EIBDRO C[C@@H]([NH2+]C1(CNc2ccc([N+](=O)[O-])cn2)CCCC1)c1ccccc1 ZINC000301156225 1046044610 /nfs/dbraw/zinc/04/46/10/1046044610.db2.gz BUPRQADAPDNFRQ-OAHLLOKOSA-N 1 0 340.427 4.065 20 5 EIBDRO C[C@H]1OCC[C@]12C[N@H+](Cc1c3ccccc3cc3ccccc31)CCO2 ZINC000793230980 1046178154 /nfs/dbraw/zinc/17/81/54/1046178154.db2.gz JADHVZCSERKNQR-HXOBKFHXSA-N 1 0 347.458 4.373 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](O)c1ccccc1 ZINC000793241742 1046188034 /nfs/dbraw/zinc/18/80/34/1046188034.db2.gz XHPORMNUYCBINZ-MSOLQXFVSA-N 1 0 348.830 4.240 20 5 EIBDRO COC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000193276529 1046210754 /nfs/dbraw/zinc/21/07/54/1046210754.db2.gz JWNJOEDWIHKNKQ-INIZCTEOSA-N 1 0 334.803 4.034 20 5 EIBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)c1ccc(Cl)cc1 ZINC000193278376 1046211112 /nfs/dbraw/zinc/21/11/12/1046211112.db2.gz HJWSLHYNXDFBQY-KRWDZBQOSA-N 1 0 334.803 4.034 20 5 EIBDRO C[C@@H](CCO)[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000772391107 1046630056 /nfs/dbraw/zinc/63/00/56/1046630056.db2.gz VQEFJGKSHWDVLR-AWEZNQCLSA-N 1 0 348.830 4.021 20 5 EIBDRO C[C@H](CCO)[N@H+](Cc1ccccc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000772387381 1046631849 /nfs/dbraw/zinc/63/18/49/1046631849.db2.gz HRYQWKCSNPFPJW-CQSZACIVSA-N 1 0 348.830 4.021 20 5 EIBDRO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000536683523 1046683254 /nfs/dbraw/zinc/68/32/54/1046683254.db2.gz YFFFYFWXZUYPQQ-QGZVFWFLSA-N 1 0 326.396 4.249 20 5 EIBDRO Cc1ccc(N2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000917212447 1046815944 /nfs/dbraw/zinc/81/59/44/1046815944.db2.gz SREUAKDWNRTQPJ-KRWDZBQOSA-N 1 0 339.439 4.177 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc3c(c(Cl)c2)OCO3)cc1[N+](=O)[O-] ZINC000537178696 1047011055 /nfs/dbraw/zinc/01/10/55/1047011055.db2.gz WXXNVPPXCMDAIX-NSHDSACASA-N 1 0 348.786 4.136 20 5 EIBDRO CCCC1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000537324269 1047108734 /nfs/dbraw/zinc/10/87/34/1047108734.db2.gz UYPUQUVNVNPCAA-UHFFFAOYSA-N 1 0 342.443 4.055 20 5 EIBDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788481040 1047198452 /nfs/dbraw/zinc/19/84/52/1047198452.db2.gz OZRFBGAUOQMYPC-SWLSCSKDSA-N 1 0 332.350 4.251 20 5 EIBDRO CC(C)COc1ccccc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788563169 1047226016 /nfs/dbraw/zinc/22/60/16/1047226016.db2.gz OEQVZFVJQCWSMD-AWEZNQCLSA-N 1 0 343.427 4.063 20 5 EIBDRO CC(C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](O)c1ccccc1 ZINC000788535811 1047231868 /nfs/dbraw/zinc/23/18/68/1047231868.db2.gz MRSXJCOQAPIBLG-ROUUACIJSA-N 1 0 348.830 4.096 20 5 EIBDRO COc1ccc(C2([NH2+]Cc3cccc([N+](=O)[O-])c3C)CCCC2)cc1 ZINC000747328240 1047255813 /nfs/dbraw/zinc/25/58/13/1047255813.db2.gz IHRDUUXKFJQPDF-UHFFFAOYSA-N 1 0 340.423 4.471 20 5 EIBDRO C[C@@H]([NH2+]CCCSc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788653902 1047265343 /nfs/dbraw/zinc/26/53/43/1047265343.db2.gz ZOYMZPUQCMGOAE-CYBMUJFWSA-N 1 0 331.441 4.010 20 5 EIBDRO C[C@H]([NH2+]C1(c2cccc(Cl)c2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788700235 1047270728 /nfs/dbraw/zinc/27/07/28/1047270728.db2.gz AWKZOWNJSPKHRN-NSHDSACASA-N 1 0 331.803 4.170 20 5 EIBDRO C[C@H]([NH2+]CC1CC(c2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788816250 1047317262 /nfs/dbraw/zinc/31/72/62/1047317262.db2.gz FFGKVOFTKGPDPX-CBCUQQMYSA-N 1 0 325.412 4.021 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c(Cl)c1 ZINC001170536059 1047517999 /nfs/dbraw/zinc/51/79/99/1047517999.db2.gz KFKKZPHJEKGLRN-LBPRGKRZSA-N 1 0 334.778 4.377 20 5 EIBDRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000089513204 1047774082 /nfs/dbraw/zinc/77/40/82/1047774082.db2.gz AMTMUGVHEIUTFK-GFCCVEGCSA-N 1 0 336.338 4.355 20 5 EIBDRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000089513205 1047774477 /nfs/dbraw/zinc/77/44/77/1047774477.db2.gz AMTMUGVHEIUTFK-LBPRGKRZSA-N 1 0 336.338 4.355 20 5 EIBDRO COc1ccc(C[NH2+][C@H](C)c2cccc(C3CC3)c2)cc1[N+](=O)[O-] ZINC000550628420 1047779539 /nfs/dbraw/zinc/77/95/39/1047779539.db2.gz HUEHHRKAHZKRCF-CYBMUJFWSA-N 1 0 326.396 4.332 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815556348 1048508102 /nfs/dbraw/zinc/50/81/02/1048508102.db2.gz SZFFHAZGMHVGIM-JTQLQIEISA-N 1 0 339.317 4.047 20 5 EIBDRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815575639 1048518819 /nfs/dbraw/zinc/51/88/19/1048518819.db2.gz WWMWBBFFTGRABO-BFUOFWGJSA-N 1 0 325.412 4.369 20 5 EIBDRO CC(C)(CO)[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000809992506 1048591449 /nfs/dbraw/zinc/59/14/49/1048591449.db2.gz UXEUELNYXFUOOH-KRWDZBQOSA-N 1 0 348.830 4.098 20 5 EIBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCOC(C)(C)C1 ZINC000810043996 1048607014 /nfs/dbraw/zinc/60/70/14/1048607014.db2.gz VUWRPJFLGFVTQM-AWEZNQCLSA-N 1 0 326.824 4.028 20 5 EIBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cc([N+](=O)[O-])cc4cc[nH]c43)c2c1 ZINC001171168103 1048614916 /nfs/dbraw/zinc/61/49/16/1048614916.db2.gz JYXYUCHJBCUXNP-CYBMUJFWSA-N 1 0 348.406 4.218 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000846103222 1048821590 /nfs/dbraw/zinc/82/15/90/1048821590.db2.gz UJTUHWNWMCBGML-VUUYWXRKSA-N 1 0 329.227 4.172 20 5 EIBDRO CC(C)CCOCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811476365 1049095767 /nfs/dbraw/zinc/09/57/67/1049095767.db2.gz JOSCOCLKJNOGRR-UHFFFAOYSA-N 1 0 335.231 4.054 20 5 EIBDRO [NH3+]CCc1cc2ccccc2n1-c1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001171304417 1049151061 /nfs/dbraw/zinc/15/10/61/1049151061.db2.gz SLZKIAXZNVXXDP-CSKARUKUSA-N 1 0 341.798 4.033 20 5 EIBDRO COc1ccccc1[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000609626472 1049212085 /nfs/dbraw/zinc/21/20/85/1049212085.db2.gz ZDTZNFYWOYQMDW-LJQANCHMSA-N 1 0 340.423 4.373 20 5 EIBDRO COc1ccc([C@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)cc1 ZINC000609705148 1049278729 /nfs/dbraw/zinc/27/87/29/1049278729.db2.gz VLDGZCZYSXEPKA-AWEZNQCLSA-N 1 0 346.814 4.246 20 5 EIBDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000609916156 1049394502 /nfs/dbraw/zinc/39/45/02/1049394502.db2.gz BMQUZKWSBIGQRI-JSGCOSHPSA-N 1 0 332.350 4.251 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000609916182 1049395230 /nfs/dbraw/zinc/39/52/30/1049395230.db2.gz DKVNTJKHNYSCQV-GDBMZVCRSA-N 1 0 328.387 4.360 20 5 EIBDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000609916154 1049396939 /nfs/dbraw/zinc/39/69/39/1049396939.db2.gz BMQUZKWSBIGQRI-GXTWGEPZSA-N 1 0 332.350 4.251 20 5 EIBDRO CC[C@H]([NH2+]CCNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000610008206 1049480356 /nfs/dbraw/zinc/48/03/56/1049480356.db2.gz JBWAHVIAXZKVGJ-HNNXBMFYSA-N 1 0 335.354 4.026 20 5 EIBDRO CCc1noc(C)c1[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000773021982 1049535405 /nfs/dbraw/zinc/53/54/05/1049535405.db2.gz ADRBLHMAFVWHIP-ZDUSSCGKSA-N 1 0 331.416 4.127 20 5 EIBDRO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)[C@H](O)c1ccccc1 ZINC000812849678 1049611117 /nfs/dbraw/zinc/61/11/17/1049611117.db2.gz RFAHPSYOPDTLGW-ACJLOTCBSA-N 1 0 348.830 4.192 20 5 EIBDRO CC(=O)N1CCC[N@H+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC000179813253 1049767891 /nfs/dbraw/zinc/76/78/91/1049767891.db2.gz LSVXCVYJBXINOF-UHFFFAOYSA-N 1 0 332.447 4.047 20 5 EIBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001171018508 1049851521 /nfs/dbraw/zinc/85/15/21/1049851521.db2.gz PXPINNOUMNDEAI-UXHICEINSA-N 1 0 340.423 4.242 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCc3ccc(F)cc31)CC2 ZINC001172899500 1050202663 /nfs/dbraw/zinc/20/26/63/1050202663.db2.gz CFMSZXWGMPCLDZ-YLJYHZDGSA-N 1 0 340.398 4.258 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773667093 1050206473 /nfs/dbraw/zinc/20/64/73/1050206473.db2.gz LQSUWPFZWOFVNH-ZDUSSCGKSA-N 1 0 343.814 4.494 20 5 EIBDRO CC1(C)CC([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC(C)(C)O1 ZINC001172913616 1050231078 /nfs/dbraw/zinc/23/10/78/1050231078.db2.gz XSGZSNVKPZBKEG-MRXNPFEDSA-N 1 0 346.471 4.168 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccnc3ccccc13)CC2 ZINC001172895789 1050232546 /nfs/dbraw/zinc/23/25/46/1050232546.db2.gz IZPKDVOBHJPEHO-GOSISDBHSA-N 1 0 347.418 4.180 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H](c3ccccc3)C1)CC2 ZINC001172909592 1050246052 /nfs/dbraw/zinc/24/60/52/1050246052.db2.gz TYMRMBWNTLAFGW-WOJBJXKFSA-N 1 0 336.435 4.332 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CC(c3ccccc3)C1)CC2 ZINC001172912127 1050246670 /nfs/dbraw/zinc/24/66/70/1050246670.db2.gz MIYVYQWAYAUIDD-GPJFCIFZSA-N 1 0 336.435 4.378 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1C[C@@H]1c1ccc(F)cc1)CC2 ZINC001172913097 1050249075 /nfs/dbraw/zinc/24/90/75/1050249075.db2.gz TYQRVMBPOBPCRO-MISYRCLQSA-N 1 0 340.398 4.127 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000090844939 1050280749 /nfs/dbraw/zinc/28/07/49/1050280749.db2.gz JLDFJXQDWVNYGZ-ZQIUZPCESA-N 1 0 326.396 4.119 20 5 EIBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001177835699 1050313596 /nfs/dbraw/zinc/31/35/96/1050313596.db2.gz USUVARPHBOTOFY-QGZVFWFLSA-N 1 0 347.503 4.202 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2C)c1F ZINC001173176013 1050334299 /nfs/dbraw/zinc/33/42/99/1050334299.db2.gz FNUCKMQUDZRIOA-MELADBBJSA-N 1 0 338.423 4.089 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])c1ccccc1 ZINC001173177353 1050335599 /nfs/dbraw/zinc/33/55/99/1050335599.db2.gz SZMHCJKZMZRQGN-CZUORRHYSA-N 1 0 346.402 4.414 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)C2)c1F ZINC001173180498 1050336737 /nfs/dbraw/zinc/33/67/37/1050336737.db2.gz RBFZZZALWKMPTB-CHWSQXEVSA-N 1 0 338.423 4.089 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CCC(C)(C)C2)c1F ZINC001173180505 1050337209 /nfs/dbraw/zinc/33/72/09/1050337209.db2.gz RBFZZZALWKMPTB-STQMWFEESA-N 1 0 338.423 4.089 20 5 EIBDRO CC[N@H+](Cc1ccccc1)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184375 1050337612 /nfs/dbraw/zinc/33/76/12/1050337612.db2.gz MGEMGUPQOGTSSF-AWEZNQCLSA-N 1 0 346.402 4.196 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C(C)(C)CC2CCC2)c1F ZINC001173180467 1050338259 /nfs/dbraw/zinc/33/82/59/1050338259.db2.gz QXDCPZOJJUXFPP-LBPRGKRZSA-N 1 0 338.423 4.232 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H]2c2ccccc2)c1F ZINC001173196516 1050339738 /nfs/dbraw/zinc/33/97/38/1050339738.db2.gz NEFRFKAKRQPRGC-XJKSGUPXSA-N 1 0 344.386 4.121 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cc(CCC[NH3+])c2ccccc21 ZINC001173215380 1050351451 /nfs/dbraw/zinc/35/14/51/1050351451.db2.gz VUAGOAKIDJDWTE-OAHLLOKOSA-N 1 0 337.423 4.245 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(Cc2ccccc2F)CCC1 ZINC001173220540 1050352799 /nfs/dbraw/zinc/35/27/99/1050352799.db2.gz CVVMMWYNBDWATB-HNNXBMFYSA-N 1 0 342.414 4.420 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC001173218667 1050353204 /nfs/dbraw/zinc/35/32/04/1050353204.db2.gz RNUINNXHCPJKJP-SGTLLEGYSA-N 1 0 330.815 4.456 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)Cc1cccc(F)c1 ZINC001173223177 1050354386 /nfs/dbraw/zinc/35/43/86/1050354386.db2.gz GTNRZXKLUQLZEQ-AWEZNQCLSA-N 1 0 330.403 4.276 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1nc2ccccc2s1 ZINC001173223013 1050354530 /nfs/dbraw/zinc/35/45/30/1050354530.db2.gz WEKAQKMQQJAPNY-ZDUSSCGKSA-N 1 0 341.436 4.268 20 5 EIBDRO COc1c(F)cccc1[C@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173223900 1050354876 /nfs/dbraw/zinc/35/48/76/1050354876.db2.gz BKAGKMCEODYSHC-OLZOCXBDSA-N 1 0 332.375 4.024 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001173224947 1050357709 /nfs/dbraw/zinc/35/77/09/1050357709.db2.gz AASMJKPGVIJDIZ-JXFKEZNVSA-N 1 0 340.423 4.069 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001173233097 1050360748 /nfs/dbraw/zinc/36/07/48/1050360748.db2.gz GZUVXOSWOLCVPA-STQMWFEESA-N 1 0 332.375 4.024 20 5 EIBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001186603073 1050375405 /nfs/dbraw/zinc/37/54/05/1050375405.db2.gz ZSWKYFOAFSACNH-LLVKDONJSA-N 1 0 333.354 4.146 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC001178205800 1050404407 /nfs/dbraw/zinc/40/44/07/1050404407.db2.gz VDOMLQQWARZECI-LJQANCHMSA-N 1 0 336.395 4.021 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001178519565 1050489262 /nfs/dbraw/zinc/48/92/62/1050489262.db2.gz YHMHHXMTPBAEMR-FUHWJXTLSA-N 1 0 340.423 4.104 20 5 EIBDRO CN(c1ccccc1)c1ccc(C[NH2+]C(C)(C)CF)cc1[N+](=O)[O-] ZINC001178525133 1050491200 /nfs/dbraw/zinc/49/12/00/1050491200.db2.gz VQDJJHNZNPMTTJ-UHFFFAOYSA-N 1 0 331.391 4.200 20 5 EIBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC001178981298 1050591847 /nfs/dbraw/zinc/59/18/47/1050591847.db2.gz FHYLWVYGUKRVKF-BJWYYQGGSA-N 1 0 337.423 4.251 20 5 EIBDRO C[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000618984986 1050612049 /nfs/dbraw/zinc/61/20/49/1050612049.db2.gz VVFOLPNEHLNDKN-ACJLOTCBSA-N 1 0 325.412 4.106 20 5 EIBDRO CO[C@@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001179248781 1050659412 /nfs/dbraw/zinc/65/94/12/1050659412.db2.gz WOSZUENIJBASPK-LSSBLYJVSA-N 1 0 332.444 4.183 20 5 EIBDRO CSCc1nc(CNCc2c3ccccc3cc3ccccc32)n[nH]1 ZINC001179607792 1050730308 /nfs/dbraw/zinc/73/03/08/1050730308.db2.gz JZUBCRRJVQUORQ-UHFFFAOYSA-N 1 0 348.475 4.264 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1Cl ZINC001179952070 1050829740 /nfs/dbraw/zinc/82/97/40/1050829740.db2.gz OEIMLDINXYJVJU-HNNXBMFYSA-N 1 0 348.805 4.452 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001179958151 1050846131 /nfs/dbraw/zinc/84/61/31/1050846131.db2.gz VYOJXMDNLHBOPL-KRWDZBQOSA-N 1 0 342.414 4.415 20 5 EIBDRO COc1cc(C[N@@H+]2CCC[C@@H](C(C)(C)C)CC2)c([N+](=O)[O-])cc1F ZINC001191021957 1051328270 /nfs/dbraw/zinc/32/82/70/1051328270.db2.gz MRMFKEGHBSHJKQ-CQSZACIVSA-N 1 0 338.423 4.391 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC001181901084 1051344770 /nfs/dbraw/zinc/34/47/70/1051344770.db2.gz PPIZQZQHYWSUKA-HDMKZQKVSA-N 1 0 340.423 4.418 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001181986883 1051363883 /nfs/dbraw/zinc/36/38/83/1051363883.db2.gz PCWYHUVJHPSVKX-OAHLLOKOSA-N 1 0 328.387 4.340 20 5 EIBDRO CCOC1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001182020750 1051383135 /nfs/dbraw/zinc/38/31/35/1051383135.db2.gz NSNFJMDLIYAZGV-SJLPKXTDSA-N 1 0 346.471 4.245 20 5 EIBDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC001191269801 1051413622 /nfs/dbraw/zinc/41/36/22/1051413622.db2.gz WUXOVEMABPSGJI-GOSISDBHSA-N 1 0 342.439 4.235 20 5 EIBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001203370405 1051424848 /nfs/dbraw/zinc/42/48/48/1051424848.db2.gz ZLJBDWADZDFRTG-WLHTULFXSA-N 1 0 346.452 4.225 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2ccccc2[C@@H]1C(C)C ZINC001191539292 1051477436 /nfs/dbraw/zinc/47/74/36/1051477436.db2.gz FUWWLRLSOUZBPS-FQEVSTJZSA-N 1 0 340.423 4.359 20 5 EIBDRO O=[N+]([O-])c1cc(C[N@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)ccc1Cl ZINC001175312490 1051524003 /nfs/dbraw/zinc/52/40/03/1051524003.db2.gz TYANUCXGWLPFKM-ZACQAIPSSA-N 1 0 342.826 4.484 20 5 EIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H](C4CC4)C3)CC2)cc1 ZINC001182450885 1051576093 /nfs/dbraw/zinc/57/60/93/1051576093.db2.gz AVCGJZBMQFRHNP-FUHWJXTLSA-N 1 0 343.471 4.122 20 5 EIBDRO COc1ccc(C[N@H+](Cc2ccccc2)C(C)(C)C)cc1[N+](=O)[O-] ZINC001192052921 1051626403 /nfs/dbraw/zinc/62/64/03/1051626403.db2.gz PYHHRZHYXGEUIT-UHFFFAOYSA-N 1 0 328.412 4.404 20 5 EIBDRO COc1ccccc1CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001192392369 1051721231 /nfs/dbraw/zinc/72/12/31/1051721231.db2.gz XZXMBGMITVAPTG-UHFFFAOYSA-N 1 0 340.423 4.201 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@](O)(c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC001192627421 1051784314 /nfs/dbraw/zinc/78/43/14/1051784314.db2.gz WLKHGMDYZSDWMH-JXFKEZNVSA-N 1 0 342.439 4.098 20 5 EIBDRO C[C@H]([NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C)c1ccccc1[N+](=O)[O-] ZINC001183652846 1051878543 /nfs/dbraw/zinc/87/85/43/1051878543.db2.gz WEGQTCRKEIXZMF-KYNGSXCRSA-N 1 0 340.423 4.492 20 5 EIBDRO CSC1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001183798150 1051899422 /nfs/dbraw/zinc/89/94/22/1051899422.db2.gz AAITVYJUEWTNFX-UHFFFAOYSA-N 1 0 328.865 4.260 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)COCC1CCCCC1 ZINC001183919975 1051928411 /nfs/dbraw/zinc/92/84/11/1051928411.db2.gz RPCWZIUISVJZLN-SJORKVTESA-N 1 0 348.487 4.491 20 5 EIBDRO C[C@H](COCC1CCCCC1)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC001183919972 1051928449 /nfs/dbraw/zinc/92/84/49/1051928449.db2.gz RPCWZIUISVJZLN-DLBZAZTESA-N 1 0 348.487 4.491 20 5 EIBDRO Nc1ccc2cc3ccc(Nc4ccc5nonc5c4)cc3[nH+]c2c1 ZINC001176328414 1051992162 /nfs/dbraw/zinc/99/21/62/1051992162.db2.gz QDRWSZYFVBBKCP-UHFFFAOYSA-N 1 0 327.347 4.250 20 5 EIBDRO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001176356847 1052037385 /nfs/dbraw/zinc/03/73/85/1052037385.db2.gz VZAVBHJNEUGKGI-UZLBHIALSA-N 1 0 340.423 4.242 20 5 EIBDRO CCC(=O)c1ccc(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001184983387 1052140293 /nfs/dbraw/zinc/14/02/93/1052140293.db2.gz TYSWDXMKEQPGKF-AUUYWEPGSA-N 1 0 347.459 4.110 20 5 EIBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001185526820 1052256810 /nfs/dbraw/zinc/25/68/10/1052256810.db2.gz HMWJFMMDFMTZCZ-LLVKDONJSA-N 1 0 346.258 4.212 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000072598234 1052495556 /nfs/dbraw/zinc/49/55/56/1052495556.db2.gz VIJVPOWZTGJJNK-CQSZACIVSA-N 1 0 343.402 4.371 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000090918535 1052783333 /nfs/dbraw/zinc/78/33/33/1052783333.db2.gz PQQJTGFXTHVCKP-DLBZAZTESA-N 1 0 330.432 4.137 20 5 EIBDRO CC(C)c1ccc(C[NH2+]CCC2SCCS2)cc1[N+](=O)[O-] ZINC000850407734 1053172593 /nfs/dbraw/zinc/17/25/93/1053172593.db2.gz NZYJFWRHXWVUMQ-UHFFFAOYSA-N 1 0 326.487 4.004 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)c1cccc([N+](=O)[O-])c1 ZINC000850428535 1053204380 /nfs/dbraw/zinc/20/43/80/1053204380.db2.gz PONKBNUTTBULMF-KGLIPLIRSA-N 1 0 326.396 4.332 20 5 EIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)C1CCCC1 ZINC001195055567 1053246734 /nfs/dbraw/zinc/24/67/34/1053246734.db2.gz QJHBFUSJQDNNSQ-JTQLQIEISA-N 1 0 327.222 4.026 20 5 EIBDRO CCC[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000850529178 1053293501 /nfs/dbraw/zinc/29/35/01/1053293501.db2.gz NVMXSJHFCBWXEH-OTWHNJEPSA-N 1 0 326.396 4.204 20 5 EIBDRO CC1(C)C[C@H](c2ccccc2)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001195376236 1053393721 /nfs/dbraw/zinc/39/37/21/1053393721.db2.gz HPBLWFZORYCZAJ-GOSISDBHSA-N 1 0 340.423 4.447 20 5 EIBDRO C[C@@]1(Cc2ccccc2F)CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC001195464287 1053408241 /nfs/dbraw/zinc/40/82/41/1053408241.db2.gz SQYVYQJBQMUUJU-IBGZPJMESA-N 1 0 346.377 4.470 20 5 EIBDRO C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(F)c1 ZINC000765361812 1053515752 /nfs/dbraw/zinc/51/57/52/1053515752.db2.gz YHAIMZJUVIDJBL-IFXJQAMLSA-N 1 0 342.414 4.448 20 5 EIBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCC3)CC2)c(C(F)F)c1 ZINC000865585780 1053552916 /nfs/dbraw/zinc/55/29/16/1053552916.db2.gz OFVJZQXVGNXJTI-UHFFFAOYSA-N 1 0 339.386 4.351 20 5 EIBDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000776582768 1053561537 /nfs/dbraw/zinc/56/15/37/1053561537.db2.gz BUIPVLGNLWJTQM-UXHICEINSA-N 1 0 340.423 4.082 20 5 EIBDRO CCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC000776580320 1053563736 /nfs/dbraw/zinc/56/37/36/1053563736.db2.gz UFFHYEVLTUOMBX-UXHICEINSA-N 1 0 340.423 4.028 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCO2 ZINC000852781765 1053613368 /nfs/dbraw/zinc/61/33/68/1053613368.db2.gz QJPAYRRJPMEEHH-LBPRGKRZSA-N 1 0 346.814 4.424 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]CCSCCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000866543044 1053777248 /nfs/dbraw/zinc/77/72/48/1053777248.db2.gz KYJHOEUDGFZCBE-LLVKDONJSA-N 1 0 336.379 4.239 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000866610120 1053803845 /nfs/dbraw/zinc/80/38/45/1053803845.db2.gz QWSUSCCIZXHAPH-MGPQQGTHSA-N 1 0 326.318 4.069 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cc3cnccc3o2)cccc1[N+](=O)[O-] ZINC000866619460 1053809126 /nfs/dbraw/zinc/80/91/26/1053809126.db2.gz GIGMKWVCHPXVIU-OLZOCXBDSA-N 1 0 325.368 4.456 20 5 EIBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2F)[C@H]1c1cccs1 ZINC000301427586 1053925043 /nfs/dbraw/zinc/92/50/43/1053925043.db2.gz PLKQTCYXFUCXKV-PXAZEXFGSA-N 1 0 349.431 4.290 20 5 EIBDRO CC1(C)CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC001198201621 1054091454 /nfs/dbraw/zinc/09/14/54/1054091454.db2.gz ANDSGQWVOBHPBE-SFHVURJKSA-N 1 0 340.423 4.316 20 5 EIBDRO C[N@@H+]1CCC[C@@H](CNc2cccc(F)c2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301439315 1054170428 /nfs/dbraw/zinc/17/04/28/1054170428.db2.gz TVCWPBIXJZYKGN-LRDDRELGSA-N 1 0 349.431 4.290 20 5 EIBDRO CC(C)(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301440833 1054183142 /nfs/dbraw/zinc/18/31/42/1054183142.db2.gz MPLTVOUUXSAZMD-UHFFFAOYSA-N 1 0 345.365 4.288 20 5 EIBDRO CN(C)c1ccc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000775882278 1054201777 /nfs/dbraw/zinc/20/17/77/1054201777.db2.gz ZCMMXRDVRVFVGZ-UHFFFAOYSA-N 1 0 339.439 4.040 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc([C@H](C)O)cc1 ZINC000872028423 1054343311 /nfs/dbraw/zinc/34/33/11/1054343311.db2.gz RDOSAYVCESGQLG-STQMWFEESA-N 1 0 346.452 4.221 20 5 EIBDRO COCCC(C)(C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872062593 1054372407 /nfs/dbraw/zinc/37/24/07/1054372407.db2.gz NNNUSXZSSJCINN-LBPRGKRZSA-N 1 0 326.462 4.030 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063138 1054372763 /nfs/dbraw/zinc/37/27/63/1054372763.db2.gz SZYDHNNTEAUYKX-JOQOYGCGSA-N 1 0 344.386 4.305 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)c1nccs1 ZINC000872062754 1054372911 /nfs/dbraw/zinc/37/29/11/1054372911.db2.gz OXJKNUCFVHLKAZ-WDEREUQCSA-N 1 0 337.470 4.228 20 5 EIBDRO C[C@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087408 1054384665 /nfs/dbraw/zinc/38/46/65/1054384665.db2.gz CYFAJXMBAMHIKG-NLTNOIMHSA-N 1 0 328.334 4.353 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1cnc(C)s1 ZINC000872094090 1054386785 /nfs/dbraw/zinc/38/67/85/1054386785.db2.gz YVMCYGRMQIWOOA-NXEZZACHSA-N 1 0 337.470 4.493 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000872094096 1054387780 /nfs/dbraw/zinc/38/77/80/1054387780.db2.gz YVMCYGRMQIWOOA-ZJUUUORDSA-N 1 0 337.470 4.493 20 5 EIBDRO COC(=O)N1CCC[C@@H]([NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC001199989832 1054512733 /nfs/dbraw/zinc/51/27/33/1054512733.db2.gz GLTAOLMJHJFJBE-GOSISDBHSA-N 1 0 348.446 4.313 20 5 EIBDRO CCOCCC1(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCC1 ZINC001200990570 1054616133 /nfs/dbraw/zinc/61/61/33/1054616133.db2.gz XPCBZTKCRVIBEW-UHFFFAOYSA-N 1 0 334.460 4.405 20 5 EIBDRO Cc1c(C[NH2+]Cc2cc3ccnc(Cl)c3s2)cccc1[N+](=O)[O-] ZINC001201990033 1054987119 /nfs/dbraw/zinc/98/71/19/1054987119.db2.gz VIZLJCBAOUITBU-UHFFFAOYSA-N 1 0 347.827 4.456 20 5 EIBDRO Cc1cccc([C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C(C)(C)C)c1 ZINC000876962845 1054988145 /nfs/dbraw/zinc/98/81/45/1054988145.db2.gz YAAHWAASMMHSMN-LEOMRAHMSA-N 1 0 342.443 4.180 20 5 EIBDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000877086975 1055015784 /nfs/dbraw/zinc/01/57/84/1055015784.db2.gz DANYLLJQEUERDS-SAHAZLINSA-N 1 0 348.767 4.061 20 5 EIBDRO CCO[C@@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)c1ccccc1 ZINC001202213303 1055089335 /nfs/dbraw/zinc/08/93/35/1055089335.db2.gz LIPHNJAARQDBTB-IBGZPJMESA-N 1 0 328.412 4.079 20 5 EIBDRO Cc1csc([C@@H]2CC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)n1 ZINC000877813931 1055126551 /nfs/dbraw/zinc/12/65/51/1055126551.db2.gz QHOXAHIAQCIGCM-GFCCVEGCSA-N 1 0 337.832 4.003 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)cc1 ZINC000776278257 1055150601 /nfs/dbraw/zinc/15/06/01/1055150601.db2.gz SRINXRXKZPNFEH-MSOLQXFVSA-N 1 0 346.814 4.119 20 5 EIBDRO Cc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000776279945 1055150892 /nfs/dbraw/zinc/15/08/92/1055150892.db2.gz VDWYEIWJNPKUAS-WOJBJXKFSA-N 1 0 340.423 4.082 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCCC[C@@H]2c2ccccc2)cc1 ZINC000776279757 1055153709 /nfs/dbraw/zinc/15/37/09/1055153709.db2.gz YUOPUQMZTAEIDG-UXHICEINSA-N 1 0 340.423 4.246 20 5 EIBDRO C[N@@H+]1CCC[C@H](CNc2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301452235 1055218171 /nfs/dbraw/zinc/21/81/71/1055218171.db2.gz XSKIKSHZIURAJH-SJKOYZFVSA-N 1 0 349.431 4.290 20 5 EIBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878448557 1055312601 /nfs/dbraw/zinc/31/26/01/1055312601.db2.gz SYRITRFURPBWQA-HIFRSBDPSA-N 1 0 344.415 4.093 20 5 EIBDRO C[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090975036 1055439656 /nfs/dbraw/zinc/43/96/56/1055439656.db2.gz KYGYORWZJFBGOE-VQCLRJIVSA-N 1 0 348.443 4.146 20 5 EIBDRO Cc1c([C@H](C)[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000765813758 1055491958 /nfs/dbraw/zinc/49/19/58/1055491958.db2.gz DVTIBKPNYPASOP-SCLBCKFNSA-N 1 0 348.830 4.115 20 5 EIBDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765844887 1055846138 /nfs/dbraw/zinc/84/61/38/1055846138.db2.gz KFCPGCIWMFEKMJ-GUYCJALGSA-N 1 0 340.379 4.034 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000273471286 1055860615 /nfs/dbraw/zinc/86/06/15/1055860615.db2.gz SAHPEHXRWFOTGV-IRWQIABSSA-N 1 0 344.386 4.305 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1CN1CC(C)(C)[C@@H]1c1cccs1 ZINC000553992225 1055976230 /nfs/dbraw/zinc/97/62/30/1055976230.db2.gz KJTLQXZMQVVPQK-INIZCTEOSA-N 1 0 332.425 4.248 20 5 EIBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C12CCCC2 ZINC000742390457 1058590481 /nfs/dbraw/zinc/59/04/81/1058590481.db2.gz HKBRBVPNTVVTGA-JKSUJKDBSA-N 1 0 338.835 4.076 20 5 EIBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000743463864 1059017202 /nfs/dbraw/zinc/01/72/02/1059017202.db2.gz YADKRPHFFCCZDY-DLBZAZTESA-N 1 0 334.803 4.023 20 5 EIBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000746048494 1059986060 /nfs/dbraw/zinc/98/60/60/1059986060.db2.gz ASKRJTBJGTVHKM-CQSZACIVSA-N 1 0 343.383 4.177 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000746115011 1060028527 /nfs/dbraw/zinc/02/85/27/1060028527.db2.gz FKYYXAOHBNVPSC-AWEZNQCLSA-N 1 0 326.396 4.329 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](CCOC2CCCCCC2)C2CC2)cc1 ZINC001168848073 1060484478 /nfs/dbraw/zinc/48/44/78/1060484478.db2.gz IWUDVNCUQSEZLR-UHFFFAOYSA-N 1 0 332.444 4.299 20 5 EIBDRO CC(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)(c1ccccc1)c1ccccc1 ZINC001168965971 1060558689 /nfs/dbraw/zinc/55/86/89/1060558689.db2.gz FHFRNHXIKRXAHV-XLIONFOSSA-N 1 0 338.451 4.028 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2cccc(Oc3ccccc3)c2)C1 ZINC001168967458 1060563229 /nfs/dbraw/zinc/56/32/29/1060563229.db2.gz PSCIELNAEYKIJC-ZWKOTPCHSA-N 1 0 340.423 4.056 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3C(F)(F)F)CCC2)C1 ZINC001168993637 1060567807 /nfs/dbraw/zinc/56/78/07/1060567807.db2.gz OBYMIUUOBWAISF-OLZOCXBDSA-N 1 0 342.361 4.120 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(CC3CCC3)CCC(F)(F)CC2)C1 ZINC001168997968 1060570274 /nfs/dbraw/zinc/57/02/74/1060570274.db2.gz GWTJOIANRABZBG-GJZGRUSLSA-N 1 0 330.419 4.160 20 5 EIBDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168997919 1060571491 /nfs/dbraw/zinc/57/14/91/1060571491.db2.gz GPOKHIMMJFTGRW-DZGCQCFKSA-N 1 0 344.377 4.062 20 5 EIBDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC001168997492 1060571519 /nfs/dbraw/zinc/57/15/19/1060571519.db2.gz ZXLCYVQNWHBQML-UGFHNGPFSA-N 1 0 330.350 4.192 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC001168998812 1060571563 /nfs/dbraw/zinc/57/15/63/1060571563.db2.gz QGDSELXHZWAQLA-ZOCIIQOWSA-N 1 0 344.842 4.464 20 5 EIBDRO Cc1ccc(C[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc2)cc1 ZINC001168988867 1060587255 /nfs/dbraw/zinc/58/72/55/1060587255.db2.gz UHWMAWGQLXNMQV-JBACZVJFSA-N 1 0 338.451 4.314 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)C1 ZINC001169033201 1060589154 /nfs/dbraw/zinc/58/91/54/1060589154.db2.gz BIYHWJQPDBYGNP-PBEJRMEISA-N 1 0 336.435 4.080 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC001169057111 1060612229 /nfs/dbraw/zinc/61/22/29/1060612229.db2.gz UWFKAZCZFNCUJF-VBNZEHGJSA-N 1 0 342.361 4.288 20 5 EIBDRO CC1(C)C[C@@H](Nc2cc([N+](=O)[O-])cc3cc[nH]c32)C[C@](C)(C[NH3+])C1 ZINC001169143486 1060662331 /nfs/dbraw/zinc/66/23/31/1060662331.db2.gz KECUGHPEFGUXPL-ACJLOTCBSA-N 1 0 330.432 4.032 20 5 EIBDRO CC1(C)C[C@@H](Nc2cc3cccnc3c([N+](=O)[O-])c2)C[C@](C)(C[NH3+])C1 ZINC001169153791 1060670722 /nfs/dbraw/zinc/67/07/22/1060670722.db2.gz UJLAMMZQFROZKY-BEFAXECRSA-N 1 0 342.443 4.099 20 5 EIBDRO CC1(C)C[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169153807 1060670779 /nfs/dbraw/zinc/67/07/79/1060670779.db2.gz UKNKCPOTPLNEGD-AUUYWEPGSA-N 1 0 342.443 4.099 20 5 EIBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC001169409840 1060801531 /nfs/dbraw/zinc/80/15/31/1060801531.db2.gz RRNYSCDDJMPEOG-GJZGRUSLSA-N 1 0 328.865 4.402 20 5 EIBDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001169569243 1060859400 /nfs/dbraw/zinc/85/94/00/1060859400.db2.gz SBLPCKFSIDCUHM-AWEZNQCLSA-N 1 0 341.249 4.416 20 5 EIBDRO CCOc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH3+])c2cc(C)ccc21 ZINC001169697537 1060904365 /nfs/dbraw/zinc/90/43/65/1060904365.db2.gz NJQKGBDHTOYYSS-MRXNPFEDSA-N 1 0 341.411 4.234 20 5 EIBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc(F)cc(F)c1[N+](=O)[O-] ZINC001169699419 1060908805 /nfs/dbraw/zinc/90/88/05/1060908805.db2.gz YGMZVGNQKLBOAZ-CQSZACIVSA-N 1 0 333.338 4.113 20 5 EIBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc(F)cc([N+](=O)[O-])c1C ZINC001169699471 1060909498 /nfs/dbraw/zinc/90/94/98/1060909498.db2.gz ZDXOYIXFKDTLBO-HNNXBMFYSA-N 1 0 329.375 4.282 20 5 EIBDRO C[C@@H]([NH2+]Cc1csc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000037775630 213166477 /nfs/dbraw/zinc/16/64/77/213166477.db2.gz WICHYJMTLREHCC-SECBINFHSA-N 1 0 341.230 4.270 20 5 EIBDRO C[C@@H]([NH2+]CCSCc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000532187258 1032077832 /nfs/dbraw/zinc/07/78/32/1032077832.db2.gz ZMNWRUNTSFJGKQ-CYBMUJFWSA-N 1 0 334.416 4.318 20 5 EIBDRO COc1cccc(C2(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000520462945 1032153734 /nfs/dbraw/zinc/15/37/34/1032153734.db2.gz IPVXNGWLASZOSE-OAHLLOKOSA-N 1 0 340.423 4.294 20 5 EIBDRO CCC(CC)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000532946717 1032406797 /nfs/dbraw/zinc/40/67/97/1032406797.db2.gz FQKBDQFIQUITDC-UHFFFAOYSA-N 1 0 343.427 4.445 20 5 EIBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cccc(O)c1 ZINC000532934222 1032411858 /nfs/dbraw/zinc/41/18/58/1032411858.db2.gz ZGMVOXZOUZCLHK-UHFFFAOYSA-N 1 0 338.363 4.192 20 5 EIBDRO CC1CCC([N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]2CCCO2)CC1 ZINC000441431182 1032494482 /nfs/dbraw/zinc/49/44/82/1032494482.db2.gz CIXQFEFSZDJCPE-GXOAENINSA-N 1 0 332.444 4.155 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000430195002 1019161740 /nfs/dbraw/zinc/16/17/40/1019161740.db2.gz MCCVJKOIMZYRNJ-CQSZACIVSA-N 1 0 344.411 4.241 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CCC[C@H]3C3CCC3)c2c1 ZINC000728195783 1019325796 /nfs/dbraw/zinc/32/57/96/1019325796.db2.gz GYDWDFUMMHJAMW-ZDUSSCGKSA-N 1 0 333.413 4.094 20 5 EIBDRO Cc1c([C@@H](C)NC2CC[NH+](C3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000157533895 1019414682 /nfs/dbraw/zinc/41/46/82/1019414682.db2.gz ZIJYNWVZJIPHHR-MRXNPFEDSA-N 1 0 345.487 4.351 20 5 EIBDRO COc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)C(C)C)cc1 ZINC000430225896 1019501537 /nfs/dbraw/zinc/50/15/37/1019501537.db2.gz ZKADHWISVKAOLY-LJQANCHMSA-N 1 0 344.411 4.099 20 5 EIBDRO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCO2 ZINC000090217631 1032863911 /nfs/dbraw/zinc/86/39/11/1032863911.db2.gz ZFJAXQWYYDKBJV-CXAGYDPISA-N 1 0 342.395 4.086 20 5 EIBDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000336877602 1020143516 /nfs/dbraw/zinc/14/35/16/1020143516.db2.gz QYRUDTTYTGVWCU-ORAYPTAESA-N 1 0 326.396 4.332 20 5 EIBDRO C[C@@H](C1CC1)[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC001167261596 1020718169 /nfs/dbraw/zinc/71/81/69/1020718169.db2.gz CNFRXBWOBWYPDN-JTQLQIEISA-N 1 0 339.233 4.120 20 5 EIBDRO CCC(F)(F)C(C)(C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000599080805 1020878340 /nfs/dbraw/zinc/87/83/40/1020878340.db2.gz PYDKVRKLWXBXOQ-NSHDSACASA-N 1 0 330.375 4.326 20 5 EIBDRO CCCC[N@@H+](Cc1ccccc1F)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001167293802 1020897439 /nfs/dbraw/zinc/89/74/39/1020897439.db2.gz AQIYZFPLJKYNHU-LJQANCHMSA-N 1 0 346.402 4.070 20 5 EIBDRO O=[N+]([O-])c1ccccc1N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000610279305 1020945234 /nfs/dbraw/zinc/94/52/34/1020945234.db2.gz YSDDSDIJFGBLIR-GOSISDBHSA-N 1 0 325.412 4.234 20 5 EIBDRO Cc1ccc(C)n1C1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000512522449 1032980467 /nfs/dbraw/zinc/98/04/67/1032980467.db2.gz ULJPZUROMWKQOY-UHFFFAOYSA-N 1 0 327.428 4.159 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCC[C@@H](F)C3)cs2)c1 ZINC000581488763 1021855174 /nfs/dbraw/zinc/85/51/74/1021855174.db2.gz XOFJFOVEUHPPKI-CHWSQXEVSA-N 1 0 335.404 4.089 20 5 EIBDRO CCCC[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000236806242 1022089925 /nfs/dbraw/zinc/08/99/25/1022089925.db2.gz DPSZXNZJWHMSGA-UHFFFAOYSA-N 1 0 344.411 4.072 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H](C)[C@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000471611689 1022393208 /nfs/dbraw/zinc/39/32/08/1022393208.db2.gz CVAWLUCLQZBWFN-RZQQEMMASA-N 1 0 341.455 4.245 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc2ccccc2n1 ZINC000468647118 1022473674 /nfs/dbraw/zinc/47/36/74/1022473674.db2.gz HSPAXMIBOYUZGU-PTNGSMBKSA-N 1 0 333.391 4.336 20 5 EIBDRO C[C@@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1ccc([N+](=O)[O-])cc1 ZINC000186614947 1022699512 /nfs/dbraw/zinc/69/95/12/1022699512.db2.gz HZXMYFBFUILXDU-LLVKDONJSA-N 1 0 332.787 4.034 20 5 EIBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000610468809 1022725556 /nfs/dbraw/zinc/72/55/56/1022725556.db2.gz DCQYVBWBFDIFQX-LBPRGKRZSA-N 1 0 325.821 4.025 20 5 EIBDRO Cc1cc([C@H]2CCCN2c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)no1 ZINC000782948733 1023189833 /nfs/dbraw/zinc/18/98/33/1023189833.db2.gz WGPPAQYLGSGSOF-QGZVFWFLSA-N 1 0 338.367 4.089 20 5 EIBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@@H](C)O1 ZINC000414510967 1023245780 /nfs/dbraw/zinc/24/57/80/1023245780.db2.gz GDLSQWNFZPBBNI-MCIONIFRSA-N 1 0 346.452 4.226 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1COCc3ccccc31)CCCC2 ZINC000417359351 1023284367 /nfs/dbraw/zinc/28/43/67/1023284367.db2.gz IOSFENMBEOZOTA-VQTJNVASSA-N 1 0 338.407 4.223 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000178034173 1023305882 /nfs/dbraw/zinc/30/58/82/1023305882.db2.gz YBZBGUZHPCIIRB-HUUCEWRRSA-N 1 0 336.395 4.192 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2OC2CC2)cc1[N+](=O)[O-] ZINC000581574552 1023377743 /nfs/dbraw/zinc/37/77/43/1023377743.db2.gz DCJOOZWBLFMCOI-AWEZNQCLSA-N 1 0 326.396 4.295 20 5 EIBDRO CCOc1cc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001167482942 1023709349 /nfs/dbraw/zinc/70/93/49/1023709349.db2.gz RNGVNIZEYJZTKX-GOSISDBHSA-N 1 0 340.423 4.058 20 5 EIBDRO CC(C)OCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000236797954 1023739914 /nfs/dbraw/zinc/73/99/14/1023739914.db2.gz JEYNNGBZCFBODK-UHFFFAOYSA-N 1 0 334.441 4.228 20 5 EIBDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000566820625 1023827762 /nfs/dbraw/zinc/82/77/62/1023827762.db2.gz ROQSSRGAFPGBGX-MLGOLLRUSA-N 1 0 339.395 4.125 20 5 EIBDRO Cc1ccc(C2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000341532521 1023834223 /nfs/dbraw/zinc/83/42/23/1023834223.db2.gz BSMVLMMNBQPOJK-GQCTYLIASA-N 1 0 337.423 4.191 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCc4c3cccc4F)c2c1 ZINC000581967575 1023945352 /nfs/dbraw/zinc/94/53/52/1023945352.db2.gz XQMCVZBLRFDBGI-SFHVURJKSA-N 1 0 339.370 4.035 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000181723124 1024022839 /nfs/dbraw/zinc/02/28/39/1024022839.db2.gz NMGFWYOBLZKKLQ-DOPJRALCSA-N 1 0 326.396 4.200 20 5 EIBDRO C[C@H](c1ccccc1)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000610581031 1024113822 /nfs/dbraw/zinc/11/38/22/1024113822.db2.gz ZDTCDRPQOGQRAK-CYBMUJFWSA-N 1 0 337.379 4.462 20 5 EIBDRO C[C@@H](c1ccccc1)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000610581032 1024114917 /nfs/dbraw/zinc/11/49/17/1024114917.db2.gz ZDTCDRPQOGQRAK-ZDUSSCGKSA-N 1 0 337.379 4.462 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000610738859 1024801165 /nfs/dbraw/zinc/80/11/65/1024801165.db2.gz NXAMMYJVDHSDLU-HNNXBMFYSA-N 1 0 338.407 4.177 20 5 EIBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000610741100 1024805436 /nfs/dbraw/zinc/80/54/36/1024805436.db2.gz DUNFEUFSVKXFCI-KGLIPLIRSA-N 1 0 346.452 4.228 20 5 EIBDRO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178424077 1024817419 /nfs/dbraw/zinc/81/74/19/1024817419.db2.gz AQHDTZRHCDKTFP-ZIAGYGMSSA-N 1 0 346.452 4.401 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1csc(C)n1 ZINC000611248131 1025285323 /nfs/dbraw/zinc/28/53/23/1025285323.db2.gz BNHKVJXPPYSHLF-GFCCVEGCSA-N 1 0 337.470 4.020 20 5 EIBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(C)(C)C)cc1Br ZINC001226061981 1025600896 /nfs/dbraw/zinc/60/08/96/1025600896.db2.gz YKUJDDJIITZQCG-LBPRGKRZSA-N 1 0 329.302 4.220 20 5 EIBDRO Cc1ccsc1[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569269265 1025663293 /nfs/dbraw/zinc/66/32/93/1025663293.db2.gz UTPZMNQNTRLQBP-LBPRGKRZSA-N 1 0 329.425 4.339 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000266435061 1025855453 /nfs/dbraw/zinc/85/54/53/1025855453.db2.gz FBLUFBXKWHXZHR-OLZOCXBDSA-N 1 0 330.384 4.024 20 5 EIBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@@H]1CCCOC1 ZINC000119719393 1025886740 /nfs/dbraw/zinc/88/67/40/1025886740.db2.gz IIHDKNQCJROCFE-AWEZNQCLSA-N 1 0 346.452 4.182 20 5 EIBDRO COCC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000342340057 1025895621 /nfs/dbraw/zinc/89/56/21/1025895621.db2.gz OXWHFNMXKICDHL-MAUKXSAKSA-N 1 0 328.412 4.332 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000539266464 1025925628 /nfs/dbraw/zinc/92/56/28/1025925628.db2.gz AXBPXUWDLPGWHC-CQSZACIVSA-N 1 0 344.411 4.161 20 5 EIBDRO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000182065920 1026067179 /nfs/dbraw/zinc/06/71/79/1026067179.db2.gz ORWJNKIUWHRVCM-AWEZNQCLSA-N 1 0 337.379 4.443 20 5 EIBDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000157895135 1026094467 /nfs/dbraw/zinc/09/44/67/1026094467.db2.gz MWOXVJLFRMEQPA-QWHCGFSZSA-N 1 0 330.432 4.267 20 5 EIBDRO Cc1cccnc1[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(C)(C)C ZINC000934290094 1026163115 /nfs/dbraw/zinc/16/31/15/1026163115.db2.gz WABHDOPBGNGRAV-QGZVFWFLSA-N 1 0 331.391 4.314 20 5 EIBDRO COCC[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000279219241 1026216173 /nfs/dbraw/zinc/21/61/73/1026216173.db2.gz YVKHHFGCMXJNAV-IAGOWNOFSA-N 1 0 344.411 4.278 20 5 EIBDRO COc1cc(C[NH2+][C@H](C)c2cc(C)cc(C)c2)c([N+](=O)[O-])cc1F ZINC000184307858 1026410420 /nfs/dbraw/zinc/41/04/20/1026410420.db2.gz UWSYHXPZRQFLIF-CYBMUJFWSA-N 1 0 332.375 4.210 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NC[C@H]1CCCn2ccnc21 ZINC000342779522 1026488753 /nfs/dbraw/zinc/48/87/53/1026488753.db2.gz KRBVJZIFKLUGEE-SECBINFHSA-N 1 0 341.198 4.088 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000127481446 1026505212 /nfs/dbraw/zinc/50/52/12/1026505212.db2.gz GZXGGXNHZMEPHC-DOTOQJQBSA-N 1 0 332.444 4.436 20 5 EIBDRO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000478224733 1026522526 /nfs/dbraw/zinc/52/25/26/1026522526.db2.gz GVROORIDCBPZTE-OALUTQOASA-N 1 0 344.386 4.052 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCSC1 ZINC000562042743 1026541520 /nfs/dbraw/zinc/54/15/20/1026541520.db2.gz KWZPZHHMUUAMBT-ZIAGYGMSSA-N 1 0 340.514 4.198 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000338707816 1026586954 /nfs/dbraw/zinc/58/69/54/1026586954.db2.gz LQOFBTWILXBHSZ-ZVVFDCPKSA-N 1 0 342.370 4.251 20 5 EIBDRO Cc1noc(C)c1CCCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302065355 1026666010 /nfs/dbraw/zinc/66/60/10/1026666010.db2.gz DZLGPFLAZHJEMY-UHFFFAOYSA-N 1 0 340.383 4.101 20 5 EIBDRO CSCCCCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000479617918 1026850759 /nfs/dbraw/zinc/85/07/59/1026850759.db2.gz WJKCRBIEENHEED-UHFFFAOYSA-N 1 0 334.441 4.478 20 5 EIBDRO CC[C@@H](C)[N@H+](Cc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000507693940 1026875916 /nfs/dbraw/zinc/87/59/16/1026875916.db2.gz MSXFTOQCPGJXTG-OAHLLOKOSA-N 1 0 328.412 4.404 20 5 EIBDRO C[C@H](CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000467411064 1026906814 /nfs/dbraw/zinc/90/68/14/1026906814.db2.gz MBSWSVJIPOPMLL-NXHRZFHOSA-N 1 0 342.443 4.058 20 5 EIBDRO COc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000519738074 1026971791 /nfs/dbraw/zinc/97/17/91/1026971791.db2.gz KKJUUCWEOTVROR-LBPRGKRZSA-N 1 0 334.803 4.416 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000519738073 1026972252 /nfs/dbraw/zinc/97/22/52/1026972252.db2.gz KKJUUCWEOTVROR-GFCCVEGCSA-N 1 0 334.803 4.416 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000519776603 1026993699 /nfs/dbraw/zinc/99/36/99/1026993699.db2.gz LXZUFNRRGBBDHR-IWEFOYFVSA-N 1 0 346.814 4.429 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000178646576 1027081683 /nfs/dbraw/zinc/08/16/83/1027081683.db2.gz OTLFDLMPGGUDEP-CQSZACIVSA-N 1 0 341.411 4.162 20 5 EIBDRO CCC[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178650706 1027093283 /nfs/dbraw/zinc/09/32/83/1027093283.db2.gz GUPILADYNLDVRY-QUCCMNQESA-N 1 0 342.439 4.192 20 5 EIBDRO C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000178653423 1027260081 /nfs/dbraw/zinc/26/00/81/1027260081.db2.gz VUZJOTIGGOPJMI-CYBMUJFWSA-N 1 0 345.468 4.214 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000544384969 1027371731 /nfs/dbraw/zinc/37/17/31/1027371731.db2.gz GHKIMWUHJFEQTC-NSHDSACASA-N 1 0 332.425 4.004 20 5 EIBDRO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]2CCCC[C@@H]21 ZINC000543907228 1027444780 /nfs/dbraw/zinc/44/47/80/1027444780.db2.gz XNOQVEVQOJNUSC-FSPWUOQZSA-N 1 0 341.411 4.260 20 5 EIBDRO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000441323759 1027448845 /nfs/dbraw/zinc/44/88/45/1027448845.db2.gz OGEQIEOMXCWLMF-LIRRHRJNSA-N 1 0 328.387 4.360 20 5 EIBDRO Cc1cc(Cl)c(N2C(C)(C)CC([NH3+])CC2(C)C)c([N+](=O)[O-])c1 ZINC001167627657 1027492875 /nfs/dbraw/zinc/49/28/75/1027492875.db2.gz HFABDVRHEZGLFS-UHFFFAOYSA-N 1 0 325.840 4.041 20 5 EIBDRO COc1ccc(C[N@@H+](Cc2ccccc2)CC(C)C)cc1[N+](=O)[O-] ZINC000519907635 1027740499 /nfs/dbraw/zinc/74/04/99/1027740499.db2.gz QGXRQGRUJSNNRC-UHFFFAOYSA-N 1 0 328.412 4.262 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC)cc1 ZINC000178728429 1027772477 /nfs/dbraw/zinc/77/24/77/1027772477.db2.gz IBQNQJGPZSBNRK-GOSISDBHSA-N 1 0 344.411 4.243 20 5 EIBDRO COc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000052035283 1027803730 /nfs/dbraw/zinc/80/37/30/1027803730.db2.gz GYUGLZVIPIWYMG-SFHVURJKSA-N 1 0 332.375 4.229 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C2CCOCC2)CC1 ZINC000548782886 1027859452 /nfs/dbraw/zinc/85/94/52/1027859452.db2.gz ZLVCNWFZYSOUPE-HNNXBMFYSA-N 1 0 332.444 4.103 20 5 EIBDRO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000583096175 1027984830 /nfs/dbraw/zinc/98/48/30/1027984830.db2.gz YJJLOWSQJZGPKJ-TZMCWYRMSA-N 1 0 344.377 4.484 20 5 EIBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000536365476 1028157223 /nfs/dbraw/zinc/15/72/23/1028157223.db2.gz LHOJEYGQXNUHDY-DDUZABMNSA-N 1 0 341.411 4.403 20 5 EIBDRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000583332756 1028522958 /nfs/dbraw/zinc/52/29/58/1028522958.db2.gz SJIFOGVCSKJYQT-BJZITVGISA-N 1 0 332.444 4.156 20 5 EIBDRO COc1ccccc1C1CC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000324250544 1028836930 /nfs/dbraw/zinc/83/69/30/1028836930.db2.gz ZYACXRPSAUANBS-IUDNXUCKSA-N 1 0 326.396 4.200 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000278338573 1028911632 /nfs/dbraw/zinc/91/16/32/1028911632.db2.gz AFTHULHZPFOZAQ-KCQAQPDRSA-N 1 0 346.452 4.399 20 5 EIBDRO COc1cc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000445996900 1029064758 /nfs/dbraw/zinc/06/47/58/1029064758.db2.gz SULVLRLHKSXNKT-IRXDYDNUSA-N 1 0 326.396 4.029 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000278423837 1029177581 /nfs/dbraw/zinc/17/75/81/1029177581.db2.gz IUZABWIZIMRRCU-GOSISDBHSA-N 1 0 325.412 4.110 20 5 EIBDRO CC(C)Cn1cc[nH+]c1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000508471918 1029289759 /nfs/dbraw/zinc/28/97/59/1029289759.db2.gz NYGSTQOQGVOWLU-UHFFFAOYSA-N 1 0 340.383 4.319 20 5 EIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCSCC1 ZINC000475197864 1029429705 /nfs/dbraw/zinc/42/97/05/1029429705.db2.gz YYFJOHNLQURZBO-SNVBAGLBSA-N 1 0 348.390 4.235 20 5 EIBDRO COCCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000475333030 1029560230 /nfs/dbraw/zinc/56/02/30/1029560230.db2.gz NQPUXBGIQRJJEW-IBGZPJMESA-N 1 0 342.439 4.031 20 5 EIBDRO CC[NH+](CC)Cc1ccc(CNc2cccc(OC)c2[N+](=O)[O-])cc1 ZINC000475439389 1029651522 /nfs/dbraw/zinc/65/15/22/1029651522.db2.gz JYCZGHGACLOLTP-UHFFFAOYSA-N 1 0 343.427 4.057 20 5 EIBDRO C[C@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000158832123 1029859054 /nfs/dbraw/zinc/85/90/54/1029859054.db2.gz GQTDYZZSNZZYFD-XOBRGWDASA-N 1 0 336.391 4.132 20 5 EIBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl ZINC000450678308 1029894573 /nfs/dbraw/zinc/89/45/73/1029894573.db2.gz HSNHQJMLCCTNDA-LBPRGKRZSA-N 1 0 334.803 4.416 20 5 EIBDRO C[C@@H](C1CCCCC1)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000447397092 1030060279 /nfs/dbraw/zinc/06/02/79/1030060279.db2.gz MQLDJPZPIJJGNR-ZDUSSCGKSA-N 1 0 344.415 4.045 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ccncc3)C2)c(Cl)c1 ZINC000451007128 1030174951 /nfs/dbraw/zinc/17/49/51/1030174951.db2.gz SOXKPRSDZXQOQG-CQSZACIVSA-N 1 0 331.803 4.023 20 5 EIBDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447589245 1030193990 /nfs/dbraw/zinc/19/39/90/1030193990.db2.gz XIJCYFLFARYAJN-SNRMKQJTSA-N 1 0 332.444 4.013 20 5 EIBDRO COc1cc(C[N@H+]2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000451146787 1030273331 /nfs/dbraw/zinc/27/33/31/1030273331.db2.gz NALIFICDDGZPDZ-DMDPSCGWSA-N 1 0 346.349 4.155 20 5 EIBDRO CCc1ccc([C@H]([NH2+]C[C@H]2CCSC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000448023136 1030494140 /nfs/dbraw/zinc/49/41/40/1030494140.db2.gz RUBUNLFHZBBYMZ-FZKQIMNGSA-N 1 0 346.452 4.182 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3nc4ccccc4o3)C2)cc1 ZINC000451544831 1030561252 /nfs/dbraw/zinc/56/12/52/1030561252.db2.gz FXLZSGSJQNKZCP-OAHLLOKOSA-N 1 0 337.379 4.116 20 5 EIBDRO O=C(C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000121825398 1030620579 /nfs/dbraw/zinc/62/05/79/1030620579.db2.gz ZTYDDROLIBFWJF-ZDUSSCGKSA-N 1 0 348.399 4.033 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2CCC2CCCCC2)cc1 ZINC001168174907 1030665810 /nfs/dbraw/zinc/66/58/10/1030665810.db2.gz JXDWLAPBXKLFOY-AZUAARDMSA-N 1 0 346.471 4.453 20 5 EIBDRO CO[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000611984157 1030708376 /nfs/dbraw/zinc/70/83/76/1030708376.db2.gz MPXJXCXSCBTPGB-INIZCTEOSA-N 1 0 346.452 4.324 20 5 EIBDRO Cc1csc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000130074714 1030816531 /nfs/dbraw/zinc/81/65/31/1030816531.db2.gz DYZNEFPXTLJCES-SQWLQELKSA-N 1 0 345.468 4.422 20 5 EIBDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000530973965 1030822653 /nfs/dbraw/zinc/82/26/53/1030822653.db2.gz CWDUVBQUXTZLLA-YPMHNXCESA-N 1 0 346.349 4.062 20 5 EIBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000610511623 1030829609 /nfs/dbraw/zinc/82/96/09/1030829609.db2.gz SJOPNAPIADADTD-KBPBESRZSA-N 1 0 330.350 4.362 20 5 EIBDRO CC(C)CCOC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000179332336 1030910683 /nfs/dbraw/zinc/91/06/83/1030910683.db2.gz RZVBUWPLFJLNKQ-FNORWQNLSA-N 1 0 332.444 4.135 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000532460311 1031099371 /nfs/dbraw/zinc/09/93/71/1031099371.db2.gz BLIJSQZWFZPCIH-LBPRGKRZSA-N 1 0 336.338 4.355 20 5 EIBDRO CC(C)OCc1ccccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000532461859 1031120769 /nfs/dbraw/zinc/12/07/69/1031120769.db2.gz GRXGOYLTCWUCDL-HNNXBMFYSA-N 1 0 328.412 4.371 20 5 EIBDRO Cc1c(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000179610915 1031227168 /nfs/dbraw/zinc/22/71/68/1031227168.db2.gz VIBHYVSLMLSUSJ-LBPRGKRZSA-N 1 0 336.338 4.355 20 5 EIBDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000237543676 1031230762 /nfs/dbraw/zinc/23/07/62/1031230762.db2.gz AIOMQYLOOLOWLQ-LRDDRELGSA-N 1 0 331.441 4.387 20 5 EIBDRO COc1ccc2c(c1)CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C2 ZINC000612419873 1031500786 /nfs/dbraw/zinc/50/07/86/1031500786.db2.gz VLKVHPAOOAWLHN-YOEHRIQHSA-N 1 0 340.423 4.120 20 5 EIBDRO Cc1cccc2c(CC[NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])c[nH]c21 ZINC000449161779 1031504698 /nfs/dbraw/zinc/50/46/98/1031504698.db2.gz PLVDQDOTRADIQO-OAHLLOKOSA-N 1 0 337.423 4.148 20 5 EIBDRO CC(C)(C)OCc1cccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000236575306 1031514297 /nfs/dbraw/zinc/51/42/97/1031514297.db2.gz NHLMMGBZKSHFNC-UHFFFAOYSA-N 1 0 328.412 4.200 20 5 EIBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1cc2ccccc2o1 ZINC000472433143 1031570781 /nfs/dbraw/zinc/57/07/81/1031570781.db2.gz NGQFZOJKZUNMJV-CQSZACIVSA-N 1 0 342.399 4.011 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000449254918 1031572349 /nfs/dbraw/zinc/57/23/49/1031572349.db2.gz AEQDOWRRLJIQHM-QWHCGFSZSA-N 1 0 341.436 4.486 20 5 EIBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000449254919 1031573295 /nfs/dbraw/zinc/57/32/95/1031573295.db2.gz AEQDOWRRLJIQHM-STQMWFEESA-N 1 0 341.436 4.486 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CSc2ccccc21 ZINC000449367293 1031661226 /nfs/dbraw/zinc/66/12/26/1031661226.db2.gz UZWDCPKIGZELFQ-UKRRQHHQSA-N 1 0 328.437 4.005 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)c(F)c1 ZINC000449432970 1031731426 /nfs/dbraw/zinc/73/14/26/1031731426.db2.gz KELAWIOJZPAWGE-HZMBPMFUSA-N 1 0 334.313 4.335 20 5 EIBDRO CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H]1C ZINC000449493556 1031789254 /nfs/dbraw/zinc/78/92/54/1031789254.db2.gz FCEZFZBTXWDNNO-CXAGYDPISA-N 1 0 346.452 4.180 20 5 EIBDRO CCO[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000449495022 1031802885 /nfs/dbraw/zinc/80/28/85/1031802885.db2.gz NTKLNKXAQTXCNX-RDTXWAMCSA-N 1 0 344.411 4.102 20 5 EIBDRO CCO[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000449501739 1031810165 /nfs/dbraw/zinc/81/01/65/1031810165.db2.gz WBKZSDDTANMABX-RDTXWAMCSA-N 1 0 344.411 4.102 20 5 EIBDRO Cc1cc(-c2noc([C@@H]3CCC[N@@H+]3C3CCCC3)n2)cc([N+](=O)[O-])c1 ZINC000453300695 1031818802 /nfs/dbraw/zinc/81/88/02/1031818802.db2.gz ZKYNYNUGXQJJQV-INIZCTEOSA-N 1 0 342.399 4.033 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nccn1CC ZINC000453353940 1031883413 /nfs/dbraw/zinc/88/34/13/1031883413.db2.gz NYUMIGRUDRBLPH-UONOGXRCSA-N 1 0 348.472 4.033 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000531967015 1031889308 /nfs/dbraw/zinc/88/93/08/1031889308.db2.gz LGTOGUOUTYJNKK-SJORKVTESA-N 1 0 339.439 4.223 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCO[C@H](c2cccs2)C1 ZINC000449629486 1031889707 /nfs/dbraw/zinc/88/97/07/1031889707.db2.gz UFPCJFGKIUIEHC-CWPZSORWSA-N 1 0 344.436 4.179 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000449629487 1031890254 /nfs/dbraw/zinc/89/02/54/1031890254.db2.gz UFPCJFGKIUIEHC-HQVKWAHHSA-N 1 0 344.436 4.179 20 5 EIBDRO CCC1(C[NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)COC1 ZINC000453389779 1031897711 /nfs/dbraw/zinc/89/77/11/1031897711.db2.gz XPURENBLOMMJOX-ZDUSSCGKSA-N 1 0 346.452 4.401 20 5 EIBDRO C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000531995225 1031962918 /nfs/dbraw/zinc/96/29/18/1031962918.db2.gz HQLIZRKLBICBKY-UGSOOPFHSA-N 1 0 347.846 4.202 20 5 EIBDRO CCCC1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000532104678 1032045985 /nfs/dbraw/zinc/04/59/85/1032045985.db2.gz SZJDSHPEVUADAD-UHFFFAOYSA-N 1 0 331.441 4.388 20 5 EIBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC)cc1 ZINC000236929449 1033479766 /nfs/dbraw/zinc/47/97/66/1033479766.db2.gz DYXDHBZAGYIYNV-KRWDZBQOSA-N 1 0 334.803 4.498 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCOC3(CCCCC3)C1)CCC2 ZINC000408447199 1033935431 /nfs/dbraw/zinc/93/54/31/1033935431.db2.gz BVPNLDAPQGDMHC-QFBILLFUSA-N 1 0 344.455 4.444 20 5 EIBDRO CC[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000433283913 1034188505 /nfs/dbraw/zinc/18/85/05/1034188505.db2.gz DOFPSZPKDUCKQW-ROUUACIJSA-N 1 0 332.444 4.112 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCC[C@H](C)[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000171410518 1034198628 /nfs/dbraw/zinc/19/86/28/1034198628.db2.gz JIYCEESDFLUFNN-ZWUHOBOKSA-N 1 0 344.415 4.120 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C(F)(F)F)CCC1 ZINC000512977475 1034276889 /nfs/dbraw/zinc/27/68/89/1034276889.db2.gz MTYWQWHLRJCQOP-WQLSENKSSA-N 1 0 328.334 4.320 20 5 EIBDRO COC1(C(F)(F)F)CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000419350999 1034398520 /nfs/dbraw/zinc/39/85/20/1034398520.db2.gz OCKDKGPXPWVUJG-GFCCVEGCSA-N 1 0 346.349 4.008 20 5 EIBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000513067264 1034465508 /nfs/dbraw/zinc/46/55/08/1034465508.db2.gz DBAKDXPPIGOOJT-IXDOHACOSA-N 1 0 346.452 4.097 20 5 EIBDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000513077868 1034497341 /nfs/dbraw/zinc/49/73/41/1034497341.db2.gz VWVMNMKZCBKASO-YSIASYRMSA-N 1 0 340.423 4.036 20 5 EIBDRO CC(C)c1ccc(C[NH2+]CCc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000513120800 1034593789 /nfs/dbraw/zinc/59/37/89/1034593789.db2.gz SZEFJEHQMZEDCU-UHFFFAOYSA-N 1 0 334.366 4.329 20 5 EIBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000182594303 1034970543 /nfs/dbraw/zinc/97/05/43/1034970543.db2.gz PUYZOHUSQHHFGE-IRXDYDNUSA-N 1 0 334.803 4.023 20 5 EIBDRO COc1ccccc1C[C@@H](C)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000513479528 1034979609 /nfs/dbraw/zinc/97/96/09/1034979609.db2.gz NGHQYBGJZHLMKB-YCABEKBOSA-N 1 0 340.423 4.180 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000595019847 1035511425 /nfs/dbraw/zinc/51/14/25/1035511425.db2.gz RABPGRMFTMOIAX-GTNSWQLSSA-N 1 0 330.359 4.081 20 5 EIBDRO COc1ccccc1[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595003302 1035523956 /nfs/dbraw/zinc/52/39/56/1035523956.db2.gz GMBCBCHPVMJHNM-QWHCGFSZSA-N 1 0 330.384 4.024 20 5 EIBDRO COc1ccc([C@@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1F ZINC000595002928 1035526746 /nfs/dbraw/zinc/52/67/46/1035526746.db2.gz BQVOTKVWWUHVFC-VXGBXAGGSA-N 1 0 348.374 4.163 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000595006952 1035530254 /nfs/dbraw/zinc/53/02/54/1035530254.db2.gz NFUXCCUEBHRBQO-UGSOOPFHSA-N 1 0 326.396 4.332 20 5 EIBDRO CCOC1CCC([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000595037601 1035561687 /nfs/dbraw/zinc/56/16/87/1035561687.db2.gz ABUXDOBIDLAGQW-UHFFFAOYSA-N 1 0 346.349 4.051 20 5 EIBDRO CC[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)CC(F)(F)F ZINC000595051223 1035571535 /nfs/dbraw/zinc/57/15/35/1035571535.db2.gz LTUHEHWZFWATFN-MNOVXSKESA-N 1 0 334.338 4.233 20 5 EIBDRO COc1cccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1C ZINC000595102843 1035587375 /nfs/dbraw/zinc/58/73/75/1035587375.db2.gz GLRJMLPBDQJBBV-GOSISDBHSA-N 1 0 326.396 4.079 20 5 EIBDRO COCc1csc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000595078074 1035591119 /nfs/dbraw/zinc/59/11/19/1035591119.db2.gz SMQSAUPYDJRJDL-SFHVURJKSA-N 1 0 346.452 4.360 20 5 EIBDRO COCc1csc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000595077872 1035591898 /nfs/dbraw/zinc/59/18/98/1035591898.db2.gz QTSVZVSKXNRISI-KRWDZBQOSA-N 1 0 346.452 4.315 20 5 EIBDRO COc1cccc(SCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000595415761 1035671865 /nfs/dbraw/zinc/67/18/65/1035671865.db2.gz SMIXHNLEFVKLFO-CYBMUJFWSA-N 1 0 332.425 4.046 20 5 EIBDRO CC[N@H+](CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000491002031 1035769868 /nfs/dbraw/zinc/76/98/68/1035769868.db2.gz AGLKPGJAYWHCEX-FQEVSTJZSA-N 1 0 341.455 4.004 20 5 EIBDRO CCC1(CC)CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000595752831 1035785563 /nfs/dbraw/zinc/78/55/63/1035785563.db2.gz PBNNJDRBHOVANZ-UHFFFAOYSA-N 1 0 344.415 4.047 20 5 EIBDRO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC(F)CC1 ZINC000595819971 1035792156 /nfs/dbraw/zinc/79/21/56/1035792156.db2.gz RKOQNTDMOCWKKY-DNOWBOINSA-N 1 0 347.390 4.256 20 5 EIBDRO CC[C@@H](C)[N@H+](C)CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491050207 1035794418 /nfs/dbraw/zinc/79/44/18/1035794418.db2.gz GZXUAQCZSXGTHL-OXQOHEQNSA-N 1 0 341.455 4.004 20 5 EIBDRO COc1cccc(C2([NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])CCC2)c1 ZINC000595858973 1035801521 /nfs/dbraw/zinc/80/15/21/1035801521.db2.gz LHLABMDWKNAVGT-UHFFFAOYSA-N 1 0 346.814 4.426 20 5 EIBDRO CC(C)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC(F)(F)F ZINC000596098038 1035817500 /nfs/dbraw/zinc/81/75/00/1035817500.db2.gz QFYQOGRLEJZRQQ-CQSZACIVSA-N 1 0 344.377 4.484 20 5 EIBDRO Cc1cc([C@H]2CN([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)ccc1F ZINC000491160605 1035818363 /nfs/dbraw/zinc/81/83/63/1035818363.db2.gz IGMYATJJKQCGEI-IFXJQAMLSA-N 1 0 344.386 4.177 20 5 EIBDRO CC(C)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCCC1 ZINC000491184698 1035822699 /nfs/dbraw/zinc/82/26/99/1035822699.db2.gz ASHITKMFHXTWLT-UHFFFAOYSA-N 1 0 344.415 4.188 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1[N+](=O)[O-] ZINC000586791243 1035847797 /nfs/dbraw/zinc/84/77/97/1035847797.db2.gz VYUITOFPEJIGLH-NWDGAFQWSA-N 1 0 341.367 4.162 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1)c1cccc([N+](=O)[O-])c1 ZINC000586790609 1035848065 /nfs/dbraw/zinc/84/80/65/1035848065.db2.gz NSEYICRDRMZAJR-ABAIWWIYSA-N 1 0 341.367 4.244 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1[N+](=O)[O-] ZINC000586791245 1035848452 /nfs/dbraw/zinc/84/84/52/1035848452.db2.gz VYUITOFPEJIGLH-VXGBXAGGSA-N 1 0 341.367 4.162 20 5 EIBDRO COc1cc(C[NH2+][C@H](CC(F)F)c2ccccc2)ccc1[N+](=O)[O-] ZINC000420996776 1035932117 /nfs/dbraw/zinc/93/21/17/1035932117.db2.gz QZAPLSGZSVKVOU-CQSZACIVSA-N 1 0 336.338 4.090 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@H](c2ccccc2)C1 ZINC000485797557 1036280866 /nfs/dbraw/zinc/28/08/66/1036280866.db2.gz YMNKDWQRDMYLLR-KXBFYZLASA-N 1 0 326.396 4.038 20 5 EIBDRO CC(C)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1 ZINC000502525534 1036290056 /nfs/dbraw/zinc/29/00/56/1036290056.db2.gz UZDDYTIXEPZWMK-SFHVURJKSA-N 1 0 342.374 4.097 20 5 EIBDRO Cc1c(C[NH2+][C@@H](C)c2ccc3ncsc3c2)cccc1[N+](=O)[O-] ZINC000485831552 1036296077 /nfs/dbraw/zinc/29/60/77/1036296077.db2.gz HYSMOIPYSSRSSH-LBPRGKRZSA-N 1 0 327.409 4.364 20 5 EIBDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000760697345 1036385267 /nfs/dbraw/zinc/38/52/67/1036385267.db2.gz BYLXKAPHEGSICO-WNSKOXEYSA-N 1 0 325.477 4.240 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@@H]2CC2(F)F)s1 ZINC000598647494 1036735367 /nfs/dbraw/zinc/73/53/67/1036735367.db2.gz NBUVNCONMMZKPY-LLVKDONJSA-N 1 0 338.379 4.458 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(C)OCCc2sccc21 ZINC000589349728 1036759738 /nfs/dbraw/zinc/75/97/38/1036759738.db2.gz UTBDTCMGFSQOLF-ACJLOTCBSA-N 1 0 346.452 4.103 20 5 EIBDRO Cc1ccc(C[NH2+]CCSCc2ccccc2F)cc1[N+](=O)[O-] ZINC000061027663 1036784660 /nfs/dbraw/zinc/78/46/60/1036784660.db2.gz BNVNIQOHNFBWJG-UHFFFAOYSA-N 1 0 334.416 4.065 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000061043948 1036794538 /nfs/dbraw/zinc/79/45/38/1036794538.db2.gz OFDQVJFXJDTPMI-UHFFFAOYSA-N 1 0 348.402 4.464 20 5 EIBDRO Cn1cc(C[N@@H+]2CCC[C@H]2C(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513759904 1036821516 /nfs/dbraw/zinc/82/15/16/1036821516.db2.gz HRQWOBBWMVVKFJ-KRWDZBQOSA-N 1 0 342.443 4.006 20 5 EIBDRO COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000421845169 1036821951 /nfs/dbraw/zinc/82/19/51/1036821951.db2.gz WDGLJWGTGOVJRZ-LBPRGKRZSA-N 1 0 334.803 4.416 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2csc(C(F)(F)F)c2)cc1 ZINC000598964476 1036827684 /nfs/dbraw/zinc/82/76/84/1036827684.db2.gz WIYUVBMFFNZFFO-UHFFFAOYSA-N 1 0 330.331 4.007 20 5 EIBDRO Cc1ccc(OCCCC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000061112908 1036844253 /nfs/dbraw/zinc/84/42/53/1036844253.db2.gz AURWPMUBZXTCDB-UHFFFAOYSA-N 1 0 328.412 4.160 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)C1CC1 ZINC000421895545 1036845361 /nfs/dbraw/zinc/84/53/61/1036845361.db2.gz YRGOILVLGCZOTO-DLBZAZTESA-N 1 0 346.496 4.039 20 5 EIBDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000486780497 1036850308 /nfs/dbraw/zinc/85/03/08/1036850308.db2.gz VMPZCYFKJDFLQR-CZUORRHYSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccccc1CC(F)(F)F ZINC000599018542 1036852484 /nfs/dbraw/zinc/85/24/84/1036852484.db2.gz YFPPOFZLYFWANF-UHFFFAOYSA-N 1 0 338.329 4.298 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC[C@H]2CCCOC2)c2ccccc2)c1 ZINC000599057412 1036864386 /nfs/dbraw/zinc/86/43/86/1036864386.db2.gz OMOJLSSTUPIUAT-UZLBHIALSA-N 1 0 340.423 4.091 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000599088356 1036872734 /nfs/dbraw/zinc/87/27/34/1036872734.db2.gz QHXZVXRXCFHUDJ-GFCCVEGCSA-N 1 0 342.342 4.452 20 5 EIBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000603857570 1037049481 /nfs/dbraw/zinc/04/94/81/1037049481.db2.gz XXRZVHZNLGEPBF-MRXNPFEDSA-N 1 0 346.814 4.464 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000603866520 1037062081 /nfs/dbraw/zinc/06/20/81/1037062081.db2.gz YQQRPRDJXJUNBL-UHFFFAOYSA-N 1 0 349.434 4.498 20 5 EIBDRO CC(C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000599533401 1037064978 /nfs/dbraw/zinc/06/49/78/1037064978.db2.gz MPCKTYFDHOPLQM-UHFFFAOYSA-N 1 0 341.436 4.272 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC000603889991 1037078426 /nfs/dbraw/zinc/07/84/26/1037078426.db2.gz JFYHKSFNZSAINO-KRWDZBQOSA-N 1 0 335.407 4.456 20 5 EIBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000604012184 1037147158 /nfs/dbraw/zinc/14/71/58/1037147158.db2.gz IOEHJSOPKSMHDZ-QGZVFWFLSA-N 1 0 332.425 4.262 20 5 EIBDRO O=[N+]([O-])c1ccc(OCCC[N@H+](Cc2cccs2)C2CC2)cc1 ZINC000604012318 1037148223 /nfs/dbraw/zinc/14/82/23/1037148223.db2.gz WPILCXADNUCWOE-UHFFFAOYSA-N 1 0 332.425 4.090 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000573057667 1037248065 /nfs/dbraw/zinc/24/80/65/1037248065.db2.gz MCXUSAOMAKMWOZ-CQSZACIVSA-N 1 0 325.412 4.028 20 5 EIBDRO C[C@@H](CCC1CC1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000469189476 1037262499 /nfs/dbraw/zinc/26/24/99/1037262499.db2.gz QUITUUIVVDNUAU-LBPRGKRZSA-N 1 0 331.441 4.387 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCC3(CCCC3)O2)C2CC2)cc1 ZINC000570025190 1037377653 /nfs/dbraw/zinc/37/76/53/1037377653.db2.gz XBDMBPDMQAVHQO-GOSISDBHSA-N 1 0 330.428 4.051 20 5 EIBDRO CCC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000604492940 1037407357 /nfs/dbraw/zinc/40/73/57/1037407357.db2.gz CHAGJUQKEOQKTO-UHFFFAOYSA-N 1 0 344.411 4.024 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592157786 1037765488 /nfs/dbraw/zinc/76/54/88/1037765488.db2.gz MRKDSAOXNALKMG-CQSZACIVSA-N 1 0 348.443 4.100 20 5 EIBDRO CC(C)C[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000058581373 1037871633 /nfs/dbraw/zinc/87/16/33/1037871633.db2.gz BQSWYNQRXDWTAH-UHFFFAOYSA-N 1 0 345.365 4.146 20 5 EIBDRO CSc1ccc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000500229608 1037899626 /nfs/dbraw/zinc/89/96/26/1037899626.db2.gz GUGWLJALTZWSRE-ZDUSSCGKSA-N 1 0 332.425 4.046 20 5 EIBDRO CCC[C@H]([NH2+][C@H]1CCCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000503858871 1037945431 /nfs/dbraw/zinc/94/54/31/1037945431.db2.gz SIEOYSJFTTXVIN-ROUUACIJSA-N 1 0 332.444 4.375 20 5 EIBDRO CC(C)c1ccc([C@H]([NH3+])CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000423243136 1038075716 /nfs/dbraw/zinc/07/57/16/1038075716.db2.gz MTRKAWPNUDPSRU-IFXJQAMLSA-N 1 0 327.428 4.069 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000423427464 1038231556 /nfs/dbraw/zinc/23/15/56/1038231556.db2.gz QMGJWMQDUIWGPO-YVEFUNNKSA-N 1 0 341.411 4.130 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)CCCN3)CCC2 ZINC000423453084 1038251301 /nfs/dbraw/zinc/25/13/01/1038251301.db2.gz XDIMUINNJXLKOD-HXUWFJFHSA-N 1 0 337.423 4.120 20 5 EIBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000173403360 1038312167 /nfs/dbraw/zinc/31/21/67/1038312167.db2.gz QPIFCDCPRAHOFW-VBKZILBWSA-N 1 0 336.391 4.132 20 5 EIBDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000490060566 1038326309 /nfs/dbraw/zinc/32/63/09/1038326309.db2.gz NKRSJUQKESVANC-QGZVFWFLSA-N 1 0 334.803 4.068 20 5 EIBDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000490060565 1038327109 /nfs/dbraw/zinc/32/71/09/1038327109.db2.gz NKRSJUQKESVANC-KRWDZBQOSA-N 1 0 334.803 4.068 20 5 EIBDRO CCCCOCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000490117798 1038348201 /nfs/dbraw/zinc/34/82/01/1038348201.db2.gz ICANZEHGQGDLMD-IBGZPJMESA-N 1 0 328.412 4.091 20 5 EIBDRO COc1ccc(C[NH2+][C@H](C)c2cc(C)c(C)cc2C)cc1[N+](=O)[O-] ZINC000539075740 1038823902 /nfs/dbraw/zinc/82/39/02/1038823902.db2.gz KHELEWHWSBOCPB-OAHLLOKOSA-N 1 0 328.412 4.379 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000539269090 1038905749 /nfs/dbraw/zinc/90/57/49/1038905749.db2.gz QSBTUSWQFUUGNX-UONOGXRCSA-N 1 0 344.411 4.414 20 5 EIBDRO CC[C@@H](C)N(C)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000608910904 1038950307 /nfs/dbraw/zinc/95/03/07/1038950307.db2.gz VWONUVPDECSGGW-CQSZACIVSA-N 1 0 347.484 4.143 20 5 EIBDRO Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CCCO2 ZINC000089512272 1039065833 /nfs/dbraw/zinc/06/58/33/1039065833.db2.gz IDLKMOBLCUGTDM-QGZVFWFLSA-N 1 0 326.396 4.215 20 5 EIBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000481172947 1039095265 /nfs/dbraw/zinc/09/52/65/1039095265.db2.gz GMNNDZHVPNRCOS-IGCXYCKISA-N 1 0 329.400 4.164 20 5 EIBDRO CC[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000534122740 1039121725 /nfs/dbraw/zinc/12/17/25/1039121725.db2.gz WOQAKDMVJRMQGB-AWEZNQCLSA-N 1 0 329.400 4.262 20 5 EIBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000927035169 1039355031 /nfs/dbraw/zinc/35/50/31/1039355031.db2.gz GCDRUFRZAYDBHI-IUODEOHRSA-N 1 0 338.448 4.073 20 5 EIBDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000481395269 1039380443 /nfs/dbraw/zinc/38/04/43/1039380443.db2.gz ZPQUKYCGRLFUID-YVEFUNNKSA-N 1 0 334.803 4.114 20 5 EIBDRO CCC1CCC([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000514087854 1039590436 /nfs/dbraw/zinc/59/04/36/1039590436.db2.gz IOKFPFIVUMRVHG-UHFFFAOYSA-N 1 0 344.415 4.045 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481691669 1039733704 /nfs/dbraw/zinc/73/37/04/1039733704.db2.gz HZAUUISFFIEQRE-FOIQADDNSA-N 1 0 338.407 4.177 20 5 EIBDRO Cc1c(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478484592 1039794717 /nfs/dbraw/zinc/79/47/17/1039794717.db2.gz BWISLWPTUZINNJ-HNAYVOBHSA-N 1 0 345.487 4.036 20 5 EIBDRO CCc1noc(C)c1C[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000550864421 1039805873 /nfs/dbraw/zinc/80/58/73/1039805873.db2.gz YBMRKGFSHRIYNM-CYBMUJFWSA-N 1 0 349.456 4.114 20 5 EIBDRO CC(C)[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534857159 1039826856 /nfs/dbraw/zinc/82/68/56/1039826856.db2.gz JPKSKYINVDVVRG-QGZVFWFLSA-N 1 0 329.400 4.260 20 5 EIBDRO COCc1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)ccc1F ZINC000192882029 1039829017 /nfs/dbraw/zinc/82/90/17/1039829017.db2.gz WEZSPOWBSBVEIE-IBGZPJMESA-N 1 0 344.386 4.048 20 5 EIBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000514318837 1039834187 /nfs/dbraw/zinc/83/41/87/1039834187.db2.gz UBAVWJYABUVMBC-LJQANCHMSA-N 1 0 343.427 4.098 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000481817871 1039839732 /nfs/dbraw/zinc/83/97/32/1039839732.db2.gz TWBOOAGZNNGRDQ-LSDHHAIUSA-N 1 0 344.386 4.168 20 5 EIBDRO COCc1ccccc1/C=C(\C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000510014468 1039851696 /nfs/dbraw/zinc/85/16/96/1039851696.db2.gz NZEJUPFZCGUTDC-RBFDBLARSA-N 1 0 340.423 4.495 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C(=O)OC)cc1 ZINC000551006790 1039869582 /nfs/dbraw/zinc/86/95/82/1039869582.db2.gz WSWBBHQXRZEPEE-ACJLOTCBSA-N 1 0 342.395 4.183 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000029824794 1040282273 /nfs/dbraw/zinc/28/22/73/1040282273.db2.gz JHNTYJJVLQSOBG-HNNXBMFYSA-N 1 0 337.379 4.116 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]CCCCc2ccc(F)c(F)c2)cs1 ZINC000479420729 1040322502 /nfs/dbraw/zinc/32/25/02/1040322502.db2.gz MLINXQKKDYDAEH-UHFFFAOYSA-N 1 0 326.368 4.047 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CC2(C(F)F)CC2)c2ccccc2)c1 ZINC000479456950 1040365520 /nfs/dbraw/zinc/36/55/20/1040365520.db2.gz WTOMGGTYZVJGER-MRXNPFEDSA-N 1 0 332.350 4.319 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2cccc(O)c2)s1 ZINC000171052534 1040381159 /nfs/dbraw/zinc/38/11/59/1040381159.db2.gz BARQGORUMAYMQH-UHFFFAOYSA-N 1 0 340.404 4.319 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000539424255 1040432812 /nfs/dbraw/zinc/43/28/12/1040432812.db2.gz VBXRZOUEXZMXBT-LJQANCHMSA-N 1 0 344.386 4.292 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2cccc(Cl)c2Cl)cs1 ZINC000539462149 1040458703 /nfs/dbraw/zinc/45/87/03/1040458703.db2.gz YKWTUWCIKQSVFX-UHFFFAOYSA-N 1 0 331.224 4.295 20 5 EIBDRO C[C@@H](c1ccccc1)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089883090 1040503708 /nfs/dbraw/zinc/50/37/08/1040503708.db2.gz VUQWQKIEFFBDKX-AWEZNQCLSA-N 1 0 337.379 4.443 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000160524062 1040578304 /nfs/dbraw/zinc/57/83/04/1040578304.db2.gz XFCDBDDSOZGCKE-AWEZNQCLSA-N 1 0 346.452 4.371 20 5 EIBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCC(C)(C)C1 ZINC000483106997 1040702618 /nfs/dbraw/zinc/70/26/18/1040702618.db2.gz CHPKFQIFKUEBIJ-MRXNPFEDSA-N 1 0 343.427 4.303 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000483165066 1040751232 /nfs/dbraw/zinc/75/12/32/1040751232.db2.gz BEGGDRSAHYLORG-RHSMWYFYSA-N 1 0 343.402 4.054 20 5 EIBDRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515433311 1040758519 /nfs/dbraw/zinc/75/85/19/1040758519.db2.gz RIIQEPYDPBJLOE-BDJLRTHQSA-N 1 0 330.359 4.081 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000515433399 1040759604 /nfs/dbraw/zinc/75/96/04/1040759604.db2.gz STHQZJRDWQLFQW-ZTNFWEORSA-N 1 0 338.407 4.092 20 5 EIBDRO CCc1ccc([C@H]([NH2+][C@@H]2CC[C@H](F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000554093040 1040777495 /nfs/dbraw/zinc/77/74/95/1040777495.db2.gz UIVIOIXKYXMNTI-PMUMKWKESA-N 1 0 332.375 4.320 20 5 EIBDRO CC[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000193023856 1040789000 /nfs/dbraw/zinc/78/90/00/1040789000.db2.gz HWOGXLYTQZPBDK-ROUUACIJSA-N 1 0 343.427 4.066 20 5 EIBDRO CC[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000160837563 1040805130 /nfs/dbraw/zinc/80/51/30/1040805130.db2.gz XTZABURPPSFCNF-RBUKOAKNSA-N 1 0 328.412 4.149 20 5 EIBDRO C[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000539825907 1040822438 /nfs/dbraw/zinc/82/24/38/1040822438.db2.gz XRMPGKKHASICCW-QWHCGFSZSA-N 1 0 331.441 4.196 20 5 EIBDRO Cc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000539837348 1040833916 /nfs/dbraw/zinc/83/39/16/1040833916.db2.gz UEPZZLZZFVLXFT-SFHVURJKSA-N 1 0 338.407 4.141 20 5 EIBDRO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000515553203 1040850728 /nfs/dbraw/zinc/85/07/28/1040850728.db2.gz XAHFNLZOWQCVSM-GOSISDBHSA-N 1 0 340.423 4.119 20 5 EIBDRO Cc1[nH]c2ccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3F)cc2c1C ZINC000480013452 1040864884 /nfs/dbraw/zinc/86/48/84/1040864884.db2.gz FLROCBSBKQWVDZ-UHFFFAOYSA-N 1 0 327.359 4.122 20 5 EIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000462732965 1040873637 /nfs/dbraw/zinc/87/36/37/1040873637.db2.gz FTZKBGCJFNSHGM-SGMGOOAPSA-N 1 0 340.370 4.255 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000537940826 1040905936 /nfs/dbraw/zinc/90/59/36/1040905936.db2.gz XZNOMLWDAOWMIC-GOEBONIOSA-N 1 0 343.402 4.054 20 5 EIBDRO CCc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000537976613 1040946850 /nfs/dbraw/zinc/94/68/50/1040946850.db2.gz DCCMUIFAQQCQOZ-FZKQIMNGSA-N 1 0 326.396 4.332 20 5 EIBDRO CCC[C@H]([NH2+][C@H]1CCCC[C@H]1n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000483687063 1040960466 /nfs/dbraw/zinc/96/04/66/1040960466.db2.gz SOWGQVJEFNUEHH-GBESFXJTSA-N 1 0 342.443 4.406 20 5 EIBDRO CC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])CC(C)(C)C ZINC000462832791 1041014034 /nfs/dbraw/zinc/01/40/34/1041014034.db2.gz IRNMBRFODFPRCN-UHFFFAOYSA-N 1 0 346.374 4.073 20 5 EIBDRO COc1cccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)c1 ZINC000538127899 1041084358 /nfs/dbraw/zinc/08/43/58/1041084358.db2.gz AGGRAICRVGCIKS-AWEZNQCLSA-N 1 0 344.411 4.241 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CC)CSC ZINC000538194848 1041161297 /nfs/dbraw/zinc/16/12/97/1041161297.db2.gz LUJJQCBHNIWYNJ-QWHCGFSZSA-N 1 0 328.503 4.197 20 5 EIBDRO CCC[C@@H]([NH2+][C@H]1COc2ccc(C)cc21)c1cccc([N+](=O)[O-])c1 ZINC000540158505 1041187827 /nfs/dbraw/zinc/18/78/27/1041187827.db2.gz MHIPAKKNJIIAMJ-MSOLQXFVSA-N 1 0 326.396 4.468 20 5 EIBDRO C[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000540189159 1041234643 /nfs/dbraw/zinc/23/46/43/1041234643.db2.gz YGVOOTFBPGJYCZ-CHWSQXEVSA-N 1 0 334.803 4.366 20 5 EIBDRO Cc1nc(C)c([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000540186694 1041251981 /nfs/dbraw/zinc/25/19/81/1041251981.db2.gz JGNVZBKXVUBNPH-GFCCVEGCSA-N 1 0 333.457 4.342 20 5 EIBDRO CC(C)[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccnc1 ZINC000554740789 1041373124 /nfs/dbraw/zinc/37/31/24/1041373124.db2.gz IYYVSQCWEODDBE-IBGZPJMESA-N 1 0 338.411 4.001 20 5 EIBDRO COc1ccc(C2([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000538522921 1041392884 /nfs/dbraw/zinc/39/28/84/1041392884.db2.gz UYCFBWLBZULQDO-CQSZACIVSA-N 1 0 326.396 4.252 20 5 EIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000036919674 1041405548 /nfs/dbraw/zinc/40/55/48/1041405548.db2.gz OIROBBXNVGZKGV-NSHDSACASA-N 1 0 335.201 4.208 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505880238 1041476311 /nfs/dbraw/zinc/47/63/11/1041476311.db2.gz RLNRIGYVHQZZCO-HOTGVXAUSA-N 1 0 326.396 4.057 20 5 EIBDRO COc1cc(C[NH2+][C@H](C)c2ccccc2OC(C)C)ccc1[N+](=O)[O-] ZINC000538712265 1041484150 /nfs/dbraw/zinc/48/41/50/1041484150.db2.gz ARRBOMPVHSLMQA-CQSZACIVSA-N 1 0 344.411 4.241 20 5 EIBDRO CC[C@@H](CC(F)F)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595331943 1041494668 /nfs/dbraw/zinc/49/46/68/1041494668.db2.gz ZHMKILBZUPPMDJ-ZDUSSCGKSA-N 1 0 342.386 4.119 20 5 EIBDRO CC(C)[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000538812950 1041550047 /nfs/dbraw/zinc/55/00/47/1041550047.db2.gz RCIGGWXHHZJUTO-AWEZNQCLSA-N 1 0 331.441 4.196 20 5 EIBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463445156 1041570204 /nfs/dbraw/zinc/57/02/04/1041570204.db2.gz TVXHFTMLMQIRDH-CABCVRRESA-N 1 0 346.349 4.027 20 5 EIBDRO COc1cc(C[NH2+][C@H](c2ccccc2)C(C)C)c([N+](=O)[O-])cc1F ZINC000463479245 1041590916 /nfs/dbraw/zinc/59/09/16/1041590916.db2.gz QWSHUEYWXGHDAK-SFHVURJKSA-N 1 0 332.375 4.229 20 5 EIBDRO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000463715403 1041715893 /nfs/dbraw/zinc/71/58/93/1041715893.db2.gz NTFOWJQCSVYCHW-SNVBAGLBSA-N 1 0 328.290 4.285 20 5 EIBDRO C[C@@H]1c2ccccc2C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000541201050 1041842806 /nfs/dbraw/zinc/84/28/06/1041842806.db2.gz JDFNRSQHIHQECM-CQSZACIVSA-N 1 0 349.390 4.369 20 5 EIBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CC=CCC1 ZINC000541315500 1041889303 /nfs/dbraw/zinc/88/93/03/1041889303.db2.gz CKUROJLUXSSQOS-OAHLLOKOSA-N 1 0 341.411 4.080 20 5 EIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000541602459 1042030155 /nfs/dbraw/zinc/03/01/55/1042030155.db2.gz CELHOMYJMRXCCK-GJZGRUSLSA-N 1 0 347.459 4.036 20 5 EIBDRO COc1cc(C[NH2+][C@H](C)[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000464496346 1042048443 /nfs/dbraw/zinc/04/84/43/1042048443.db2.gz VLOKUGKAANVYGX-QWHCGFSZSA-N 1 0 332.375 4.024 20 5 EIBDRO COc1cc(C[NH2+][C@H](C)[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000464496344 1042049170 /nfs/dbraw/zinc/04/91/70/1042049170.db2.gz VLOKUGKAANVYGX-CHWSQXEVSA-N 1 0 332.375 4.024 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCc2cccc(C(F)(F)F)c2)c1 ZINC000517550027 1042077653 /nfs/dbraw/zinc/07/76/53/1042077653.db2.gz MQQGWURPVWRFTL-UHFFFAOYSA-N 1 0 338.329 4.336 20 5 EIBDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000464731336 1042135958 /nfs/dbraw/zinc/13/59/58/1042135958.db2.gz FDWZAXAMDAQFBP-BBRMVZONSA-N 1 0 344.415 4.045 20 5 EIBDRO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000464729082 1042142419 /nfs/dbraw/zinc/14/24/19/1042142419.db2.gz ZGUSGFVDSNJEPY-IFXJQAMLSA-N 1 0 328.387 4.360 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000464776691 1042158632 /nfs/dbraw/zinc/15/86/32/1042158632.db2.gz SGWBXOYSZQJFLL-KRWDZBQOSA-N 1 0 342.464 4.252 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC000090217630 1042183949 /nfs/dbraw/zinc/18/39/49/1042183949.db2.gz XDAWKMBXDOOQNO-QWHCGFSZSA-N 1 0 332.375 4.463 20 5 EIBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+](C)C2CCC2)cc1OC ZINC000541985976 1042209125 /nfs/dbraw/zinc/20/91/25/1042209125.db2.gz ZHISPBADUTXKLJ-ZDUSSCGKSA-N 1 0 336.432 4.013 20 5 EIBDRO CO[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(C)(C)C ZINC000464999052 1042270872 /nfs/dbraw/zinc/27/08/72/1042270872.db2.gz BCZQASLQWDXMJV-QGZVFWFLSA-N 1 0 348.468 4.474 20 5 EIBDRO COc1ccc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000518005755 1042305867 /nfs/dbraw/zinc/30/58/67/1042305867.db2.gz XNVDRQOPIQBCMO-KRWDZBQOSA-N 1 0 340.423 4.058 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000271815514 1042412218 /nfs/dbraw/zinc/41/22/18/1042412218.db2.gz BIDKTMZRXRQIKC-LSKLOWJMSA-N 1 0 348.349 4.054 20 5 EIBDRO CCc1nc2c(s1)[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])CCC2 ZINC000271841578 1042436429 /nfs/dbraw/zinc/43/64/29/1042436429.db2.gz VZVHUQVGAUHWCY-AAEUAGOBSA-N 1 0 331.441 4.342 20 5 EIBDRO CCCOc1cccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000492192847 1042575522 /nfs/dbraw/zinc/57/55/22/1042575522.db2.gz KIBFITFKXRYMHJ-UHFFFAOYSA-N 1 0 328.412 4.409 20 5 EIBDRO CCOc1cc(CN([C@@H](C)c2ccco2)C2CC2)ccc1[N+](=O)[O-] ZINC000492540402 1042692701 /nfs/dbraw/zinc/69/27/01/1042692701.db2.gz UQDSUTDJCUIUPO-ZDUSSCGKSA-N 1 0 330.384 4.312 20 5 EIBDRO CCOc1cc(C[NH2+][C@H](c2ccccc2)C2CC2)ccc1[N+](=O)[O-] ZINC000492609643 1042705056 /nfs/dbraw/zinc/70/50/56/1042705056.db2.gz ULXFVNPMBCBOJV-LJQANCHMSA-N 1 0 326.396 4.234 20 5 EIBDRO CCOc1cc(C[NH2+][C@H](c2cccs2)C2CC2)ccc1[N+](=O)[O-] ZINC000492605927 1042707025 /nfs/dbraw/zinc/70/70/25/1042707025.db2.gz JEGZUBNTHCFJCJ-KRWDZBQOSA-N 1 0 332.425 4.296 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(Cl)cc1 ZINC000492732280 1042734886 /nfs/dbraw/zinc/73/48/86/1042734886.db2.gz XTIBLRKKPWBJDG-OAHLLOKOSA-N 1 0 334.803 4.498 20 5 EIBDRO CCOc1cc(C[NH2+]C(C)(C)c2ccccc2OC)ccc1[N+](=O)[O-] ZINC000492723345 1042736150 /nfs/dbraw/zinc/73/61/50/1042736150.db2.gz PVDLRLICPCNLLT-UHFFFAOYSA-N 1 0 344.411 4.027 20 5 EIBDRO CC(C)C[C@H](CNc1ncccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC000518927282 1042760467 /nfs/dbraw/zinc/76/04/67/1042760467.db2.gz DORPAKIEZNGYHK-NVXWUHKLSA-N 1 0 342.443 4.167 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCC2CCOCC2)c2ccccc2)c1 ZINC000493277091 1042890796 /nfs/dbraw/zinc/89/07/96/1042890796.db2.gz OOWWECYWNLERNE-FQEVSTJZSA-N 1 0 340.423 4.091 20 5 EIBDRO CCCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c(C)c1 ZINC000474008783 1043024227 /nfs/dbraw/zinc/02/42/27/1043024227.db2.gz LQUJMEIAHWNMJH-UHFFFAOYSA-N 1 0 328.412 4.290 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000132767258 1043061698 /nfs/dbraw/zinc/06/16/98/1043061698.db2.gz HDOCFRFDEGSZCM-MRXNPFEDSA-N 1 0 339.439 4.223 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]CCc2c[nH]c3ccc(F)cc23)cccc1[N+](=O)[O-] ZINC000346052213 1043129552 /nfs/dbraw/zinc/12/95/52/1043129552.db2.gz UWZZIPALPUREPT-CYBMUJFWSA-N 1 0 341.386 4.417 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](c2cccnc2)C(C)C)cc1[N+](=O)[O-] ZINC000164147841 1043302805 /nfs/dbraw/zinc/30/28/05/1043302805.db2.gz OLSIWTXNWYJNAF-MAUKXSAKSA-N 1 0 327.428 4.389 20 5 EIBDRO CCCCOc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000326174217 1043493109 /nfs/dbraw/zinc/49/31/09/1043493109.db2.gz HVQQMMSDGRGMPZ-UHFFFAOYSA-N 1 0 328.412 4.372 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000521067876 1043513242 /nfs/dbraw/zinc/51/32/42/1043513242.db2.gz DHEUWYLTTQQIIA-IAGOWNOFSA-N 1 0 342.370 4.225 20 5 EIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4CCC[C@H]4C3)CC2)cc1 ZINC000766190971 1043698547 /nfs/dbraw/zinc/69/85/47/1043698547.db2.gz JNNYPBCQFKDZRY-XYJFISCASA-N 1 0 343.471 4.122 20 5 EIBDRO O=[N+]([O-])c1c(NCCCCC[NH+]2CCCCC2)ccc2ncccc21 ZINC000521370931 1043736530 /nfs/dbraw/zinc/73/65/30/1043736530.db2.gz UUBNUTXEBVEHSG-UHFFFAOYSA-N 1 0 342.443 4.211 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000255850022 1043807420 /nfs/dbraw/zinc/80/74/20/1043807420.db2.gz SVTWHGGPZQBVGJ-HYXAFXHYSA-N 1 0 336.391 4.103 20 5 EIBDRO COc1ccc(C2([NH2+]Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 ZINC000731678579 1043816757 /nfs/dbraw/zinc/81/67/57/1043816757.db2.gz QVEQCGFDHBOPGQ-UHFFFAOYSA-N 1 0 332.787 4.036 20 5 EIBDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000078991237 1043823648 /nfs/dbraw/zinc/82/36/48/1043823648.db2.gz QWOZSZKAIWGQBX-CHWSQXEVSA-N 1 0 330.384 4.024 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)C1CC1 ZINC000442809987 1043853022 /nfs/dbraw/zinc/85/30/22/1043853022.db2.gz LVFGMLMLXXFNJA-HXUWFJFHSA-N 1 0 349.434 4.230 20 5 EIBDRO COCCC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000442866576 1043869252 /nfs/dbraw/zinc/86/92/52/1043869252.db2.gz WVTOTUREJXEOGA-LJQANCHMSA-N 1 0 346.402 4.034 20 5 EIBDRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1cc([N+](=O)[O-])ccc1OC ZINC000442893087 1043886351 /nfs/dbraw/zinc/88/63/51/1043886351.db2.gz RLFRXUHUMHORPP-UHFFFAOYSA-N 1 0 339.395 4.107 20 5 EIBDRO C[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173304472 1043888732 /nfs/dbraw/zinc/88/87/32/1043888732.db2.gz QJSUSTJRRAKPFE-OXQOHEQNSA-N 1 0 339.439 4.083 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccccc1OC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000173426730 1043964807 /nfs/dbraw/zinc/96/48/07/1043964807.db2.gz VCJBIOUBJBYIEB-CQSZACIVSA-N 1 0 326.396 4.377 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-n2cccn2)c1 ZINC000173457797 1043976480 /nfs/dbraw/zinc/97/64/80/1043976480.db2.gz GMDQZGLMDJGLTM-CABCVRRESA-N 1 0 336.395 4.192 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000245559481 1043981502 /nfs/dbraw/zinc/98/15/02/1043981502.db2.gz UEYDFSQVQBXWJV-RLFYNMQTSA-N 1 0 325.412 4.052 20 5 EIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ncc(-c2ccccc2)o1 ZINC000173986797 1044204308 /nfs/dbraw/zinc/20/43/08/1044204308.db2.gz SOXFRNJACNQTLW-AWEZNQCLSA-N 1 0 337.379 4.143 20 5 EIBDRO CCC[C@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000246564526 1044332963 /nfs/dbraw/zinc/33/29/63/1044332963.db2.gz NLPBRWYHTWKFTP-KGLIPLIRSA-N 1 0 344.415 4.218 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(C(F)(F)F)ccc2F)cc1 ZINC000522213589 1044388277 /nfs/dbraw/zinc/38/82/77/1044388277.db2.gz ITBAUHJHBNUPOO-UHFFFAOYSA-N 1 0 342.292 4.085 20 5 EIBDRO CCCC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCC1 ZINC000542522300 1044486291 /nfs/dbraw/zinc/48/62/91/1044486291.db2.gz TVYQOUFSAYTTOY-PBHICJAKSA-N 1 0 347.459 4.179 20 5 EIBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494970646 1044552123 /nfs/dbraw/zinc/55/21/23/1044552123.db2.gz OQFMAGIQOBBCDX-DFQSSKMNSA-N 1 0 340.423 4.089 20 5 EIBDRO C[C@@H]1CC[C@@H]([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000248552207 1044624965 /nfs/dbraw/zinc/62/49/65/1044624965.db2.gz IZUZTSBTVYUSMW-JKIFEVAISA-N 1 0 343.427 4.207 20 5 EIBDRO CCc1ccc([C@H]([NH2+]C[C@H]2CCCS2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544359266 1044625999 /nfs/dbraw/zinc/62/59/99/1044625999.db2.gz HOZSXVDBFJWZPX-SJLPKXTDSA-N 1 0 346.452 4.325 20 5 EIBDRO CCSc1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)ccn1 ZINC000193316192 1044894281 /nfs/dbraw/zinc/89/42/81/1044894281.db2.gz GFYICJZWJXWRMI-KRWDZBQOSA-N 1 0 343.452 4.269 20 5 EIBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCOC2(CCC2)C1 ZINC000895820486 1044916500 /nfs/dbraw/zinc/91/65/00/1044916500.db2.gz GIRIEWBOWRUKNE-MRXNPFEDSA-N 1 0 338.835 4.077 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCSCCC(F)(F)F ZINC000895834490 1044928930 /nfs/dbraw/zinc/92/89/30/1044928930.db2.gz SMZTZBUOEKVLJE-UHFFFAOYSA-N 1 0 342.770 4.023 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000922879023 1045017570 /nfs/dbraw/zinc/01/75/70/1045017570.db2.gz AXVNFRRXCGEEEZ-KRWDZBQOSA-N 1 0 325.412 4.280 20 5 EIBDRO COCC[C@@H]1CCCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470208339 1045064312 /nfs/dbraw/zinc/06/43/12/1045064312.db2.gz RLOCHBVYXWLCMQ-MOKGIYGOSA-N 1 0 332.444 4.137 20 5 EIBDRO Cc1noc(C)c1[C@@H](C)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302077852 1045159434 /nfs/dbraw/zinc/15/94/34/1045159434.db2.gz KDOPUGGKXAEAEU-JTQLQIEISA-N 1 0 340.383 4.272 20 5 EIBDRO COc1cccc2c1CCN(c1cc(C)[nH+]c3ccc([N+](=O)[O-])cc31)C2 ZINC000302109355 1045160202 /nfs/dbraw/zinc/16/02/02/1045160202.db2.gz YXRXYEPAKIGQEF-UHFFFAOYSA-N 1 0 349.390 4.023 20 5 EIBDRO CCc1ccc([C@H](NC2CC(F)(F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000429462842 1045164000 /nfs/dbraw/zinc/16/40/00/1045164000.db2.gz DLWOWVIJRUBFTB-MRXNPFEDSA-N 1 0 336.338 4.227 20 5 EIBDRO Cc1cc(N(C)C[C@H](C)c2nccs2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302177747 1045166503 /nfs/dbraw/zinc/16/65/03/1045166503.db2.gz RDWAHSZSCZKQDG-NSHDSACASA-N 1 0 342.424 4.148 20 5 EIBDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000740007086 1045174218 /nfs/dbraw/zinc/17/42/18/1045174218.db2.gz RKYATKASPABCCU-VBKZILBWSA-N 1 0 325.477 4.195 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCOc3ccccc32)C2CC2)cc1 ZINC000611254764 1045265983 /nfs/dbraw/zinc/26/59/83/1045265983.db2.gz QVKLFDNQJDFBAZ-INIZCTEOSA-N 1 0 338.407 4.126 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000611268264 1045271502 /nfs/dbraw/zinc/27/15/02/1045271502.db2.gz DXBPAWNVBIKVBN-QLQLNADESA-N 1 0 338.407 4.072 20 5 EIBDRO CCC1(O)CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000611314619 1045279711 /nfs/dbraw/zinc/27/97/11/1045279711.db2.gz SZBQUFKKHVYOJB-UHFFFAOYSA-N 1 0 344.411 4.028 20 5 EIBDRO CC[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCCC1 ZINC000611433625 1045307698 /nfs/dbraw/zinc/30/76/98/1045307698.db2.gz FDSNSOAHPCCSJQ-MRXNPFEDSA-N 1 0 344.415 4.093 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000611515615 1045320734 /nfs/dbraw/zinc/32/07/34/1045320734.db2.gz HCRBTJQTRCRNFZ-OXQOHEQNSA-N 1 0 340.423 4.428 20 5 EIBDRO COc1cc(C[NH2+]C(C)(C)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000611516684 1045321102 /nfs/dbraw/zinc/32/11/02/1045321102.db2.gz VVBVDBRPPJUXEG-UHFFFAOYSA-N 1 0 334.803 4.282 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000611517049 1045321265 /nfs/dbraw/zinc/32/12/65/1045321265.db2.gz KYRSCGUKCBMUPN-ULQDDVLXSA-N 1 0 332.444 4.103 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3Cc4ccccc43)o2)c1 ZINC000609222501 1045415620 /nfs/dbraw/zinc/41/56/20/1045415620.db2.gz QDAFMSYGPXRCIO-MRXNPFEDSA-N 1 0 334.375 4.284 20 5 EIBDRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000193901631 1045540303 /nfs/dbraw/zinc/54/03/03/1045540303.db2.gz WVBYCGWVTOBQKV-BFUOFWGJSA-N 1 0 326.396 4.332 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(Br)cs1 ZINC000194089429 1045618400 /nfs/dbraw/zinc/61/84/00/1045618400.db2.gz FRSKNQARTZWYSE-SECBINFHSA-N 1 0 341.230 4.270 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCCCCCC3)cs2)c1 ZINC000768145168 1045720773 /nfs/dbraw/zinc/72/07/73/1045720773.db2.gz XXACBPRHKBGDED-UHFFFAOYSA-N 1 0 331.441 4.484 20 5 EIBDRO CC(C)OC1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000090771534 1045831354 /nfs/dbraw/zinc/83/13/54/1045831354.db2.gz ALHIZCBGRNSQCR-CTWPCTMYSA-N 1 0 346.471 4.242 20 5 EIBDRO CCC(=O)N1CCC[N@H+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC000768926729 1045861502 /nfs/dbraw/zinc/86/15/02/1045861502.db2.gz PPWDGRZJDPOTNG-UHFFFAOYSA-N 1 0 346.474 4.437 20 5 EIBDRO CCOc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000153842200 1045909632 /nfs/dbraw/zinc/90/96/32/1045909632.db2.gz LOXSRESNKHIOIE-AWEZNQCLSA-N 1 0 344.411 4.161 20 5 EIBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CC(C)C)[C@H](C)c1ccccc1C ZINC001170244612 1045949136 /nfs/dbraw/zinc/94/91/36/1045949136.db2.gz NQTMHKZRJDQXLR-MRXNPFEDSA-N 1 0 344.459 4.127 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCc3cc(C)ccc32)c([N+](=O)[O-])c1 ZINC001170304307 1045983825 /nfs/dbraw/zinc/98/38/25/1045983825.db2.gz BFZZDQRWEYYEPI-LIRRHRJNSA-N 1 0 340.423 4.120 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC001170304915 1045985066 /nfs/dbraw/zinc/98/50/66/1045985066.db2.gz HWPAVYKLDUUGNS-ZDUSSCGKSA-N 1 0 340.379 4.070 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)cc1 ZINC000237832083 1045994047 /nfs/dbraw/zinc/99/40/47/1045994047.db2.gz CIWZQEIWZUWVGK-UHFFFAOYSA-N 1 0 329.787 4.062 20 5 EIBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC001170347166 1046021256 /nfs/dbraw/zinc/02/12/56/1046021256.db2.gz QYRVBLAPXDIHTG-CJNGLKHVSA-N 1 0 346.452 4.433 20 5 EIBDRO O=[N+]([O-])c1cnc(NCc2ccccc2C[NH+]2CCCCCC2)s1 ZINC000192454119 1046256285 /nfs/dbraw/zinc/25/62/85/1046256285.db2.gz SEGSHMDRQRJJLI-UHFFFAOYSA-N 1 0 346.456 4.039 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000154183174 1046357931 /nfs/dbraw/zinc/35/79/31/1046357931.db2.gz YZOJWAQRJFWNSF-KGLIPLIRSA-N 1 0 344.411 4.332 20 5 EIBDRO C[NH+]1C(C)(C)CC(Nc2cc([N+](=O)[O-])cc3cc[nH]c32)CC1(C)C ZINC001170451736 1046509455 /nfs/dbraw/zinc/50/94/55/1046509455.db2.gz XNJFGWOKRZMNJZ-UHFFFAOYSA-N 1 0 330.432 4.139 20 5 EIBDRO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000536662335 1046633859 /nfs/dbraw/zinc/63/38/59/1046633859.db2.gz YDNMYKKWWVGLQS-CYBMUJFWSA-N 1 0 333.457 4.424 20 5 EIBDRO CC(C)c1ccc(C[NH2+]CCSCC(F)(F)F)cc1[N+](=O)[O-] ZINC000536702994 1046702576 /nfs/dbraw/zinc/70/25/76/1046702576.db2.gz QLPGQVUENQRAGE-UHFFFAOYSA-N 1 0 336.379 4.103 20 5 EIBDRO CCCCOc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000917137654 1046767878 /nfs/dbraw/zinc/76/78/78/1046767878.db2.gz XLIYOPRCXWIKKC-UHFFFAOYSA-N 1 0 328.412 4.372 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000536840185 1046815694 /nfs/dbraw/zinc/81/56/94/1046815694.db2.gz SIXXKSDXVVDYAX-BFUOFWGJSA-N 1 0 341.411 4.190 20 5 EIBDRO COCCC1(C)C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000459634178 1046826152 /nfs/dbraw/zinc/82/61/52/1046826152.db2.gz QPKMUFLQGLBKSD-UHFFFAOYSA-N 1 0 346.452 4.182 20 5 EIBDRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000459642408 1046831495 /nfs/dbraw/zinc/83/14/95/1046831495.db2.gz BPVFNXNTQSRGQR-IAGOWNOFSA-N 1 0 341.455 4.312 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000459652348 1046838044 /nfs/dbraw/zinc/83/80/44/1046838044.db2.gz QIDKHJRPBQGZTJ-QWHCGFSZSA-N 1 0 345.468 4.212 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000786820758 1046875309 /nfs/dbraw/zinc/87/53/09/1046875309.db2.gz KNLUKPGXDHVIFY-PTNGSMBKSA-N 1 0 340.423 4.015 20 5 EIBDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000786860432 1046875426 /nfs/dbraw/zinc/87/54/26/1046875426.db2.gz IHWQQZDGGUXFMK-YVEFUNNKSA-N 1 0 334.803 4.114 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000787405582 1047007094 /nfs/dbraw/zinc/00/70/94/1047007094.db2.gz AFAHGEKKGMCPBY-GXDHUFHOSA-N 1 0 341.367 4.038 20 5 EIBDRO CS[C@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537325747 1047111333 /nfs/dbraw/zinc/11/13/33/1047111333.db2.gz OFCNTYJEXPWYLX-SNVBAGLBSA-N 1 0 340.832 4.349 20 5 EIBDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788481037 1047198488 /nfs/dbraw/zinc/19/84/88/1047198488.db2.gz OZRFBGAUOQMYPC-DOMZBBRYSA-N 1 0 332.350 4.251 20 5 EIBDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788593359 1047240452 /nfs/dbraw/zinc/24/04/52/1047240452.db2.gz XKNUZMXCYNXBOM-CSMYWGQOSA-N 1 0 344.411 4.012 20 5 EIBDRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788593363 1047241830 /nfs/dbraw/zinc/24/18/30/1047241830.db2.gz XKNUZMXCYNXBOM-JLZZUVOBSA-N 1 0 344.411 4.012 20 5 EIBDRO C[C@H]([NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788624908 1047253664 /nfs/dbraw/zinc/25/36/64/1047253664.db2.gz HZLUMRFHAYZYEF-ZKTNFTSUSA-N 1 0 343.402 4.290 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCc3ccc(Cl)nc32)cc1 ZINC000788666147 1047268995 /nfs/dbraw/zinc/26/89/95/1047268995.db2.gz QIFNWRICTZBWLF-MRXNPFEDSA-N 1 0 345.830 4.243 20 5 EIBDRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(C)c1 ZINC000788774484 1047312473 /nfs/dbraw/zinc/31/24/73/1047312473.db2.gz FFOWGRSZAFLZKL-AWEZNQCLSA-N 1 0 343.427 4.125 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1cccc(OCC[NH+](C)C)c1 ZINC000537534165 1047674730 /nfs/dbraw/zinc/67/47/30/1047674730.db2.gz AWWMIHCEUVMOIZ-OAHLLOKOSA-N 1 0 343.427 4.017 20 5 EIBDRO COc1ccc(C[NH2+]C[C@@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000609287699 1047692455 /nfs/dbraw/zinc/69/24/55/1047692455.db2.gz UBBCETQUYWKBMF-QGZVFWFLSA-N 1 0 328.412 4.133 20 5 EIBDRO OC[C@H](C[NH2+]Cc1c2ccccc2cc2ccccc21)c1cccnc1 ZINC000808431594 1047942735 /nfs/dbraw/zinc/94/27/35/1047942735.db2.gz VSCOUJDZEVFZNX-FQEVSTJZSA-N 1 0 342.442 4.254 20 5 EIBDRO C[C@@H](CSC(C)(C)C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000808729151 1048093473 /nfs/dbraw/zinc/09/34/73/1048093473.db2.gz VALBQXGTJFCJCB-LBPRGKRZSA-N 1 0 335.473 4.128 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC001171097187 1048163185 /nfs/dbraw/zinc/16/31/85/1048163185.db2.gz DHBSVKGAFSQLAK-UHFFFAOYSA-N 1 0 346.377 4.328 20 5 EIBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815587301 1048525952 /nfs/dbraw/zinc/52/59/52/1048525952.db2.gz GITDADVTFNRVNR-LOWVWBTDSA-N 1 0 345.365 4.196 20 5 EIBDRO CCOc1cc(Cl)ccc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815598417 1048529722 /nfs/dbraw/zinc/52/97/22/1048529722.db2.gz URKYGRWMAMASQG-NSHDSACASA-N 1 0 349.818 4.080 20 5 EIBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CCC2 ZINC000815629141 1048554838 /nfs/dbraw/zinc/55/48/38/1048554838.db2.gz VICVWHUPLDNDNA-SCLBCKFNSA-N 1 0 325.412 4.214 20 5 EIBDRO CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000810043205 1048607258 /nfs/dbraw/zinc/60/72/58/1048607258.db2.gz HUICQTQBHPKYKK-CQSZACIVSA-N 1 0 326.824 4.028 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)o1 ZINC000846108854 1048814488 /nfs/dbraw/zinc/81/44/88/1048814488.db2.gz RYFBXHQZBLOMEE-QGZVFWFLSA-N 1 0 348.349 4.476 20 5 EIBDRO CC(C)[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccsc1 ZINC000817287208 1048925612 /nfs/dbraw/zinc/92/56/12/1048925612.db2.gz LFQJWKXIADKCJD-GUYCJALGSA-N 1 0 334.441 4.161 20 5 EIBDRO CC(C)[N@H+](CCOc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350416 1049053186 /nfs/dbraw/zinc/05/31/86/1049053186.db2.gz BOCXIECWMWUUIW-UHFFFAOYSA-N 1 0 332.375 4.023 20 5 EIBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000609432103 1049062729 /nfs/dbraw/zinc/06/27/29/1049062729.db2.gz CJUHQCUFDFGFLF-HNNXBMFYSA-N 1 0 328.412 4.057 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCCC(F)(F)F ZINC000811481822 1049077444 /nfs/dbraw/zinc/07/74/44/1049077444.db2.gz NRZUPEUJJQHKAH-UHFFFAOYSA-N 1 0 331.121 4.334 20 5 EIBDRO CCOCCC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000811484782 1049081798 /nfs/dbraw/zinc/08/17/98/1049081798.db2.gz KOCJTRSQYLOEMO-UHFFFAOYSA-N 1 0 347.242 4.198 20 5 EIBDRO C[C@@H]1C[C@H](CC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000811488799 1049085358 /nfs/dbraw/zinc/08/53/58/1049085358.db2.gz LQGLUKMTYAYWQV-GHMZBOCLSA-N 1 0 347.242 4.196 20 5 EIBDRO Cc1ccc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])o1 ZINC000811474150 1049092777 /nfs/dbraw/zinc/09/27/77/1049092777.db2.gz VMHOLBJVZMPWSD-UHFFFAOYSA-N 1 0 329.183 4.135 20 5 EIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCOC(C)(C)C1 ZINC000811511172 1049124554 /nfs/dbraw/zinc/12/45/54/1049124554.db2.gz DTFUIHZDUDHIAX-ZDUSSCGKSA-N 1 0 326.824 4.028 20 5 EIBDRO Cc1c(C[N@H+](CCc2ccc(F)cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000609744368 1049297484 /nfs/dbraw/zinc/29/74/84/1049297484.db2.gz FTZUUEYNCSHOBG-UHFFFAOYSA-N 1 0 328.387 4.249 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000609800735 1049327201 /nfs/dbraw/zinc/32/72/01/1049327201.db2.gz RFBZKFAYRVANDB-RDTXWAMCSA-N 1 0 328.437 4.446 20 5 EIBDRO C[N@H+](CCc1cccc(Br)c1)Cc1cccc([N+](=O)[O-])c1 ZINC001170662233 1049366794 /nfs/dbraw/zinc/36/67/94/1049366794.db2.gz XQIFQYQJAHDXKQ-UHFFFAOYSA-N 1 0 349.228 4.032 20 5 EIBDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000610001878 1049466784 /nfs/dbraw/zinc/46/67/84/1049466784.db2.gz JKFCKLTXDCFMEE-HUUCEWRRSA-N 1 0 328.387 4.420 20 5 EIBDRO CCCC(O)(CCC)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000610009938 1049479613 /nfs/dbraw/zinc/47/96/13/1049479613.db2.gz GPVGXEQSVDQIQU-UHFFFAOYSA-N 1 0 346.427 4.276 20 5 EIBDRO O=[N+]([O-])c1cc2c(cc1NCc1cccc3sccc31)C[NH2+]C2 ZINC001171377511 1049563343 /nfs/dbraw/zinc/56/33/43/1049563343.db2.gz OTEWOLPFHSOKBX-UHFFFAOYSA-N 1 0 325.393 4.025 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000773112793 1049591485 /nfs/dbraw/zinc/59/14/85/1049591485.db2.gz AKKWOYGFGKZIGE-MOPGFXCFSA-N 1 0 346.402 4.072 20 5 EIBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812850818 1049611542 /nfs/dbraw/zinc/61/15/42/1049611542.db2.gz VTCZMWPHNPFREY-FZKQIMNGSA-N 1 0 348.830 4.192 20 5 EIBDRO CC(C)([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000813792352 1049817858 /nfs/dbraw/zinc/81/78/58/1049817858.db2.gz XAWWEGDUKFWRMM-VQHVLOKHSA-N 1 0 341.367 4.041 20 5 EIBDRO [NH3+]Cc1cn([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c2ccccc12 ZINC001172897008 1050201049 /nfs/dbraw/zinc/20/10/49/1050201049.db2.gz WDORZOKVZUHZNS-QGZVFWFLSA-N 1 0 335.407 4.128 20 5 EIBDRO Cn1ccc2cc(C[NH2+][C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)ccc21 ZINC001172897205 1050201545 /nfs/dbraw/zinc/20/15/45/1050201545.db2.gz XYQOOGOXANYRDN-LJQANCHMSA-N 1 0 349.434 4.124 20 5 EIBDRO Cc1ccc(F)c(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1F ZINC001172899249 1050203022 /nfs/dbraw/zinc/20/30/22/1050203022.db2.gz NFBXRVIJDYIPMM-OAHLLOKOSA-N 1 0 346.377 4.219 20 5 EIBDRO CCOc1ccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1 ZINC001172898929 1050203410 /nfs/dbraw/zinc/20/34/10/1050203410.db2.gz JRFPHJJCTBCDPX-SFHVURJKSA-N 1 0 340.423 4.031 20 5 EIBDRO CC[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ncccc1C ZINC001172898186 1050203461 /nfs/dbraw/zinc/20/34/61/1050203461.db2.gz HLVAKFUJVLHQAY-HKUYNNGSSA-N 1 0 339.439 4.287 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCc1ccc(Cl)cc1)CC2 ZINC001172897652 1050203592 /nfs/dbraw/zinc/20/35/92/1050203592.db2.gz BYPIXNNQCNGATQ-SFHVURJKSA-N 1 0 344.842 4.328 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cc(F)ccc1F ZINC001172902644 1050204669 /nfs/dbraw/zinc/20/46/69/1050204669.db2.gz AZVSSBPRDPMHSB-BLLLJJGKSA-N 1 0 346.377 4.471 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1nccc3ccccc31)CC2 ZINC001172901860 1050204745 /nfs/dbraw/zinc/20/47/45/1050204745.db2.gz QJAZRHLKEWEZMN-SFHVURJKSA-N 1 0 347.418 4.180 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1sccc1Cl)CC2 ZINC001172901486 1050204982 /nfs/dbraw/zinc/20/49/82/1050204982.db2.gz ITNBWQWEYCZDDL-CYBMUJFWSA-N 1 0 336.844 4.347 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CCc3ccccc31)CC2 ZINC001172906821 1050206483 /nfs/dbraw/zinc/20/64/83/1050206483.db2.gz OXVHSVQTHXWCLJ-MOPGFXCFSA-N 1 0 336.435 4.162 20 5 EIBDRO Cn1cc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c2ccccc21 ZINC001172895913 1050231712 /nfs/dbraw/zinc/23/17/12/1050231712.db2.gz JHAPXOXRACBTSM-GOSISDBHSA-N 1 0 349.434 4.124 20 5 EIBDRO CC[N@H+](Cc1cccs1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922173 1050236594 /nfs/dbraw/zinc/23/65/94/1050236594.db2.gz WSCRKBITNFWQOP-INIZCTEOSA-N 1 0 330.453 4.426 20 5 EIBDRO C[N@H+](Cc1ccc(F)cc1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910385 1050246515 /nfs/dbraw/zinc/24/65/15/1050246515.db2.gz YNPAEADJMSQPFO-SFHVURJKSA-N 1 0 328.387 4.113 20 5 EIBDRO CCc1ccc(C[NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])cc1 ZINC001173176283 1050334705 /nfs/dbraw/zinc/33/47/05/1050334705.db2.gz HIPVQSMVJQVGJS-CYBMUJFWSA-N 1 0 346.402 4.026 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C)CCC(C)C)c1F ZINC001173188547 1050337789 /nfs/dbraw/zinc/33/77/89/1050337789.db2.gz KUZJTHTZOHOOAN-OLZOCXBDSA-N 1 0 326.412 4.088 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2CCCCCC2)c1F ZINC001173191276 1050338112 /nfs/dbraw/zinc/33/81/12/1050338112.db2.gz LAFWOUFXRFKVBP-ZDUSSCGKSA-N 1 0 338.423 4.234 20 5 EIBDRO CCCCC[C@H](C)[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173182039 1050338159 /nfs/dbraw/zinc/33/81/59/1050338159.db2.gz YRLMGXPUTMUSGZ-STQMWFEESA-N 1 0 326.412 4.232 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@H]2c2ccccc2)c1F ZINC001173196514 1050340958 /nfs/dbraw/zinc/34/09/58/1050340958.db2.gz NEFRFKAKRQPRGC-CJNGLKHVSA-N 1 0 344.386 4.121 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2ccc(Cl)cc2C1 ZINC001173218021 1050349800 /nfs/dbraw/zinc/34/98/00/1050349800.db2.gz IQDOJVOAYTZRIN-ACJLOTCBSA-N 1 0 344.842 4.326 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(Cc2ccccc2F)CCC1 ZINC001173220544 1050352676 /nfs/dbraw/zinc/35/26/76/1050352676.db2.gz CVVMMWYNBDWATB-OAHLLOKOSA-N 1 0 342.414 4.420 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001173218346 1050352822 /nfs/dbraw/zinc/35/28/22/1050352822.db2.gz AJEMGPZSPHFPPC-GTNSWQLSSA-N 1 0 332.350 4.081 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001173219676 1050352960 /nfs/dbraw/zinc/35/29/60/1050352960.db2.gz PFPUBOAFBJGYOF-UGSOOPFHSA-N 1 0 344.842 4.326 20 5 EIBDRO COc1cc([C@H](C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)ccc1F ZINC001173220336 1050353017 /nfs/dbraw/zinc/35/30/17/1050353017.db2.gz YMMMGVTWXIPEKL-STQMWFEESA-N 1 0 332.375 4.024 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC001173223612 1050354255 /nfs/dbraw/zinc/35/42/55/1050354255.db2.gz JCWMFUXYRMEKFL-BFUOFWGJSA-N 1 0 328.387 4.332 20 5 EIBDRO CCC1([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCC(F)(F)CC1 ZINC001173224109 1050354321 /nfs/dbraw/zinc/35/43/21/1050354321.db2.gz MAHBSBXLMHHBDI-CYBMUJFWSA-N 1 0 326.387 4.474 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC001173223614 1050354990 /nfs/dbraw/zinc/35/49/90/1050354990.db2.gz JCWMFUXYRMEKFL-ORAYPTAESA-N 1 0 328.387 4.332 20 5 EIBDRO Cc1ccc2cccc(C[NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)c2n1 ZINC001173229387 1050358183 /nfs/dbraw/zinc/35/81/83/1050358183.db2.gz TXNMRJBCAYAPRX-OAHLLOKOSA-N 1 0 335.407 4.172 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001173231774 1050359394 /nfs/dbraw/zinc/35/93/94/1050359394.db2.gz CZQSFLRGAXKIFT-RHSMWYFYSA-N 1 0 328.387 4.154 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001173231625 1050359780 /nfs/dbraw/zinc/35/97/80/1050359780.db2.gz BKFYAQBUKUVQCR-OCBCSQNSSA-N 1 0 330.815 4.325 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)c1cc(Cl)ccn1 ZINC001173231138 1050360177 /nfs/dbraw/zinc/36/01/77/1050360177.db2.gz XVQLIADUPDZDPA-LBPRGKRZSA-N 1 0 333.819 4.099 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCSc2ccccc2C1 ZINC001173230810 1050360293 /nfs/dbraw/zinc/36/02/93/1050360293.db2.gz GROYWKKNEURFRC-AWEZNQCLSA-N 1 0 328.437 4.134 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001173231747 1050360772 /nfs/dbraw/zinc/36/07/72/1050360772.db2.gz CWUNUTPISLMGRX-RHSMWYFYSA-N 1 0 328.387 4.154 20 5 EIBDRO COc1cccc([C@H]2CCC[N@@H+]2[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173234799 1050362418 /nfs/dbraw/zinc/36/24/18/1050362418.db2.gz UEQFQWHXKYFOEF-MGPUTAFESA-N 1 0 340.423 4.372 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001178326488 1050446693 /nfs/dbraw/zinc/44/66/93/1050446693.db2.gz LDSZZTSJOYPMBN-UHFFFAOYSA-N 1 0 330.815 4.458 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(OC)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001178366085 1050453721 /nfs/dbraw/zinc/45/37/21/1050453721.db2.gz ZGFYHTCIIBMBKE-KRWDZBQOSA-N 1 0 334.803 4.498 20 5 EIBDRO CCC[N@H+](CCc1cccs1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000775069276 1050461181 /nfs/dbraw/zinc/46/11/81/1050461181.db2.gz OQYNPEIMXMGYBM-UHFFFAOYSA-N 1 0 349.412 4.019 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccc3cnccc3c2)cc1 ZINC000618725761 1050488680 /nfs/dbraw/zinc/48/86/80/1050488680.db2.gz AWRBYYJPMINQPA-UHFFFAOYSA-N 1 0 335.407 4.256 20 5 EIBDRO Cc1c(C[NH2+]C2(Cc3cccc(F)c3)CCC2)cccc1[N+](=O)[O-] ZINC001178532093 1050492990 /nfs/dbraw/zinc/49/29/90/1050492990.db2.gz JTICVWHOQBBWCK-UHFFFAOYSA-N 1 0 328.387 4.297 20 5 EIBDRO CC(C)(O)C(C)(C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001178717697 1050539646 /nfs/dbraw/zinc/53/96/46/1050539646.db2.gz YYRPJNLCYWVZRK-UHFFFAOYSA-N 1 0 348.468 4.210 20 5 EIBDRO CCC[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)OC ZINC001178791001 1050556033 /nfs/dbraw/zinc/55/60/33/1050556033.db2.gz LLIZIJLLKDGQIS-HNNXBMFYSA-N 1 0 334.441 4.228 20 5 EIBDRO C[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000618984987 1050610800 /nfs/dbraw/zinc/61/08/00/1050610800.db2.gz VVFOLPNEHLNDKN-FZKQIMNGSA-N 1 0 325.412 4.106 20 5 EIBDRO CC(C)c1ccc(C[NH2+]CC(C)(C)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC001179366094 1050684196 /nfs/dbraw/zinc/68/41/96/1050684196.db2.gz QQJDRPCPUNLSRR-GOSISDBHSA-N 1 0 334.460 4.403 20 5 EIBDRO C[C@@H](C[NH2+]Cc1cccc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC001179685243 1050747169 /nfs/dbraw/zinc/74/71/69/1050747169.db2.gz IADAJXCKDDIYTJ-LBPRGKRZSA-N 1 0 349.228 4.251 20 5 EIBDRO CC(C)c1ccc(C[NH2+]CC[C@H]2CCC(C)(C)CO2)cc1[N+](=O)[O-] ZINC001179685536 1050747844 /nfs/dbraw/zinc/74/78/44/1050747844.db2.gz NEYWFYKGHWGERT-MRXNPFEDSA-N 1 0 334.460 4.403 20 5 EIBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCCC1 ZINC000182689109 1050791679 /nfs/dbraw/zinc/79/16/79/1050791679.db2.gz QZFUADLTVGAVLW-AWEZNQCLSA-N 1 0 343.427 4.351 20 5 EIBDRO CS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001180071810 1050873439 /nfs/dbraw/zinc/87/34/39/1050873439.db2.gz IBFDUNNFCUQSNL-STQMWFEESA-N 1 0 348.390 4.330 20 5 EIBDRO CCC(CC)[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000775212302 1050880071 /nfs/dbraw/zinc/88/00/71/1050880071.db2.gz NWIQTFOMFDIQGW-SJLPKXTDSA-N 1 0 348.468 4.457 20 5 EIBDRO COc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)c1 ZINC001180178380 1050895396 /nfs/dbraw/zinc/89/53/96/1050895396.db2.gz WIGJMQKYTYFDIA-UHFFFAOYSA-N 1 0 328.412 4.322 20 5 EIBDRO CC(C)C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000170908984 1050937733 /nfs/dbraw/zinc/93/77/33/1050937733.db2.gz DQEHXUMCAORSEH-UHFFFAOYSA-N 1 0 331.416 4.159 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000183245344 1051039664 /nfs/dbraw/zinc/03/96/64/1051039664.db2.gz JAAUAOUBXVYYQQ-UHFFFAOYSA-N 1 0 340.423 4.084 20 5 EIBDRO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1C)CCC2 ZINC000183343943 1051096421 /nfs/dbraw/zinc/09/64/21/1051096421.db2.gz FAVBUJIQDVZNGR-INIZCTEOSA-N 1 0 331.441 4.178 20 5 EIBDRO Nc1ccc2cc3ccc(NC4=CCC5(CC4)OCCO5)cc3[nH+]c2c1 ZINC001174643393 1051097504 /nfs/dbraw/zinc/09/75/04/1051097504.db2.gz IPSADWMVXKFESS-UHFFFAOYSA-N 1 0 347.418 4.193 20 5 EIBDRO C[C@H](CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC001180906013 1051105471 /nfs/dbraw/zinc/10/54/71/1051105471.db2.gz IPZKMZKHAXEDDI-CABCVRRESA-N 1 0 349.475 4.364 20 5 EIBDRO Cc1cc(Nc2cc3[nH+]c4cc(N)c(C)cc4cc3cc2C)n(C)n1 ZINC001174831642 1051191546 /nfs/dbraw/zinc/19/15/46/1051191546.db2.gz XVHCTIVOEGWYSP-UHFFFAOYSA-N 1 0 331.423 4.373 20 5 EIBDRO Cc1ccccc1[C@H](C)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC001175035359 1051328262 /nfs/dbraw/zinc/32/82/62/1051328262.db2.gz GHZGQGLKJLUFNE-INIZCTEOSA-N 1 0 328.412 4.365 20 5 EIBDRO CC(C)([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CCC1 ZINC001181891519 1051342670 /nfs/dbraw/zinc/34/26/70/1051342670.db2.gz ARKJMAGDLARAGF-UHFFFAOYSA-N 1 0 333.251 4.087 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC001191156997 1051366052 /nfs/dbraw/zinc/36/60/52/1051366052.db2.gz PQSFKFDYWGRJAV-HOTGVXAUSA-N 1 0 340.423 4.290 20 5 EIBDRO Cc1ccc(C[N@H+](CCOc2ccccc2[N+](=O)[O-])C2CC2)cc1C ZINC001191164800 1051371812 /nfs/dbraw/zinc/37/18/12/1051371812.db2.gz MBANYQYJKDBEBZ-UHFFFAOYSA-N 1 0 340.423 4.255 20 5 EIBDRO COc1cccc(C2(C[NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC001182142270 1051404393 /nfs/dbraw/zinc/40/43/93/1051404393.db2.gz YPYMHYRAGLOAOS-UHFFFAOYSA-N 1 0 346.814 4.078 20 5 EIBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001203370404 1051425409 /nfs/dbraw/zinc/42/54/09/1051425409.db2.gz ZLJBDWADZDFRTG-SJBDTSRBSA-N 1 0 346.452 4.225 20 5 EIBDRO CCN(C)c1ccccc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774172377 1051492744 /nfs/dbraw/zinc/49/27/44/1051492744.db2.gz BPEWDQNQMSUIJY-LJQANCHMSA-N 1 0 339.439 4.218 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](c2ccccc2)C2CCCC2)cc1 ZINC000774407573 1051581706 /nfs/dbraw/zinc/58/17/06/1051581706.db2.gz BBFOFQVNPYNBLG-VQTJNVASSA-N 1 0 340.423 4.149 20 5 EIBDRO CC(C)[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000774408379 1051581793 /nfs/dbraw/zinc/58/17/93/1051581793.db2.gz INKHBKMJMVKXNM-ZWKOTPCHSA-N 1 0 348.830 4.269 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@]1(F)c1ccccc1 ZINC001182498761 1051619965 /nfs/dbraw/zinc/61/99/65/1051619965.db2.gz LKEUMSQPIPNGQZ-MDASCCDHSA-N 1 0 328.387 4.143 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@]1(F)c1ccccc1 ZINC001182498765 1051620527 /nfs/dbraw/zinc/62/05/27/1051620527.db2.gz LKEUMSQPIPNGQZ-ZMYBRWDISA-N 1 0 328.387 4.143 20 5 EIBDRO Cc1cc(N2CCC(C[N@@H+](C)C(C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000774517517 1051643630 /nfs/dbraw/zinc/64/36/30/1051643630.db2.gz GYVDCKQTZZUBJW-UHFFFAOYSA-N 1 0 339.867 4.113 20 5 EIBDRO COc1ccc([C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC001192871042 1051819115 /nfs/dbraw/zinc/81/91/15/1051819115.db2.gz YBMYKKCYKRRDPX-IBGZPJMESA-N 1 0 328.412 4.133 20 5 EIBDRO C[C@H]([NH2+]C1CCC2(COC(C)(C)C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001183788221 1051898820 /nfs/dbraw/zinc/89/88/20/1051898820.db2.gz JBEMZGITZPZCMR-ASFAAARLSA-N 1 0 332.444 4.373 20 5 EIBDRO C[C@@H](C[NH2+]CCc1ccc(F)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC001184046480 1051946912 /nfs/dbraw/zinc/94/69/12/1051946912.db2.gz WBHBIZORWKWGRX-LBPRGKRZSA-N 1 0 336.794 4.323 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C(C)(C)O1 ZINC001193648968 1051965842 /nfs/dbraw/zinc/96/58/42/1051965842.db2.gz KBPMLMWUJHQBMQ-GFCCVEGCSA-N 1 0 347.242 4.337 20 5 EIBDRO C[NH+](C)Cc1ccc(Nc2c(N)c3cccnc3c3ncccc32)cc1 ZINC001176291195 1051979151 /nfs/dbraw/zinc/97/91/51/1051979151.db2.gz BGMKHRJNTFQPDV-UHFFFAOYSA-N 1 0 343.434 4.170 20 5 EIBDRO C[C@@H]1C[C@H](C)CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001176252134 1051983984 /nfs/dbraw/zinc/98/39/84/1051983984.db2.gz CEZBWMUSBRHLHU-VXGBXAGGSA-N 1 0 341.249 4.225 20 5 EIBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCCCC1 ZINC001184536161 1052027663 /nfs/dbraw/zinc/02/76/63/1052027663.db2.gz LXUQCEHAHVGQET-UHFFFAOYSA-N 1 0 345.365 4.290 20 5 EIBDRO Cc1ccc([C@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)c(C)c1 ZINC001194074096 1052070236 /nfs/dbraw/zinc/07/02/36/1052070236.db2.gz PUEHIRSEPFXVRU-KRWDZBQOSA-N 1 0 340.423 4.080 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)c(NCCC[NH+]2CCCCC2)c(Cl)c1 ZINC001184651476 1052072509 /nfs/dbraw/zinc/07/25/09/1052072509.db2.gz ZERVJKIEYXGYKI-UHFFFAOYSA-N 1 0 332.231 4.190 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)C2)cc1 ZINC001194478692 1052158826 /nfs/dbraw/zinc/15/88/26/1052158826.db2.gz WTNVXUKVCLQXCT-QIJZBDPFSA-N 1 0 336.382 4.066 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000774816478 1052160830 /nfs/dbraw/zinc/16/08/30/1052160830.db2.gz YQOLUSUASQDLAG-MRXNPFEDSA-N 1 0 334.803 4.498 20 5 EIBDRO Cc1ccc([C@@H](CNc2ccc(F)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC001185116856 1052179340 /nfs/dbraw/zinc/17/93/40/1052179340.db2.gz MSHIXAUEJKPGMT-LJQANCHMSA-N 1 0 343.402 4.291 20 5 EIBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001185701605 1052284764 /nfs/dbraw/zinc/28/47/64/1052284764.db2.gz LDLNOWDMHJNPGM-INIZCTEOSA-N 1 0 331.460 4.076 20 5 EIBDRO Cc1c(CNc2ccc(C[NH+](C)C)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000864027688 1053161563 /nfs/dbraw/zinc/16/15/63/1053161563.db2.gz OSNKXPMSALSCOW-UHFFFAOYSA-N 1 0 333.819 4.230 20 5 EIBDRO COc1ccc(C)cc1[C@@H](C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC001194974013 1053211659 /nfs/dbraw/zinc/21/16/59/1053211659.db2.gz ACCPKKSWQVBFQY-OAHLLOKOSA-N 1 0 344.411 4.032 20 5 EIBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000794685298 1053262591 /nfs/dbraw/zinc/26/25/91/1053262591.db2.gz ORGTVIQCPCSIRN-AWEZNQCLSA-N 1 0 343.383 4.475 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCSC3(CCC3)CC2)c1 ZINC001195138156 1053288470 /nfs/dbraw/zinc/28/84/70/1053288470.db2.gz WDLUPXYMDKCASX-UHFFFAOYSA-N 1 0 326.849 4.110 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](O)c1cc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000120151094 1053327357 /nfs/dbraw/zinc/32/73/57/1053327357.db2.gz OXWMQCTUNUZJIA-WBMJQRKESA-N 1 0 342.420 4.194 20 5 EIBDRO CC1(C)C[C@@H](c2ccccc2)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001195376237 1053392032 /nfs/dbraw/zinc/39/20/32/1053392032.db2.gz HPBLWFZORYCZAJ-SFHVURJKSA-N 1 0 340.423 4.447 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)[C@@H](O)c1ccccc1 ZINC000794830227 1053442083 /nfs/dbraw/zinc/44/20/83/1053442083.db2.gz IMYDNQGCBSYBBH-XPGWFJOJSA-N 1 0 342.439 4.456 20 5 EIBDRO COc1cccc(C2([NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000552087402 1053451626 /nfs/dbraw/zinc/45/16/26/1053451626.db2.gz GZQGWOPLOGWIIN-CQSZACIVSA-N 1 0 326.396 4.252 20 5 EIBDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120489068 1053476157 /nfs/dbraw/zinc/47/61/57/1053476157.db2.gz HURXIQZZWNRVFH-SJORKVTESA-N 1 0 334.803 4.023 20 5 EIBDRO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000776585869 1053568517 /nfs/dbraw/zinc/56/85/17/1053568517.db2.gz BMMIOFRYYJYMTG-PMACEKPBSA-N 1 0 340.423 4.082 20 5 EIBDRO CC(C)c1ccc(C(C)(C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776592377 1053573430 /nfs/dbraw/zinc/57/34/30/1053573430.db2.gz MYOXPWBJQIVJHC-LJQANCHMSA-N 1 0 342.439 4.277 20 5 EIBDRO Cc1ccccc1[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000776606541 1053595712 /nfs/dbraw/zinc/59/57/12/1053595712.db2.gz XYCPYACVQTWVLB-RBUKOAKNSA-N 1 0 342.439 4.314 20 5 EIBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2CC2CCC2)c([N+](=O)[O-])cc1F ZINC001196328887 1053640160 /nfs/dbraw/zinc/64/01/60/1053640160.db2.gz JITDNXNTTYVIOT-OAHLLOKOSA-N 1 0 336.407 4.287 20 5 EIBDRO Cc1c([C@H](C)[NH2+]CCSCCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000866543050 1053777614 /nfs/dbraw/zinc/77/76/14/1053777614.db2.gz KYJHOEUDGFZCBE-NSHDSACASA-N 1 0 336.379 4.239 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2cc3cnccc3o2)cccc1[N+](=O)[O-] ZINC000866619463 1053808829 /nfs/dbraw/zinc/80/88/29/1053808829.db2.gz GIGMKWVCHPXVIU-STQMWFEESA-N 1 0 325.368 4.456 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2cc3cnccc3o2)cccc1[N+](=O)[O-] ZINC000866619455 1053809076 /nfs/dbraw/zinc/80/90/76/1053809076.db2.gz GIGMKWVCHPXVIU-CHWSQXEVSA-N 1 0 325.368 4.456 20 5 EIBDRO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000775765766 1053869210 /nfs/dbraw/zinc/86/92/10/1053869210.db2.gz RDAIAHVFLYXNIA-UHFFFAOYSA-N 1 0 348.830 4.021 20 5 EIBDRO O=C1CCCN1CCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000017310009 1053953237 /nfs/dbraw/zinc/95/32/37/1053953237.db2.gz PMTWRJDKUDCKBO-UHFFFAOYSA-N 1 0 332.447 4.095 20 5 EIBDRO CCCC(=O)Nc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173325860 1054029818 /nfs/dbraw/zinc/02/98/18/1054029818.db2.gz RQKAEVOILVTJLW-CQSZACIVSA-N 1 0 341.411 4.184 20 5 EIBDRO Cc1csc(C[C@@H]2CC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC001198084062 1054067786 /nfs/dbraw/zinc/06/77/86/1054067786.db2.gz FRFUFICSFDMOJA-CABCVRRESA-N 1 0 345.468 4.294 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)nc1 ZINC000871934945 1054325942 /nfs/dbraw/zinc/32/59/42/1054325942.db2.gz ONPVHWCTCVTZAL-WDEREUQCSA-N 1 0 339.317 4.420 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)Cc1c(C)noc1C ZINC000872039323 1054352705 /nfs/dbraw/zinc/35/27/05/1054352705.db2.gz SKJAADGVIXMYRC-WDEREUQCSA-N 1 0 349.456 4.203 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCc1c(C)noc1C ZINC000872043030 1054356307 /nfs/dbraw/zinc/35/63/07/1054356307.db2.gz VGUVRDCHNAQVCD-LLVKDONJSA-N 1 0 349.456 4.205 20 5 EIBDRO C[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043812 1054356794 /nfs/dbraw/zinc/35/67/94/1054356794.db2.gz MIMFJXQXHRLGCA-OHNRDTAOSA-N 1 0 344.386 4.162 20 5 EIBDRO CC(C)c1ccc(C[NH2+]C[C@@H](C)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC001199295593 1054381763 /nfs/dbraw/zinc/38/17/63/1054381763.db2.gz KJPQWRJEEUWTRV-JKSUJKDBSA-N 1 0 333.476 4.071 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)cc1Cl ZINC000872259354 1054427008 /nfs/dbraw/zinc/42/70/08/1054427008.db2.gz UFVHDNFZGCSUIY-HNNXBMFYSA-N 1 0 338.835 4.172 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872260390 1054427958 /nfs/dbraw/zinc/42/79/58/1054427958.db2.gz OZLMWEJKQVUONL-UKTKYZJWSA-N 1 0 330.428 4.032 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](c2ccccn2)C2CCC2)ccc1Cl ZINC000858238609 1054445180 /nfs/dbraw/zinc/44/51/80/1054445180.db2.gz WUQDCBYTUNVFNV-QGZVFWFLSA-N 1 0 331.803 4.274 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccns1 ZINC000858578855 1054524225 /nfs/dbraw/zinc/52/42/25/1054524225.db2.gz XWMOWRQZKCIMQR-NEPJUHHUSA-N 1 0 337.470 4.273 20 5 EIBDRO Cc1cccc2oc(CC[NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)nc21 ZINC000776220656 1054935787 /nfs/dbraw/zinc/93/57/87/1054935787.db2.gz YGEUVEZHRKBFLU-UHFFFAOYSA-N 1 0 345.786 4.030 20 5 EIBDRO CCc1ccc2c(c1)[C@H]([NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)CCO2 ZINC001201920457 1054950842 /nfs/dbraw/zinc/95/08/42/1054950842.db2.gz SUEZPFPZNXTYPM-GOSISDBHSA-N 1 0 340.423 4.387 20 5 EIBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1csc2ccccc12 ZINC000877008206 1054997448 /nfs/dbraw/zinc/99/74/48/1054997448.db2.gz HKNMYWQVYHOVQY-HIFPTAJRSA-N 1 0 342.424 4.060 20 5 EIBDRO Cc1csc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000877815007 1055127562 /nfs/dbraw/zinc/12/75/62/1055127562.db2.gz ZQGNKTJERFPHND-GFCCVEGCSA-N 1 0 337.832 4.003 20 5 EIBDRO CC(C)[N@@H+](Cc1cccc(Cl)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273768 1055139876 /nfs/dbraw/zinc/13/98/76/1055139876.db2.gz AFWDALSJDZILHA-GOSISDBHSA-N 1 0 348.830 4.192 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2c2ccccc2Cl)cc1 ZINC000776278263 1055150935 /nfs/dbraw/zinc/15/09/35/1055150935.db2.gz SRINXRXKZPNFEH-ZWKOTPCHSA-N 1 0 346.814 4.119 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCCC[C@H]2c2ccccc2)cc1 ZINC000776279753 1055154122 /nfs/dbraw/zinc/15/41/22/1055154122.db2.gz YUOPUQMZTAEIDG-PMACEKPBSA-N 1 0 340.423 4.246 20 5 EIBDRO CO[C@H]([C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC001202408862 1055159540 /nfs/dbraw/zinc/15/95/40/1055159540.db2.gz SZJJYMQALXMMHN-KPZWWZAWSA-N 1 0 346.452 4.226 20 5 EIBDRO COC[C@H](O)CC[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC000765790965 1055309950 /nfs/dbraw/zinc/30/99/50/1055309950.db2.gz ORKGOGWKGUHUFN-CQSZACIVSA-N 1 0 343.854 4.133 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1cc(F)cc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000090972007 1055439494 /nfs/dbraw/zinc/43/94/94/1055439494.db2.gz RBPHFEJGPOTHID-GOSISDBHSA-N 1 0 332.375 4.374 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000765815486 1055493025 /nfs/dbraw/zinc/49/30/25/1055493025.db2.gz JUKPHZGHIROUIT-SCLBCKFNSA-N 1 0 348.830 4.115 20 5 EIBDRO CC[C@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000765819014 1055567431 /nfs/dbraw/zinc/56/74/31/1055567431.db2.gz TXDXOYCCBNMGDV-ZWKOTPCHSA-N 1 0 348.830 4.197 20 5 EIBDRO CC(C)c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000765846244 1055853909 /nfs/dbraw/zinc/85/39/09/1055853909.db2.gz WUIWYRQXCGWCNE-LIRRHRJNSA-N 1 0 328.412 4.102 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273464583 1055856753 /nfs/dbraw/zinc/85/67/53/1055856753.db2.gz IGYSAZTWESMPEO-IEBWSBKVSA-N 1 0 344.386 4.052 20 5 EIBDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000765848133 1055873180 /nfs/dbraw/zinc/87/31/80/1055873180.db2.gz FTMSOXPXUDZNIH-OLZOCXBDSA-N 1 0 340.832 4.084 20 5 EIBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000273511905 1055890693 /nfs/dbraw/zinc/89/06/93/1055890693.db2.gz OQEXYSIXBVLSAU-STQMWFEESA-N 1 0 340.832 4.084 20 5 EIBDRO CCN(C)c1ccccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000765849729 1055914550 /nfs/dbraw/zinc/91/45/50/1055914550.db2.gz PGBZJRFNGCNKIH-HNNXBMFYSA-N 1 0 327.428 4.210 20 5 EIBDRO CSc1ccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000462759798 1056303236 /nfs/dbraw/zinc/30/32/36/1056303236.db2.gz IIGPHWOUECCCLU-UHFFFAOYSA-N 1 0 330.453 4.429 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cnc3ccccc3c2)cc1 ZINC000742374647 1058598097 /nfs/dbraw/zinc/59/80/97/1058598097.db2.gz BEUOIMXGXSFZNP-UHFFFAOYSA-N 1 0 335.407 4.256 20 5 EIBDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000743463867 1059017842 /nfs/dbraw/zinc/01/78/42/1059017842.db2.gz YADKRPHFFCCZDY-SJORKVTESA-N 1 0 334.803 4.023 20 5 EIBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(C)(C)C)cc1 ZINC000743462829 1059019123 /nfs/dbraw/zinc/01/91/23/1059019123.db2.gz BAAHWXBYEBZXII-IFXJQAMLSA-N 1 0 342.439 4.277 20 5 EIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000743859982 1059169937 /nfs/dbraw/zinc/16/99/37/1059169937.db2.gz NAULGHJZQVZVJN-AWEZNQCLSA-N 1 0 346.427 4.348 20 5 EIBDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000746047728 1059978723 /nfs/dbraw/zinc/97/87/23/1059978723.db2.gz QQYHHJRQDFNWMV-IAGOWNOFSA-N 1 0 334.803 4.023 20 5 EIBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000746047727 1059982356 /nfs/dbraw/zinc/98/23/56/1059982356.db2.gz QQYHHJRQDFNWMV-DLBZAZTESA-N 1 0 334.803 4.023 20 5 EIBDRO CC(C)C[N@@H+](Cc1ccccc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000746061850 1059988696 /nfs/dbraw/zinc/98/86/96/1059988696.db2.gz LFFHNIVJHSNYJR-UHFFFAOYSA-N 1 0 338.411 4.060 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001168966852 1060559207 /nfs/dbraw/zinc/55/92/07/1060559207.db2.gz LRWAVRWOUUYVEN-KBXCAEBGSA-N 1 0 328.387 4.028 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001168993358 1060567412 /nfs/dbraw/zinc/56/74/12/1060567412.db2.gz MWSOCLHHIWVLPD-BEFAXECRSA-N 1 0 328.387 4.028 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(SC(F)(F)F)cc1 ZINC001169001233 1060570682 /nfs/dbraw/zinc/57/06/82/1060570682.db2.gz DVTOVZFGNDPUGG-NQBHXWOUSA-N 1 0 348.390 4.395 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+](CCc2ccccc2)Cc2ccccc2)C1 ZINC001169039300 1060596242 /nfs/dbraw/zinc/59/62/42/1060596242.db2.gz PKYPRGWLLIOVFM-LEWJYISDSA-N 1 0 338.451 4.177 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC001169057109 1060613704 /nfs/dbraw/zinc/61/37/04/1060613704.db2.gz UWFKAZCZFNCUJF-APHBMKBZSA-N 1 0 342.361 4.288 20 5 EIBDRO CCOc1cc(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)ccc1[N+](=O)[O-] ZINC001169689102 1060900990 /nfs/dbraw/zinc/90/09/90/1060900990.db2.gz ACFKKPSXVOWZAP-MRXNPFEDSA-N 1 0 341.411 4.234 20 5 EIBDRO C[C@H]([NH2+]Cc1csc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000037775629 213167120 /nfs/dbraw/zinc/16/71/20/213167120.db2.gz WICHYJMTLREHCC-VIFPVBQESA-N 1 0 341.230 4.270 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC000034994310 1018803959 /nfs/dbraw/zinc/80/39/59/1018803959.db2.gz RCBYMUHQCHIFNE-NSHDSACASA-N 1 0 335.201 4.208 20 5 EIBDRO CC[C@H](C)[NH2+][C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)c1ccco1 ZINC000557695290 1018866299 /nfs/dbraw/zinc/86/62/99/1018866299.db2.gz VOSFQRMAQXZHAG-HZMBPMFUSA-N 1 0 339.342 4.007 20 5 EIBDRO C[C@@H](C[C@H]1CCCO1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000608837843 1019295367 /nfs/dbraw/zinc/29/53/67/1019295367.db2.gz PDKZIFIRHLROSO-UONOGXRCSA-N 1 0 346.452 4.371 20 5 EIBDRO COc1ccc(C[C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000610217350 1019427652 /nfs/dbraw/zinc/42/76/52/1019427652.db2.gz JCGLOISKFCZSEM-KRWDZBQOSA-N 1 0 340.423 4.058 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CCOCC1 ZINC000134496200 1019830358 /nfs/dbraw/zinc/83/03/58/1019830358.db2.gz VUHXCBJDKHHPQH-CYBMUJFWSA-N 1 0 346.452 4.228 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]CCn2ccc3cc(Cl)ccc32)cs1 ZINC000512497431 1032928994 /nfs/dbraw/zinc/92/89/94/1032928994.db2.gz VIPYOCYLPHAINN-UHFFFAOYSA-N 1 0 335.816 4.054 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c(F)c1 ZINC001167271260 1020746453 /nfs/dbraw/zinc/74/64/53/1020746453.db2.gz YGWJORNESQRUJT-UHFFFAOYSA-N 1 0 346.377 4.328 20 5 EIBDRO C[C@H]1CCCCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000547931361 1020894771 /nfs/dbraw/zinc/89/47/71/1020894771.db2.gz QJFNDNXWBZQUNE-ZDUSSCGKSA-N 1 0 331.441 4.483 20 5 EIBDRO C[N@@H+]1CCC[C@@H](CNc2ccsc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000610281328 1020965282 /nfs/dbraw/zinc/96/52/82/1020965282.db2.gz MWHWVYQXOJYLIN-SMDDNHRTSA-N 1 0 337.470 4.213 20 5 EIBDRO C[N@@H+]1CCC[C@H](CNc2ccsc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000610281325 1020965326 /nfs/dbraw/zinc/96/53/26/1020965326.db2.gz MWHWVYQXOJYLIN-BXUZGUMPSA-N 1 0 337.470 4.213 20 5 EIBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])s2)[C@H]1c1cccs1 ZINC000610281334 1020966045 /nfs/dbraw/zinc/96/60/45/1020966045.db2.gz QJBGYZQFGUKPKZ-ABAIWWIYSA-N 1 0 337.470 4.213 20 5 EIBDRO COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000290174248 1021197147 /nfs/dbraw/zinc/19/71/47/1021197147.db2.gz DWEHRZTVPITXKU-NHYWBVRUSA-N 1 0 330.359 4.081 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000581230420 1021837815 /nfs/dbraw/zinc/83/78/15/1021837815.db2.gz DUKCIEYNNVEWNI-YRBHFNIASA-N 1 0 328.334 4.272 20 5 EIBDRO CCOc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1Cl ZINC000579734623 1022235757 /nfs/dbraw/zinc/23/57/57/1022235757.db2.gz WTPMXJIVRWKBRG-INIZCTEOSA-N 1 0 346.814 4.424 20 5 EIBDRO CCOc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1Cl ZINC000579734631 1022238845 /nfs/dbraw/zinc/23/88/45/1022238845.db2.gz WTPMXJIVRWKBRG-MRXNPFEDSA-N 1 0 346.814 4.424 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc(-n2ccnc2)cc1 ZINC000468639254 1022252116 /nfs/dbraw/zinc/25/21/16/1022252116.db2.gz RSYVKAHBWGQBTK-PTNGSMBKSA-N 1 0 334.379 4.296 20 5 EIBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC001167424405 1022314789 /nfs/dbraw/zinc/31/47/89/1022314789.db2.gz IQKSITBBCZMQOJ-HNNXBMFYSA-N 1 0 346.814 4.117 20 5 EIBDRO Cc1csc(C2([NH2+][C@@H](C)CCc3ccccc3[N+](=O)[O-])CCC2)n1 ZINC000537430058 1022345393 /nfs/dbraw/zinc/34/53/93/1022345393.db2.gz CVODOKBGECSEMF-ZDUSSCGKSA-N 1 0 345.468 4.350 20 5 EIBDRO CC(C)Cc1ccc([C@@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C(C)C)cc1 ZINC001167728527 1022423739 /nfs/dbraw/zinc/42/37/39/1022423739.db2.gz PAHDKCQYPNYXQO-SFHVURJKSA-N 1 0 344.459 4.014 20 5 EIBDRO CC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000159086700 1022442260 /nfs/dbraw/zinc/44/22/60/1022442260.db2.gz GKMAYEMTIOVUKD-STQMWFEESA-N 1 0 334.441 4.135 20 5 EIBDRO C[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1ccc([N+](=O)[O-])cc1 ZINC000471621289 1022567474 /nfs/dbraw/zinc/56/74/74/1022567474.db2.gz VICRRZBZRVYYOG-ZDUSSCGKSA-N 1 0 341.386 4.119 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000512542253 1033073656 /nfs/dbraw/zinc/07/36/56/1033073656.db2.gz MNCZFRNPQIHEIO-VURMDHGXSA-N 1 0 344.455 4.422 20 5 EIBDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581143540 1022857359 /nfs/dbraw/zinc/85/73/59/1022857359.db2.gz WRSLHJMLPINFMH-SJORKVTESA-N 1 0 342.370 4.007 20 5 EIBDRO Cc1nc([C@H]2CCCN2C/C=C/c2ccccc2[N+](=O)[O-])cs1 ZINC000189925713 1023176687 /nfs/dbraw/zinc/17/66/87/1023176687.db2.gz HDJDOXBFYAUROT-BBOMDTFKSA-N 1 0 329.425 4.210 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCc1nccs1)CCCC2 ZINC000417312579 1023257374 /nfs/dbraw/zinc/25/73/74/1023257374.db2.gz SOUQHJJWMQGNSQ-MRXNPFEDSA-N 1 0 331.441 4.041 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1F ZINC000417328390 1023260218 /nfs/dbraw/zinc/26/02/18/1023260218.db2.gz SMSXAVIVGUWYMV-GOSISDBHSA-N 1 0 344.386 4.300 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](C)c2csc(Cl)c2)cc1[N+](=O)[O-] ZINC000276442056 1023538905 /nfs/dbraw/zinc/53/89/05/1023538905.db2.gz YEWSINGKDJOPPS-VIFPVBQESA-N 1 0 326.805 4.169 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000566592702 1023559455 /nfs/dbraw/zinc/55/94/55/1023559455.db2.gz JRPHBZMAAGCSTO-AZEVEFHYSA-N 1 0 342.439 4.032 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)c1ccccc1[N+](=O)[O-] ZINC000337418986 1023611295 /nfs/dbraw/zinc/61/12/95/1023611295.db2.gz FAGORJILQWHWAL-ZMSDIMECSA-N 1 0 325.412 4.367 20 5 EIBDRO COc1cc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1SC ZINC000123263774 1023614605 /nfs/dbraw/zinc/61/46/05/1023614605.db2.gz WMJHXQUVSZPUHK-ZDUSSCGKSA-N 1 0 346.452 4.219 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)c1ncc(C)s1 ZINC000468615705 1023696841 /nfs/dbraw/zinc/69/68/41/1023696841.db2.gz QQYOSOAVWOOOJW-OTAKNEKHSA-N 1 0 331.441 4.156 20 5 EIBDRO CCC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000120292893 1023738297 /nfs/dbraw/zinc/73/82/97/1023738297.db2.gz SVENGFLQWAHSEF-KRWDZBQOSA-N 1 0 344.411 4.243 20 5 EIBDRO CC(C)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000511700327 1023837804 /nfs/dbraw/zinc/83/78/04/1023837804.db2.gz XEMRJBLBBIRCEJ-UHFFFAOYSA-N 1 0 345.365 4.146 20 5 EIBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000610573512 1023947078 /nfs/dbraw/zinc/94/70/78/1023947078.db2.gz NVHGEZBRZXKCPC-DZGCQCFKSA-N 1 0 331.441 4.121 20 5 EIBDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000610741093 1024805583 /nfs/dbraw/zinc/80/55/83/1024805583.db2.gz DQFZZCJVCWRFBN-KBPBESRZSA-N 1 0 346.452 4.228 20 5 EIBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000610783474 1024847986 /nfs/dbraw/zinc/84/79/86/1024847986.db2.gz XQRFNNJTNLNFIL-YVEFUNNKSA-N 1 0 334.803 4.287 20 5 EIBDRO CC(C)c1csc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000128539352 1025032484 /nfs/dbraw/zinc/03/24/84/1025032484.db2.gz QAMURLSVDZKBJA-OAHLLOKOSA-N 1 0 345.468 4.286 20 5 EIBDRO CC(C)COc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000481543455 1025196774 /nfs/dbraw/zinc/19/67/74/1025196774.db2.gz FCXSXWMSILANOK-OAHLLOKOSA-N 1 0 328.412 4.480 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc(O)c1 ZINC000105461300 1025374934 /nfs/dbraw/zinc/37/49/34/1025374934.db2.gz YFKXATFUZWAAQR-ZDUSSCGKSA-N 1 0 338.363 4.411 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(O)c1 ZINC000105461288 1025376424 /nfs/dbraw/zinc/37/64/24/1025376424.db2.gz PBOAWFPOWDVWKS-CYBMUJFWSA-N 1 0 338.363 4.411 20 5 EIBDRO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094265990 1025534353 /nfs/dbraw/zinc/53/43/53/1025534353.db2.gz HDXOKVCUWYHPCB-ZDUSSCGKSA-N 1 0 327.222 4.026 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC001167506223 1025572149 /nfs/dbraw/zinc/57/21/49/1025572149.db2.gz ZONIPGRYLZSRAQ-UHFFFAOYSA-N 1 0 342.439 4.321 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000893621669 1025581521 /nfs/dbraw/zinc/58/15/21/1025581521.db2.gz UWAWUYAUIMKYMC-WMZOPIPTSA-N 1 0 346.814 4.258 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000539063130 1025786882 /nfs/dbraw/zinc/78/68/82/1025786882.db2.gz SVFLSXQHRRKOEX-MGPQQGTHSA-N 1 0 338.473 4.011 20 5 EIBDRO CCCCn1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000539214865 1025875879 /nfs/dbraw/zinc/87/58/79/1025875879.db2.gz XZCWJWXYWRRLGX-CQSZACIVSA-N 1 0 330.432 4.059 20 5 EIBDRO CC(C)[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000539216356 1025880819 /nfs/dbraw/zinc/88/08/19/1025880819.db2.gz UVQAPTFBDPMWFT-IBGZPJMESA-N 1 0 327.428 4.299 20 5 EIBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(Cl)nc2)c2cc([N+](=O)[O-])ccc21 ZINC000279014715 1025954904 /nfs/dbraw/zinc/95/49/04/1025954904.db2.gz HFVWMXFNXKWEFG-HNNXBMFYSA-N 1 0 331.803 4.155 20 5 EIBDRO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)CCO2 ZINC000344112083 1026023535 /nfs/dbraw/zinc/02/35/35/1026023535.db2.gz VCGHMFFXMUSFFC-CXAGYDPISA-N 1 0 342.395 4.086 20 5 EIBDRO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000178532110 1026047696 /nfs/dbraw/zinc/04/76/96/1026047696.db2.gz PHZMVFOMPWBJNC-DJJJIMSYSA-N 1 0 326.396 4.405 20 5 EIBDRO CC1(C)C[C@@H]([NH2+][C@H](CCO)c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000279124605 1026114817 /nfs/dbraw/zinc/11/48/17/1026114817.db2.gz QHXXCWPMUNXRED-RTBURBONSA-N 1 0 340.423 4.031 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2c[nH]c3ccc(F)cc23)c(Cl)c1 ZINC000344206050 1026137107 /nfs/dbraw/zinc/13/71/07/1026137107.db2.gz DQNBXMXFUZIBLN-UHFFFAOYSA-N 1 0 347.777 4.201 20 5 EIBDRO CC1(C)CC(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000548700437 1026279982 /nfs/dbraw/zinc/27/99/82/1026279982.db2.gz PZNFLHAWQXRVRD-UHFFFAOYSA-N 1 0 331.441 4.244 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000158156301 1026297477 /nfs/dbraw/zinc/29/74/77/1026297477.db2.gz IJAZUMKDXJZRLG-FNHZYXHNSA-N 1 0 326.396 4.166 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCCc2ccccc21 ZINC000342731987 1026425874 /nfs/dbraw/zinc/42/58/74/1026425874.db2.gz ZGRMRUHNNBGHML-SFHVURJKSA-N 1 0 326.396 4.161 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000127481196 1026505693 /nfs/dbraw/zinc/50/56/93/1026505693.db2.gz GZXGGXNHZMEPHC-NVXWUHKLSA-N 1 0 332.444 4.436 20 5 EIBDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000127700214 1026677832 /nfs/dbraw/zinc/67/78/32/1026677832.db2.gz AESNHCROZBAUKD-HNNXBMFYSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCOc3ccccc32)cccc1[N+](=O)[O-] ZINC000158382211 1026704543 /nfs/dbraw/zinc/70/45/43/1026704543.db2.gz ATVYAZQEPJERRZ-CABCVRRESA-N 1 0 326.396 4.120 20 5 EIBDRO CC[C@@H]1C[C@@]1([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000500505846 1026804724 /nfs/dbraw/zinc/80/47/24/1026804724.db2.gz ZZGSPJVULOSACC-UZLBHIALSA-N 1 0 340.423 4.327 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCCCO1 ZINC000507611488 1026853999 /nfs/dbraw/zinc/85/39/99/1026853999.db2.gz PXLLZDFNKWYMGA-CABCVRRESA-N 1 0 338.473 4.014 20 5 EIBDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178645587 1027073494 /nfs/dbraw/zinc/07/34/94/1027073494.db2.gz ITWIOIUCCOEGPX-CQSZACIVSA-N 1 0 341.411 4.184 20 5 EIBDRO CCC[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178650739 1027093269 /nfs/dbraw/zinc/09/32/69/1027093269.db2.gz GUPILADYNLDVRY-ICSRJNTNSA-N 1 0 342.439 4.192 20 5 EIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(-c2ccccn2)c1 ZINC000579163103 1027246546 /nfs/dbraw/zinc/24/65/46/1027246546.db2.gz DVCUSWCKFHPJOT-UHFFFAOYSA-N 1 0 347.418 4.331 20 5 EIBDRO C[C@H]([NH2+]CCc1nc(C(C)(C)C)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000178654121 1027259446 /nfs/dbraw/zinc/25/94/46/1027259446.db2.gz ZCGHUJMZEVSUDG-LBPRGKRZSA-N 1 0 333.457 4.242 20 5 EIBDRO COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000121922669 1027341358 /nfs/dbraw/zinc/34/13/58/1027341358.db2.gz XMCDOBQYGSOGNA-SCLBCKFNSA-N 1 0 326.396 4.250 20 5 EIBDRO COc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000441353277 1027473518 /nfs/dbraw/zinc/47/35/18/1027473518.db2.gz YZIQWHZVAXRTHY-CXAGYDPISA-N 1 0 344.386 4.326 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178686472 1027474095 /nfs/dbraw/zinc/47/40/95/1027474095.db2.gz HKKFXTMTLXDLFA-STQMWFEESA-N 1 0 331.391 4.212 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000178689065 1027489233 /nfs/dbraw/zinc/48/92/33/1027489233.db2.gz QZIATMWAVPKXIQ-CHWSQXEVSA-N 1 0 329.356 4.223 20 5 EIBDRO CCC1(CC)CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000186555838 1027541895 /nfs/dbraw/zinc/54/18/95/1027541895.db2.gz NVRVQTRPIIMLCZ-UHFFFAOYSA-N 1 0 344.415 4.047 20 5 EIBDRO CO[C@]1(C)CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000475547764 1027585091 /nfs/dbraw/zinc/58/50/91/1027585091.db2.gz IFGDFZSXCAAOKO-LJQANCHMSA-N 1 0 344.411 4.246 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000475550391 1027589728 /nfs/dbraw/zinc/58/97/28/1027589728.db2.gz RARFNVYSYMRRSZ-WBVHZDCISA-N 1 0 344.386 4.168 20 5 EIBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000444661627 1027932044 /nfs/dbraw/zinc/93/20/44/1027932044.db2.gz IDZKVAFETDMAGP-DYVFJYSZSA-N 1 0 329.400 4.260 20 5 EIBDRO C/C(=C/c1ccccc1OC(F)F)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000583112685 1028016921 /nfs/dbraw/zinc/01/69/21/1028016921.db2.gz BWEKUTMHXXHJGN-RAXLEYEMSA-N 1 0 348.349 4.389 20 5 EIBDRO CC(C)[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000444750835 1028036100 /nfs/dbraw/zinc/03/61/00/1028036100.db2.gz KOFSERQJUFAFJW-OAHLLOKOSA-N 1 0 329.400 4.118 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000268801776 1028275163 /nfs/dbraw/zinc/27/51/63/1028275163.db2.gz KLKRBLBLOZNLDW-DYVFJYSZSA-N 1 0 344.411 4.414 20 5 EIBDRO COCC1(CC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000583322143 1028502023 /nfs/dbraw/zinc/50/20/23/1028502023.db2.gz VDGXFFDSQUDUBR-LJQANCHMSA-N 1 0 340.423 4.091 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000278338591 1028916779 /nfs/dbraw/zinc/91/67/79/1028916779.db2.gz AFTHULHZPFOZAQ-VNHYZAJKSA-N 1 0 346.452 4.399 20 5 EIBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)CC1CCOCC1 ZINC000093284390 1029205142 /nfs/dbraw/zinc/20/51/42/1029205142.db2.gz SEOUXZOIKZSPCL-UHFFFAOYSA-N 1 0 346.452 4.182 20 5 EIBDRO COC1CCC(C)(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000475191800 1029394279 /nfs/dbraw/zinc/39/42/79/1029394279.db2.gz FADHOUOBPMMVEP-PTNGSMBKSA-N 1 0 332.444 4.183 20 5 EIBDRO C[C@@H](CCCC(F)(F)F)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000583958415 1029414656 /nfs/dbraw/zinc/41/46/56/1029414656.db2.gz NDFXKJPEORIDBY-NSHDSACASA-N 1 0 343.349 4.329 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCCC4(CCC4)C3)cs2)c1 ZINC000475288269 1029500478 /nfs/dbraw/zinc/50/04/78/1029500478.db2.gz YIIAPWMNCSMTCI-UHFFFAOYSA-N 1 0 343.452 4.484 20 5 EIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cs1 ZINC000525267373 1029553235 /nfs/dbraw/zinc/55/32/35/1029553235.db2.gz GEVGJKSKWNSTGR-CYBMUJFWSA-N 1 0 334.466 4.271 20 5 EIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000525283105 1029554455 /nfs/dbraw/zinc/55/44/55/1029554455.db2.gz GTFCXDWPHTYSAG-QPJJXVBHSA-N 1 0 338.407 4.151 20 5 EIBDRO CCC[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000446838448 1029605661 /nfs/dbraw/zinc/60/56/61/1029605661.db2.gz ILFBPABMKQBUCW-HNNXBMFYSA-N 1 0 338.411 4.145 20 5 EIBDRO CCO[C@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000446857517 1029612097 /nfs/dbraw/zinc/61/20/97/1029612097.db2.gz VTUZDCNDYWBCRU-OXQOHEQNSA-N 1 0 342.439 4.283 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000584402490 1029822355 /nfs/dbraw/zinc/82/23/55/1029822355.db2.gz WVWPKEILIGOAFO-GALLPEHLSA-N 1 0 342.361 4.237 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000610271444 1030051696 /nfs/dbraw/zinc/05/16/96/1030051696.db2.gz IFBYJSRFGVNRQU-CGTJXYLNSA-N 1 0 332.444 4.011 20 5 EIBDRO CC(C)c1nc(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cs1 ZINC000447533156 1030138111 /nfs/dbraw/zinc/13/81/11/1030138111.db2.gz ZIEBHPMWZNSEAN-QGZVFWFLSA-N 1 0 345.468 4.384 20 5 EIBDRO COc1ccc(Cl)cc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447536590 1030143005 /nfs/dbraw/zinc/14/30/05/1030143005.db2.gz ONIQZQHLFAHQFE-QGZVFWFLSA-N 1 0 346.814 4.424 20 5 EIBDRO CCO[C@H](C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000447567915 1030178563 /nfs/dbraw/zinc/17/85/63/1030178563.db2.gz FYAMSWMNQHSBIU-RTBURBONSA-N 1 0 328.412 4.413 20 5 EIBDRO CO[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC000447589128 1030193814 /nfs/dbraw/zinc/19/38/14/1030193814.db2.gz WQIVWYULQPUHCY-OALUTQOASA-N 1 0 344.386 4.089 20 5 EIBDRO C[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)Oc1ccccc1 ZINC000447579698 1030209572 /nfs/dbraw/zinc/20/95/72/1030209572.db2.gz LNOXUCLVTUODDR-IFXJQAMLSA-N 1 0 326.396 4.029 20 5 EIBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCCc3sccc32)n1 ZINC000447602497 1030223748 /nfs/dbraw/zinc/22/37/48/1030223748.db2.gz USOSLCGNGJITJF-SOUVJXGZSA-N 1 0 346.456 4.004 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(F)c(F)c1 ZINC000526049802 1030232919 /nfs/dbraw/zinc/23/29/19/1030232919.db2.gz FNNGTXRZHMXJFQ-ZDUSSCGKSA-N 1 0 334.366 4.026 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCSC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000530476074 1030444765 /nfs/dbraw/zinc/44/47/65/1030444765.db2.gz LWTMFWZTHRCFOJ-NWDGAFQWSA-N 1 0 334.466 4.479 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H]2CCSC2)c2ccccc2)c1 ZINC000448029774 1030526475 /nfs/dbraw/zinc/52/64/75/1030526475.db2.gz QWHYXMCNEOVTIN-KSSFIOAISA-N 1 0 328.437 4.027 20 5 EIBDRO C[C@@H]([NH2+]CC1(CCO)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000188049042 1030750000 /nfs/dbraw/zinc/75/00/00/1030750000.db2.gz UGNXDHKFEXOMCQ-CYBMUJFWSA-N 1 0 346.452 4.137 20 5 EIBDRO C[C@H]1CCC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000237699173 1030853656 /nfs/dbraw/zinc/85/36/56/1030853656.db2.gz OPJQZROKDCSXOM-JSGCOSHPSA-N 1 0 331.441 4.387 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(c2ccncc2)CC1 ZINC000191612581 1031061644 /nfs/dbraw/zinc/06/16/44/1031061644.db2.gz RZKMIYYXLQQHEG-OAHLLOKOSA-N 1 0 325.412 4.239 20 5 EIBDRO CCC(=O)Nc1cccc(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)c1 ZINC000532446415 1031082032 /nfs/dbraw/zinc/08/20/32/1031082032.db2.gz YUDANFPIUMQGKU-SFHVURJKSA-N 1 0 341.411 4.184 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000130130599 1031133694 /nfs/dbraw/zinc/13/36/94/1031133694.db2.gz WKRAEWKJAZOVNR-GZBFAFLISA-N 1 0 331.441 4.113 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1[N+](=O)[O-] ZINC000278789250 1031351137 /nfs/dbraw/zinc/35/11/37/1031351137.db2.gz QFQCSOSADDEPHB-SJCJKPOMSA-N 1 0 341.367 4.231 20 5 EIBDRO CCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000531683240 1031475011 /nfs/dbraw/zinc/47/50/11/1031475011.db2.gz AKYCRJZIRVIQAC-AWEZNQCLSA-N 1 0 341.411 4.103 20 5 EIBDRO CCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000531683259 1031475227 /nfs/dbraw/zinc/47/52/27/1031475227.db2.gz BUBOSSHWUHRALN-AWEZNQCLSA-N 1 0 341.411 4.103 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnn2C2CCCC2)cc1[N+](=O)[O-] ZINC000449172478 1031490055 /nfs/dbraw/zinc/49/00/55/1031490055.db2.gz MIJPEIZRCUBWHV-AWEZNQCLSA-N 1 0 328.416 4.066 20 5 EIBDRO C[C@H]([NH2+][C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000531706937 1031494954 /nfs/dbraw/zinc/49/49/54/1031494954.db2.gz LFBOJJOCMSQLQH-FASAQXTFSA-N 1 0 344.386 4.305 20 5 EIBDRO COc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531724912 1031526296 /nfs/dbraw/zinc/52/62/96/1031526296.db2.gz BEGBOELGVXLMJT-GJZGRUSLSA-N 1 0 344.411 4.030 20 5 EIBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H](c2cccs2)C2CC2)cc1 ZINC000612457958 1031546036 /nfs/dbraw/zinc/54/60/36/1031546036.db2.gz KRPJIOFPDWXTBP-KRWDZBQOSA-N 1 0 332.425 4.166 20 5 EIBDRO Cc1cc(CN2CCc3ccc([N+](=O)[O-])cc3C2)c2ccccc2n1 ZINC000531782009 1031598831 /nfs/dbraw/zinc/59/88/31/1031598831.db2.gz JWAMHTAWVQMNBD-UHFFFAOYSA-N 1 0 333.391 4.010 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2c(Cl)cccc2Cl)cc1 ZINC000520248670 1031620359 /nfs/dbraw/zinc/62/03/59/1031620359.db2.gz DOVQJNOPYNXORH-UHFFFAOYSA-N 1 0 341.194 4.070 20 5 EIBDRO CCC1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000236655011 1031620970 /nfs/dbraw/zinc/62/09/70/1031620970.db2.gz ZQHZNQXKAQQCDA-UHFFFAOYSA-N 1 0 331.441 4.388 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000136713941 1031649876 /nfs/dbraw/zinc/64/98/76/1031649876.db2.gz ZZGDOUDXERJXJK-INIZCTEOSA-N 1 0 332.444 4.300 20 5 EIBDRO Cc1c(-c2noc([C@@H]3CCC[N@@H+]3C3CCCC3)n2)cccc1[N+](=O)[O-] ZINC000453261589 1031784438 /nfs/dbraw/zinc/78/44/38/1031784438.db2.gz RZDZQDZMKXBWBV-INIZCTEOSA-N 1 0 342.399 4.033 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2cccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453382216 1031893294 /nfs/dbraw/zinc/89/32/94/1031893294.db2.gz LSZMUPWTHITPOO-BJJXKVORSA-N 1 0 332.425 4.227 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]CCc2cccc3cccnc32)cccc1[N+](=O)[O-] ZINC000531989957 1031898585 /nfs/dbraw/zinc/89/85/85/1031898585.db2.gz BDYHYZBIIJGTDZ-OAHLLOKOSA-N 1 0 335.407 4.345 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000453428054 1031980197 /nfs/dbraw/zinc/98/01/97/1031980197.db2.gz OZJWYXKPUYNKPM-XNRPHZJLSA-N 1 0 332.425 4.227 20 5 EIBDRO C[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1C ZINC000512643513 1033598083 /nfs/dbraw/zinc/59/80/83/1033598083.db2.gz DMZRZZMACMCFLU-OLZOCXBDSA-N 1 0 331.441 4.339 20 5 EIBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3c2cccc3O)c2cc([N+](=O)[O-])ccc21 ZINC000433125098 1033895080 /nfs/dbraw/zinc/89/50/80/1033895080.db2.gz IJLZCKPZNSZUAJ-QZTJIDSGSA-N 1 0 338.407 4.300 20 5 EIBDRO CSC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000433194095 1034020654 /nfs/dbraw/zinc/02/06/54/1034020654.db2.gz UPRRLRCDZLVFAX-UHFFFAOYSA-N 1 0 334.466 4.309 20 5 EIBDRO COC[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000433220422 1034068260 /nfs/dbraw/zinc/06/82/60/1034068260.db2.gz LDUDXFZRCHGQTE-RTBURBONSA-N 1 0 340.423 4.295 20 5 EIBDRO Cc1cnc([C@@H](C)C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000433227653 1034075066 /nfs/dbraw/zinc/07/50/66/1034075066.db2.gz LTSBTULSZWPPME-ZBEGNZNMSA-N 1 0 345.468 4.475 20 5 EIBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000512880365 1034121729 /nfs/dbraw/zinc/12/17/29/1034121729.db2.gz SRLOTRYERTWDPN-BXUZGUMPSA-N 1 0 334.466 4.164 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC3(C(F)(F)F)CC3)o2)c1 ZINC000512898693 1034141368 /nfs/dbraw/zinc/14/13/68/1034141368.db2.gz IGDLCTWMHXLXGG-UHFFFAOYSA-N 1 0 340.301 4.287 20 5 EIBDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000300488665 1034676723 /nfs/dbraw/zinc/67/67/23/1034676723.db2.gz RLUJBVAJOSUONP-PWSUYJOCSA-N 1 0 327.222 4.026 20 5 EIBDRO CC(C)[N@H+](CCc1nccs1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182362936 1034894334 /nfs/dbraw/zinc/89/43/34/1034894334.db2.gz PASUKFZKWNSQHX-UHFFFAOYSA-N 1 0 339.848 4.158 20 5 EIBDRO CCc1nccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182759762 1034989009 /nfs/dbraw/zinc/98/90/09/1034989009.db2.gz IKHWHUBLGMWKLH-DOTOQJQBSA-N 1 0 342.443 4.060 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595014141 1035505558 /nfs/dbraw/zinc/50/55/58/1035505558.db2.gz LHJJYLZCSSTUFU-CHWSQXEVSA-N 1 0 330.384 4.024 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000595019672 1035508507 /nfs/dbraw/zinc/50/85/07/1035508507.db2.gz PDIHSPDPGWYDKZ-NQCMUKECSA-N 1 0 326.396 4.188 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000594995492 1035518987 /nfs/dbraw/zinc/51/89/87/1035518987.db2.gz MHJPLZFXCWAHNA-RIGDPXHOSA-N 1 0 338.382 4.065 20 5 EIBDRO COc1ccc([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1F ZINC000595002927 1035523396 /nfs/dbraw/zinc/52/33/96/1035523396.db2.gz BQVOTKVWWUHVFC-RYUDHWBXSA-N 1 0 348.374 4.163 20 5 EIBDRO COc1ccccc1[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595003300 1035525624 /nfs/dbraw/zinc/52/56/24/1035525624.db2.gz GMBCBCHPVMJHNM-CHWSQXEVSA-N 1 0 330.384 4.024 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000595008570 1035527923 /nfs/dbraw/zinc/52/79/23/1035527923.db2.gz VODFQMDPJAMAQM-CQSZACIVSA-N 1 0 344.411 4.241 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(CSC)cc1 ZINC000595038009 1035565475 /nfs/dbraw/zinc/56/54/75/1035565475.db2.gz BTPWAPIOYJQFIG-ZDUSSCGKSA-N 1 0 346.452 4.317 20 5 EIBDRO CC[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)CC(F)(F)F ZINC000595051222 1035570592 /nfs/dbraw/zinc/57/05/92/1035570592.db2.gz LTUHEHWZFWATFN-GHMZBOCLSA-N 1 0 334.338 4.233 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](c1ccccc1)[C@H](O)C(C)C ZINC000595096342 1035605719 /nfs/dbraw/zinc/60/57/19/1035605719.db2.gz JOKQQKWHAOEMDM-RYGJVYDSSA-N 1 0 342.439 4.312 20 5 EIBDRO CC(C)[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000595095104 1035606016 /nfs/dbraw/zinc/60/60/16/1035606016.db2.gz FMCXFSDHCRMMGZ-ZOCIIQOWSA-N 1 0 328.412 4.004 20 5 EIBDRO COCCCC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000595470404 1035687004 /nfs/dbraw/zinc/68/70/04/1035687004.db2.gz UVVVZSSNRKOPLI-SFHVURJKSA-N 1 0 346.402 4.382 20 5 EIBDRO COCC[C@H](C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237114796 1035768870 /nfs/dbraw/zinc/76/88/70/1035768870.db2.gz AMBCQCJLWZNHER-ZDUSSCGKSA-N 1 0 348.374 4.041 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000601320645 1036050833 /nfs/dbraw/zinc/05/08/33/1036050833.db2.gz IAMPLNZUWLRXBK-CYBMUJFWSA-N 1 0 339.395 4.326 20 5 EIBDRO Cc1c(C[NH2+][C@@H](C)c2cnn(C3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000502455541 1036238403 /nfs/dbraw/zinc/23/84/03/1036238403.db2.gz XGQYUBKHPGJBEE-AWEZNQCLSA-N 1 0 328.416 4.066 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCCC1(F)F ZINC000588232574 1036306283 /nfs/dbraw/zinc/30/62/83/1036306283.db2.gz OLIGMEQGVKCERD-FZMZJTMJSA-N 1 0 330.400 4.243 20 5 EIBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2ncsc2c1 ZINC000485838561 1036308988 /nfs/dbraw/zinc/30/89/88/1036308988.db2.gz GHTNYJHJTQDKGI-GFCCVEGCSA-N 1 0 327.409 4.098 20 5 EIBDRO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602576499 1036506908 /nfs/dbraw/zinc/50/69/08/1036506908.db2.gz CNYHUTZCEWUPBJ-BLVKFPJESA-N 1 0 337.379 4.149 20 5 EIBDRO CC(C)Oc1ccc([C@@H](CNc2ccc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000588845514 1036551955 /nfs/dbraw/zinc/55/19/55/1036551955.db2.gz IMUJRNRLTCRKTO-OAHLLOKOSA-N 1 0 349.456 4.158 20 5 EIBDRO Cc1nc([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)s1 ZINC000588959526 1036621915 /nfs/dbraw/zinc/62/19/15/1036621915.db2.gz GAJLOZTWHNTTNE-SNVBAGLBSA-N 1 0 344.440 4.043 20 5 EIBDRO CC[C@@H](Cc1cccs1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588959235 1036623564 /nfs/dbraw/zinc/62/35/64/1036623564.db2.gz NWIKQEFDLICTJV-AWEZNQCLSA-N 1 0 343.452 4.291 20 5 EIBDRO C[NH+](C)[C@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000589102701 1036656658 /nfs/dbraw/zinc/65/66/58/1036656658.db2.gz HHXPIHIXEYJDAJ-MRXNPFEDSA-N 1 0 335.354 4.247 20 5 EIBDRO COc1cc(C)ccc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192953379 1036721089 /nfs/dbraw/zinc/72/10/89/1036721089.db2.gz BFOTWTNNWQRFPY-GOSISDBHSA-N 1 0 326.396 4.079 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(C)OCCc2sccc21 ZINC000589349731 1036759872 /nfs/dbraw/zinc/75/98/72/1036759872.db2.gz UTBDTCMGFSQOLF-UGSOOPFHSA-N 1 0 346.452 4.103 20 5 EIBDRO Cc1ccc(C[NH2+]CCCSc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000061012966 1036769975 /nfs/dbraw/zinc/76/99/75/1036769975.db2.gz QUZMRTFPSCRKTE-UHFFFAOYSA-N 1 0 334.416 4.314 20 5 EIBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486802286 1036863044 /nfs/dbraw/zinc/86/30/44/1036863044.db2.gz WUWIAQGUIYBLLD-CJNGLKHVSA-N 1 0 344.415 4.045 20 5 EIBDRO C[NH+](C)[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000603552439 1036882817 /nfs/dbraw/zinc/88/28/17/1036882817.db2.gz VXBDOWZIPQHDRY-AWEZNQCLSA-N 1 0 325.821 4.025 20 5 EIBDRO C[N@H+](CCSc1ccc(Cl)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000603581610 1036893678 /nfs/dbraw/zinc/89/36/78/1036893678.db2.gz XFKYGXRXPANYQP-UHFFFAOYSA-N 1 0 336.844 4.472 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccc2[nH]ccc21 ZINC000503125259 1036926440 /nfs/dbraw/zinc/92/64/40/1036926440.db2.gz WOFAJURGSXGOHB-OAHLLOKOSA-N 1 0 337.423 4.230 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1Br ZINC000231884355 1036986805 /nfs/dbraw/zinc/98/68/05/1036986805.db2.gz INTZKRDOBYCCDD-UHFFFAOYSA-N 1 0 349.228 4.264 20 5 EIBDRO CSc1ccc([C@H](CNc2sccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000590150884 1036991736 /nfs/dbraw/zinc/99/17/36/1036991736.db2.gz QZZQICVMZCZRAH-AWEZNQCLSA-N 1 0 337.470 4.093 20 5 EIBDRO CN(Cc1ccsc1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590154564 1036994034 /nfs/dbraw/zinc/99/40/34/1036994034.db2.gz OOBCUHRUDUIYPJ-UHFFFAOYSA-N 1 0 330.331 4.307 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ncccc3Cl)C2)cc1 ZINC000599434330 1037010122 /nfs/dbraw/zinc/01/01/22/1037010122.db2.gz YZEHZBWVTNZPME-CQSZACIVSA-N 1 0 331.803 4.023 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1F ZINC000487180275 1037036422 /nfs/dbraw/zinc/03/64/22/1037036422.db2.gz HJDIQZFSOUADPY-UHFFFAOYSA-N 1 0 342.292 4.351 20 5 EIBDRO COC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000487200063 1037044387 /nfs/dbraw/zinc/04/43/87/1037044387.db2.gz PBVYMYQXXLNRSD-YXMMZVCTSA-N 1 0 346.814 4.239 20 5 EIBDRO COC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000487200058 1037044944 /nfs/dbraw/zinc/04/49/44/1037044944.db2.gz PBVYMYQXXLNRSD-AATOQMJSSA-N 1 0 346.814 4.239 20 5 EIBDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000603856935 1037053077 /nfs/dbraw/zinc/05/30/77/1037053077.db2.gz GDBUJQQFKQMRFZ-KRWDZBQOSA-N 1 0 326.396 4.119 20 5 EIBDRO CC(C)c1ccc(C[NH2+]C2CCC(OC(F)F)CC2)cc1[N+](=O)[O-] ZINC000590662512 1037136335 /nfs/dbraw/zinc/13/63/35/1037136335.db2.gz ZAZXOCXYIYPJSO-UHFFFAOYSA-N 1 0 342.386 4.358 20 5 EIBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000604012605 1037147109 /nfs/dbraw/zinc/14/71/09/1037147109.db2.gz VRTIFTIBEOAUHL-MRXNPFEDSA-N 1 0 332.425 4.262 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(OC(F)F)CC2)cc1[N+](=O)[O-] ZINC000590780093 1037162713 /nfs/dbraw/zinc/16/27/13/1037162713.db2.gz GJZRCDCESWVSPH-LMWSTFAQSA-N 1 0 328.359 4.104 20 5 EIBDRO CC[NH+](CC)[C@@H](CNc1ccsc1[N+](=O)[O-])c1ccsc1 ZINC000604432641 1037389622 /nfs/dbraw/zinc/38/96/22/1037389622.db2.gz HLQSPZODMKPXPJ-ZDUSSCGKSA-N 1 0 325.459 4.213 20 5 EIBDRO COc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000604478819 1037397210 /nfs/dbraw/zinc/39/72/10/1037397210.db2.gz XIRMQDDVBRUIBQ-NRFANRHFSA-N 1 0 348.402 4.483 20 5 EIBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521170 1037404481 /nfs/dbraw/zinc/40/44/81/1037404481.db2.gz AIUASQZZGBFPHP-QUCCMNQESA-N 1 0 340.423 4.195 20 5 EIBDRO CCCn1nccc1C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000503414937 1037751224 /nfs/dbraw/zinc/75/12/24/1037751224.db2.gz GYCQHOFVQBIPDQ-HNNXBMFYSA-N 1 0 342.443 4.142 20 5 EIBDRO COc1ccccc1C1([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000592394404 1037787256 /nfs/dbraw/zinc/78/72/56/1037787256.db2.gz NQTFGOOSFVAZBV-CQSZACIVSA-N 1 0 326.396 4.252 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cscn1 ZINC000573982010 1037800892 /nfs/dbraw/zinc/80/08/92/1037800892.db2.gz BTVNLPWNFNVIKE-RYUDHWBXSA-N 1 0 337.470 4.273 20 5 EIBDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000489077718 1037857734 /nfs/dbraw/zinc/85/77/34/1037857734.db2.gz ZMHSCAXASCPLNB-ACJLOTCBSA-N 1 0 348.468 4.210 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000503862033 1037949985 /nfs/dbraw/zinc/94/99/85/1037949985.db2.gz QXUKVINOQNNLKV-UXIGCNINSA-N 1 0 328.359 4.104 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2OC(F)F)cccc1[N+](=O)[O-] ZINC000503864525 1037951214 /nfs/dbraw/zinc/95/12/14/1037951214.db2.gz VWLPMEVKKRAEMC-UXIGCNINSA-N 1 0 328.359 4.104 20 5 EIBDRO CCc1ccc([C@H]([NH2+][C@@H]2CCS[C@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000592397185 1037970024 /nfs/dbraw/zinc/97/00/24/1037970024.db2.gz DOPCMZXMFMEFLW-BJOOFOGMSA-N 1 0 346.452 4.323 20 5 EIBDRO C[C@@H]([NH2+]CCCc1c[nH]c2ccc(F)cc12)c1cccc([N+](=O)[O-])c1 ZINC000503938537 1038028769 /nfs/dbraw/zinc/02/87/69/1038028769.db2.gz UMYLTNQVQIWEGP-CYBMUJFWSA-N 1 0 341.386 4.499 20 5 EIBDRO CC[C@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000423352582 1038163369 /nfs/dbraw/zinc/16/33/69/1038163369.db2.gz KTPIGXULHKHJLC-OALUTQOASA-N 1 0 325.412 4.295 20 5 EIBDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000574319036 1038171702 /nfs/dbraw/zinc/17/17/02/1038171702.db2.gz BMHRLNHGYGDXCQ-KRWDZBQOSA-N 1 0 342.443 4.395 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000423361020 1038180024 /nfs/dbraw/zinc/18/00/24/1038180024.db2.gz WPYADNMIEUOXRT-UGSOOPFHSA-N 1 0 325.412 4.214 20 5 EIBDRO CC[C@H]1c2ccsc2CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000058933215 1038204895 /nfs/dbraw/zinc/20/48/95/1038204895.db2.gz NFXHAELYCTWKDL-INIZCTEOSA-N 1 0 332.425 4.045 20 5 EIBDRO COc1cc(C[NH2+][C@@H](c2ccccc2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000490003585 1038300850 /nfs/dbraw/zinc/30/08/50/1038300850.db2.gz JWENLUKWBULNJC-SFHVURJKSA-N 1 0 328.412 4.480 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(Br)c1 ZINC000594494229 1038347054 /nfs/dbraw/zinc/34/70/54/1038347054.db2.gz WXMWAVLNSUVFDQ-HNNXBMFYSA-N 1 0 347.212 4.134 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000594513363 1038357332 /nfs/dbraw/zinc/35/73/32/1038357332.db2.gz NEVUIQYNKHTRIH-KRWDZBQOSA-N 1 0 326.371 4.390 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCc2nccs2)o1 ZINC000076892428 1038377556 /nfs/dbraw/zinc/37/75/56/1038377556.db2.gz NVICTKDWSQOZMM-UHFFFAOYSA-N 1 0 343.408 4.034 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC4(CC4(F)F)C3)s2)cc1 ZINC000594608983 1038379375 /nfs/dbraw/zinc/37/93/75/1038379375.db2.gz JWDZPDQRXSZJIM-UHFFFAOYSA-N 1 0 336.363 4.164 20 5 EIBDRO COc1ccc([C@H]2CC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000504519955 1038393488 /nfs/dbraw/zinc/39/34/88/1038393488.db2.gz BHJUEKPURFIZGB-YOEHRIQHSA-N 1 0 326.396 4.154 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC23CC3)ccc1Oc1ccc(F)cc1 ZINC000424185676 1038728410 /nfs/dbraw/zinc/72/84/10/1038728410.db2.gz QCSQLUUEJREVRN-QGZVFWFLSA-N 1 0 328.343 4.168 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CCSCC(C)C)cc1[N+](=O)[O-] ZINC000539054430 1038801432 /nfs/dbraw/zinc/80/14/32/1038801432.db2.gz HJRILZDVOVZPDF-ZDUSSCGKSA-N 1 0 326.462 4.033 20 5 EIBDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000539056700 1038803122 /nfs/dbraw/zinc/80/31/22/1038803122.db2.gz WPSVHVOFPAHOPH-IQUTYRLHSA-N 1 0 344.411 4.030 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000504918468 1038842817 /nfs/dbraw/zinc/84/28/17/1038842817.db2.gz HNZPRTSJAXWYAZ-SUMWQHHRSA-N 1 0 326.396 4.332 20 5 EIBDRO C[C@H]1CC[C@H](C)[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000537619623 1038950116 /nfs/dbraw/zinc/95/01/16/1038950116.db2.gz HQHFWUWTEWNRTK-STQMWFEESA-N 1 0 331.441 4.339 20 5 EIBDRO COc1ccc(CCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000481058389 1038999728 /nfs/dbraw/zinc/99/97/28/1038999728.db2.gz WLHZUDCGJKHUAB-HNNXBMFYSA-N 1 0 328.412 4.195 20 5 EIBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000064114367 1039005388 /nfs/dbraw/zinc/00/53/88/1039005388.db2.gz ZFTJQWJWAHYMKS-HNNXBMFYSA-N 1 0 337.807 4.336 20 5 EIBDRO Cc1c(NC(=O)CC[N@@H+]2CCCC23CCCCC3)cccc1[N+](=O)[O-] ZINC000533993271 1039021323 /nfs/dbraw/zinc/02/13/23/1039021323.db2.gz SJEUGFQSKUSJDO-UHFFFAOYSA-N 1 0 345.443 4.031 20 5 EIBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C ZINC000481172949 1039095531 /nfs/dbraw/zinc/09/55/31/1039095531.db2.gz GMNNDZHVPNRCOS-PBFPGSCMSA-N 1 0 329.400 4.164 20 5 EIBDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534113815 1039114999 /nfs/dbraw/zinc/11/49/99/1039114999.db2.gz HTOPHBKLTLPZLO-KRWDZBQOSA-N 1 0 329.400 4.260 20 5 EIBDRO Cc1ccccc1[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000555420710 1039174626 /nfs/dbraw/zinc/17/46/26/1039174626.db2.gz PKRDNUYCPPWPFD-SFHVURJKSA-N 1 0 328.412 4.486 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+](CCO)C3CCCC3)s2)cc1 ZINC000505273635 1039184375 /nfs/dbraw/zinc/18/43/75/1039184375.db2.gz OXPVRIOFMKYQOG-UHFFFAOYSA-N 1 0 346.452 4.060 20 5 EIBDRO C[C@H]([NH2+]C[C@H]1CCO[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000477935358 1039221412 /nfs/dbraw/zinc/22/14/12/1039221412.db2.gz JIPLVZZCAHWGKV-POZUXBRTSA-N 1 0 326.396 4.023 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]CC2(c3ccccn3)CCC2)cc1[N+](=O)[O-] ZINC000552336755 1039401430 /nfs/dbraw/zinc/40/14/30/1039401430.db2.gz IQSBFLVKRQMVSV-HNNXBMFYSA-N 1 0 325.412 4.071 20 5 EIBDRO Cc1c(CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000478484591 1039794194 /nfs/dbraw/zinc/79/41/94/1039794194.db2.gz BWISLWPTUZINNJ-DNVCBOLYSA-N 1 0 345.487 4.036 20 5 EIBDRO CCOC1(C)CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000430106561 1039837102 /nfs/dbraw/zinc/83/71/02/1039837102.db2.gz RELCQUDCALGNOL-UHFFFAOYSA-N 1 0 344.411 4.246 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000482314540 1040164593 /nfs/dbraw/zinc/16/45/93/1040164593.db2.gz KAZUFHRIVPBCSY-BXWFABGCSA-N 1 0 339.439 4.081 20 5 EIBDRO CCC[NH+](CCC)CCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000609075348 1040252526 /nfs/dbraw/zinc/25/25/26/1040252526.db2.gz PECLQHJZMAWRIL-UHFFFAOYSA-N 1 0 330.432 4.067 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+]C3(C)CCCC3)o2)c([N+](=O)[O-])c1 ZINC000609075986 1040253396 /nfs/dbraw/zinc/25/33/96/1040253396.db2.gz YXTIKFMTSNIGIQ-UHFFFAOYSA-N 1 0 330.384 4.286 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000192707530 1040264538 /nfs/dbraw/zinc/26/45/38/1040264538.db2.gz BIFZIEJJSSLCHO-STQMWFEESA-N 1 0 330.384 4.024 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccc(C)n1 ZINC000479461991 1040369393 /nfs/dbraw/zinc/36/93/93/1040369393.db2.gz DRVYXJUTQXKCKH-HNNXBMFYSA-N 1 0 345.468 4.001 20 5 EIBDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000479495656 1040404604 /nfs/dbraw/zinc/40/46/04/1040404604.db2.gz KXGYOMZPNUMACR-LPHOPBHVSA-N 1 0 342.439 4.283 20 5 EIBDRO Cc1cc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C2CC2)ccc1F ZINC000539423236 1040432389 /nfs/dbraw/zinc/43/23/89/1040432389.db2.gz FDIKVMDCFCOOAK-GOSISDBHSA-N 1 0 332.350 4.422 20 5 EIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(F)(F)F ZINC000479608242 1040508820 /nfs/dbraw/zinc/50/88/20/1040508820.db2.gz WQBFLEYOPSSLJF-JTQLQIEISA-N 1 0 328.290 4.143 20 5 EIBDRO COc1ccc(C2([NH2+][C@@H](C)CCc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000539624060 1040626038 /nfs/dbraw/zinc/62/60/38/1040626038.db2.gz CVDBWKRVXJXMGO-HNNXBMFYSA-N 1 0 340.423 4.203 20 5 EIBDRO CC(C)[N@H+](CCC(=O)c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000539720964 1040736662 /nfs/dbraw/zinc/73/66/62/1040736662.db2.gz HOLVXVFLVKLWAN-UHFFFAOYSA-N 1 0 326.396 4.078 20 5 EIBDRO Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000443213134 1040756809 /nfs/dbraw/zinc/75/68/09/1040756809.db2.gz GHRPOSPOPJEOCD-FTRWYGJKSA-N 1 0 341.455 4.245 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+](CC3CC3)CC3CCC3)co2)cc1 ZINC000483270324 1040801797 /nfs/dbraw/zinc/80/17/97/1040801797.db2.gz OQHSOYJMBZKDJP-UHFFFAOYSA-N 1 0 341.411 4.262 20 5 EIBDRO CCCCCn1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000537938117 1040902273 /nfs/dbraw/zinc/90/22/73/1040902273.db2.gz NDPKBTBIWSAVCL-HNNXBMFYSA-N 1 0 344.459 4.449 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000537940825 1040906480 /nfs/dbraw/zinc/90/64/80/1040906480.db2.gz XZNOMLWDAOWMIC-GDBMZVCRSA-N 1 0 343.402 4.054 20 5 EIBDRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1cn[nH]c1 ZINC000537953761 1040922508 /nfs/dbraw/zinc/92/25/08/1040922508.db2.gz HGKORRXPAINBLL-RYUDHWBXSA-N 1 0 342.424 4.458 20 5 EIBDRO COc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000483641749 1040925741 /nfs/dbraw/zinc/92/57/41/1040925741.db2.gz UXDQCWSGAKUBGT-ZFWWWQNUSA-N 1 0 344.411 4.030 20 5 EIBDRO COc1ccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000483637424 1040938215 /nfs/dbraw/zinc/93/82/15/1040938215.db2.gz PAYZLBBTBZQUGW-GJZGRUSLSA-N 1 0 344.411 4.030 20 5 EIBDRO COC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000537985163 1040961292 /nfs/dbraw/zinc/96/12/92/1040961292.db2.gz VFZDJNJQXHSRIL-CXAGYDPISA-N 1 0 332.375 4.081 20 5 EIBDRO CC(C)[C@H](CO)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000554372511 1041058766 /nfs/dbraw/zinc/05/87/66/1041058766.db2.gz MSMAWPUUVDSWBC-KBPBESRZSA-N 1 0 348.468 4.238 20 5 EIBDRO CC1(C)C[C@H]([NH2+]C2CC(C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000554390232 1041070581 /nfs/dbraw/zinc/07/05/81/1041070581.db2.gz HETBPMLVJNHLCU-FDZGAKKTSA-N 1 0 328.334 4.248 20 5 EIBDRO C[C@@H](CCO)[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000540054594 1041076938 /nfs/dbraw/zinc/07/69/38/1041076938.db2.gz ZJUHJYSAPYWBJK-AWEZNQCLSA-N 1 0 348.830 4.021 20 5 EIBDRO CO[C@@](C)(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000462914996 1041096853 /nfs/dbraw/zinc/09/68/53/1041096853.db2.gz SLLXMCDXEUUGKC-SFHVURJKSA-N 1 0 346.452 4.228 20 5 EIBDRO C[C@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000436310527 1041098152 /nfs/dbraw/zinc/09/81/52/1041098152.db2.gz RMNMNECFZPGYJX-KXBFYZLASA-N 1 0 331.460 4.043 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000538194417 1041158551 /nfs/dbraw/zinc/15/85/51/1041158551.db2.gz JNCQZUGOWWQDKF-HUUCEWRRSA-N 1 0 336.395 4.192 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000484281297 1041183356 /nfs/dbraw/zinc/18/33/56/1041183356.db2.gz JYIRCKUYPZPPBA-CJNGLKHVSA-N 1 0 345.830 4.178 20 5 EIBDRO CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000540171213 1041214064 /nfs/dbraw/zinc/21/40/64/1041214064.db2.gz OJCMPFYXCKIYND-AWEZNQCLSA-N 1 0 344.411 4.243 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425554044 1041250650 /nfs/dbraw/zinc/25/06/50/1041250650.db2.gz NVNCMZAVJALWFT-BEFAXECRSA-N 1 0 344.455 4.245 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1cc(F)ccc1F)C1CC1 ZINC000484477690 1041271144 /nfs/dbraw/zinc/27/11/44/1041271144.db2.gz YHMXXMDNEHMFNH-SFHVURJKSA-N 1 0 346.377 4.026 20 5 EIBDRO C[C@H](CCOCc1ccccc1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000554721930 1041363411 /nfs/dbraw/zinc/36/34/11/1041363411.db2.gz UQZIPLQNDOATCT-CGICMKJESA-N 1 0 340.423 4.193 20 5 EIBDRO Cc1cc(N2CC[C@@H](C(F)(F)F)[C@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000480556019 1041388476 /nfs/dbraw/zinc/38/84/76/1041388476.db2.gz PQLUYVPELASYED-ZWNOBZJWSA-N 1 0 339.317 4.229 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000516089456 1041400174 /nfs/dbraw/zinc/40/01/74/1041400174.db2.gz XHVFHDRUABTSEJ-KUHUBIRLSA-N 1 0 348.406 4.119 20 5 EIBDRO Cc1ccccc1C[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000516110892 1041415622 /nfs/dbraw/zinc/41/56/22/1041415622.db2.gz ATZUYJQXBDOEQS-HNNXBMFYSA-N 1 0 337.423 4.148 20 5 EIBDRO CC[C@H](C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)OC ZINC000516217102 1041467103 /nfs/dbraw/zinc/46/71/03/1041467103.db2.gz CODWUYXQGPAZPN-CHWSQXEVSA-N 1 0 334.441 4.399 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516313813 1041515161 /nfs/dbraw/zinc/51/51/61/1041515161.db2.gz XBNFHWPBCWYCRL-KHDYIWLOSA-N 1 0 344.386 4.087 20 5 EIBDRO Cc1nc(C)c([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000516340188 1041531420 /nfs/dbraw/zinc/53/14/20/1041531420.db2.gz LTWDYLYMBIVJMK-JTQLQIEISA-N 1 0 344.440 4.043 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000540645961 1041585931 /nfs/dbraw/zinc/58/59/31/1041585931.db2.gz RNTJWMCFSZRPQX-RHVWCWMTSA-N 1 0 344.386 4.113 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000540645959 1041585957 /nfs/dbraw/zinc/58/59/57/1041585957.db2.gz RNTJWMCFSZRPQX-DLNNWJJFSA-N 1 0 344.386 4.113 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000437076893 1041626192 /nfs/dbraw/zinc/62/61/92/1041626192.db2.gz NFAJAJBPPSOCRE-SUMWQHHRSA-N 1 0 344.386 4.168 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1c2ccc(F)cc2O[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000557447110 1041753948 /nfs/dbraw/zinc/75/39/48/1041753948.db2.gz YAZLHRHFEVRWSP-PBQZTSCYSA-N 1 0 330.359 4.297 20 5 EIBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000460351949 1041816577 /nfs/dbraw/zinc/81/65/77/1041816577.db2.gz BLPSPJRPXZPCAK-BBRMVZONSA-N 1 0 344.415 4.093 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000460351303 1041818254 /nfs/dbraw/zinc/81/82/54/1041818254.db2.gz AHVJUVHTSUKDKZ-MOPGFXCFSA-N 1 0 328.387 4.202 20 5 EIBDRO COc1cc(C[N@@H+]2CC[C@H](c3ccccc3C)C2)c([N+](=O)[O-])cc1F ZINC000464097235 1041861617 /nfs/dbraw/zinc/86/16/17/1041861617.db2.gz FNGDJRPMUQGNFT-AWEZNQCLSA-N 1 0 344.386 4.040 20 5 EIBDRO CCCC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCC1 ZINC000541592928 1042026593 /nfs/dbraw/zinc/02/65/93/1042026593.db2.gz IMDLVWLWKGDGBA-QGZVFWFLSA-N 1 0 347.459 4.180 20 5 EIBDRO C[N@H+](CC[C@H]1CCCO1)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000467366367 1042050087 /nfs/dbraw/zinc/05/00/87/1042050087.db2.gz AFKQZBXVQXMOFD-CQSZACIVSA-N 1 0 346.452 4.324 20 5 EIBDRO COC1CCC(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000541738393 1042088949 /nfs/dbraw/zinc/08/89/49/1042088949.db2.gz KYSDWMMBUBTXEP-XUJQIHCRSA-N 1 0 346.471 4.101 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000541770709 1042108258 /nfs/dbraw/zinc/10/82/58/1042108258.db2.gz IPGVRSXIKIBNAT-QGZVFWFLSA-N 1 0 346.452 4.146 20 5 EIBDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000464731288 1042135644 /nfs/dbraw/zinc/13/56/44/1042135644.db2.gz GXRHDSPFUVMPHE-BBRMVZONSA-N 1 0 344.415 4.045 20 5 EIBDRO C[C@H](CC1CCCCC1)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425984167 1042146268 /nfs/dbraw/zinc/14/62/68/1042146268.db2.gz YYPCLFCEQUFLGG-OAHLLOKOSA-N 1 0 334.464 4.035 20 5 EIBDRO CSCc1cccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000438372507 1042159871 /nfs/dbraw/zinc/15/98/71/1042159871.db2.gz OHSPZIVVWWOLSE-WEVVVXLNSA-N 1 0 328.437 4.261 20 5 EIBDRO CCC[C@H]([NH2+]Cc1cccnc1OCC)c1cccc([N+](=O)[O-])c1 ZINC000151199066 1042169106 /nfs/dbraw/zinc/16/91/06/1042169106.db2.gz BAKGHVUVLKPKFY-KRWDZBQOSA-N 1 0 329.400 4.020 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)c(Cl)c1 ZINC000542000346 1042225709 /nfs/dbraw/zinc/22/57/09/1042225709.db2.gz QFUHPFVWJOZKRZ-UHFFFAOYSA-N 1 0 346.814 4.333 20 5 EIBDRO CO[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(C)(C)C ZINC000464999051 1042271063 /nfs/dbraw/zinc/27/10/63/1042271063.db2.gz BCZQASLQWDXMJV-KRWDZBQOSA-N 1 0 348.468 4.474 20 5 EIBDRO Cc1cc(N2CCc3ccsc3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542118762 1042297278 /nfs/dbraw/zinc/29/72/78/1042297278.db2.gz ZXMLZVVMTGEUTF-UHFFFAOYSA-N 1 0 325.393 4.076 20 5 EIBDRO C[C@@H](Cc1ccsc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000542163612 1042310846 /nfs/dbraw/zinc/31/08/46/1042310846.db2.gz AQDHEHIJHDWZPU-AWEZNQCLSA-N 1 0 346.452 4.131 20 5 EIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000542320319 1042387578 /nfs/dbraw/zinc/38/75/78/1042387578.db2.gz GBCBAMHJYRXUEL-OCCSQVGLSA-N 1 0 344.415 4.074 20 5 EIBDRO CCC[N@H+](C)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000506449964 1042436472 /nfs/dbraw/zinc/43/64/72/1042436472.db2.gz BVIOCRLGMASAPD-UHFFFAOYSA-N 1 0 344.411 4.024 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506482774 1042497528 /nfs/dbraw/zinc/49/75/28/1042497528.db2.gz UOXDJYWZXZCNFT-FGTMMUONSA-N 1 0 345.487 4.242 20 5 EIBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000446974784 1042501129 /nfs/dbraw/zinc/50/11/29/1042501129.db2.gz LTENSNQEQGBUKW-ZDUSSCGKSA-N 1 0 330.350 4.493 20 5 EIBDRO CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000153126864 1042527338 /nfs/dbraw/zinc/52/73/38/1042527338.db2.gz OQYOLPCWJZDBSK-AWEZNQCLSA-N 1 0 344.411 4.243 20 5 EIBDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000518459458 1042531865 /nfs/dbraw/zinc/53/18/65/1042531865.db2.gz LNKDXGVPPXWGAW-CYBMUJFWSA-N 1 0 334.803 4.320 20 5 EIBDRO CCOc1cc(CN(C)Cc2ccc(Cl)s2)ccc1[N+](=O)[O-] ZINC000492377204 1042625618 /nfs/dbraw/zinc/62/56/18/1042625618.db2.gz PMPYKKLPUXTQBW-UHFFFAOYSA-N 1 0 340.832 4.340 20 5 EIBDRO CCOc1cc(C[N@H+](CC)[C@H](C)c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000492789823 1042749876 /nfs/dbraw/zinc/74/98/76/1042749876.db2.gz NEGHGQOWWGCTFT-CQSZACIVSA-N 1 0 344.411 4.282 20 5 EIBDRO COc1cc(C[NH2+][C@@H](C)C(C)(C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492935935 1042770145 /nfs/dbraw/zinc/77/01/45/1042770145.db2.gz IHWXEQWQTNZWFA-AWEZNQCLSA-N 1 0 328.412 4.059 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2c[nH]c3cc(F)ccc23)cc1Cl ZINC000761520752 1042875269 /nfs/dbraw/zinc/87/52/69/1042875269.db2.gz FKWLPFQBEWICNG-UHFFFAOYSA-N 1 0 347.777 4.201 20 5 EIBDRO COc1ccc([C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000441535011 1042878158 /nfs/dbraw/zinc/87/81/58/1042878158.db2.gz OKBOXZCWPPBQGD-GOEBONIOSA-N 1 0 326.396 4.154 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000152534837 1042890198 /nfs/dbraw/zinc/89/01/98/1042890198.db2.gz IUBGNLWNEFBXHQ-IAGOWNOFSA-N 1 0 339.439 4.080 20 5 EIBDRO CCC(C)(C)[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000441653931 1042957703 /nfs/dbraw/zinc/95/77/03/1042957703.db2.gz CHYXUFRKFPZVAD-QGZVFWFLSA-N 1 0 347.459 4.132 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCOc3ccccc32)cccc1[N+](=O)[O-] ZINC000133566470 1043276110 /nfs/dbraw/zinc/27/61/10/1043276110.db2.gz VMQSHLHFIOKXEL-PBHICJAKSA-N 1 0 326.396 4.468 20 5 EIBDRO CC1CC[NH+](C2CCC(Nc3cccc(F)c3[N+](=O)[O-])CC2)CC1 ZINC000301762761 1043347685 /nfs/dbraw/zinc/34/76/85/1043347685.db2.gz DPZMSVBBVUCGFL-UHFFFAOYSA-N 1 0 335.423 4.189 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(c3ccc(Cl)cc3)CCC2)cc1 ZINC000609195406 1043446360 /nfs/dbraw/zinc/44/63/60/1043446360.db2.gz GPPPDIOGJKCLQC-UHFFFAOYSA-N 1 0 330.815 4.460 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000521067875 1043512445 /nfs/dbraw/zinc/51/24/45/1043512445.db2.gz DHEUWYLTTQQIIA-DLBZAZTESA-N 1 0 342.370 4.225 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)cc(C(F)(F)F)c1 ZINC000494511104 1043527313 /nfs/dbraw/zinc/52/73/13/1043527313.db2.gz NPBMBDWCIFTZIL-HUUCEWRRSA-N 1 0 328.334 4.282 20 5 EIBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4CCC[C@@H]4C3)CC2)cc1 ZINC000766190968 1043693493 /nfs/dbraw/zinc/69/34/93/1043693493.db2.gz JNNYPBCQFKDZRY-JFIYKMOQSA-N 1 0 343.471 4.122 20 5 EIBDRO COc1ccc([C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000172018254 1043703583 /nfs/dbraw/zinc/70/35/83/1043703583.db2.gz JAXINQXOFMYMDM-SFHVURJKSA-N 1 0 346.814 4.498 20 5 EIBDRO CC[NH+](CC)CCC[C@@H](C)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731205601 1043717887 /nfs/dbraw/zinc/71/78/87/1043717887.db2.gz BDVXXBFCMNMFLW-GFCCVEGCSA-N 1 0 336.461 4.127 20 5 EIBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000521347755 1043722914 /nfs/dbraw/zinc/72/29/14/1043722914.db2.gz HFHDOGZSCKHWEX-WBAXXEDZSA-N 1 0 332.444 4.156 20 5 EIBDRO Cc1c([C@H](C)[NH2+]CCCNc2ccccc2F)cccc1[N+](=O)[O-] ZINC000542488441 1043757148 /nfs/dbraw/zinc/75/71/48/1043757148.db2.gz GKKFDXLGYLIFTG-AWEZNQCLSA-N 1 0 331.391 4.195 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)cc1[N+](=O)[O-] ZINC000442878735 1043878936 /nfs/dbraw/zinc/87/89/36/1043878936.db2.gz UOXCROHUZPSFTJ-HIFRSBDPSA-N 1 0 335.407 4.203 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192357933 1043915193 /nfs/dbraw/zinc/91/51/93/1043915193.db2.gz JACALXXEFOKFHY-ACJLOTCBSA-N 1 0 326.396 4.337 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1cccc(-n2ccnc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173453757 1043974837 /nfs/dbraw/zinc/97/48/37/1043974837.db2.gz SONGFASTMBKZIP-HUUCEWRRSA-N 1 0 336.395 4.192 20 5 EIBDRO CC[C@@H]([NH2+]CCCOCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000358060616 1044137570 /nfs/dbraw/zinc/13/75/70/1044137570.db2.gz KNALNRLJZJTPFI-LJQANCHMSA-N 1 0 328.412 4.242 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000522053130 1044183882 /nfs/dbraw/zinc/18/38/82/1044183882.db2.gz HDUXJRFIVIGECX-CYBMUJFWSA-N 1 0 341.386 4.417 20 5 EIBDRO C[C@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000246407848 1044303000 /nfs/dbraw/zinc/30/30/00/1044303000.db2.gz MEYGECRHCIFTTP-YRNRMSPPSA-N 1 0 340.423 4.413 20 5 EIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000733797067 1044313315 /nfs/dbraw/zinc/31/33/15/1044313315.db2.gz OBURUGHMCRROFO-UHFFFAOYSA-N 1 0 332.350 4.080 20 5 EIBDRO CCC(CC)(CC)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000081156691 1044325258 /nfs/dbraw/zinc/32/52/58/1044325258.db2.gz XIANYXVBWUFBKF-UHFFFAOYSA-N 1 0 331.416 4.351 20 5 EIBDRO CCC[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000246564538 1044332561 /nfs/dbraw/zinc/33/25/61/1044332561.db2.gz NLPBRWYHTWKFTP-ZIAGYGMSSA-N 1 0 344.415 4.218 20 5 EIBDRO C[C@@H](C1CCCCC1)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000282351757 1044531107 /nfs/dbraw/zinc/53/11/07/1044531107.db2.gz CQSUOKCJUDJULR-ZDUSSCGKSA-N 1 0 344.415 4.045 20 5 EIBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494970649 1044550050 /nfs/dbraw/zinc/55/00/50/1044550050.db2.gz OQFMAGIQOBBCDX-SXLOBPIMSA-N 1 0 340.423 4.089 20 5 EIBDRO CC(C)c1ccc(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000466465622 1044552577 /nfs/dbraw/zinc/55/25/77/1044552577.db2.gz NNLWXPAOXMYRDH-RTBURBONSA-N 1 0 332.444 4.013 20 5 EIBDRO CC[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000470443671 1044557041 /nfs/dbraw/zinc/55/70/41/1044557041.db2.gz KVFZXNKMHGMXHR-BPQIPLTHSA-N 1 0 334.460 4.477 20 5 EIBDRO C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000543419364 1044560828 /nfs/dbraw/zinc/56/08/28/1044560828.db2.gz UQUSOGCQUHWHRQ-VXIBKDFQSA-N 1 0 346.471 4.101 20 5 EIBDRO CCC(CC)(CO)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494987235 1044572840 /nfs/dbraw/zinc/57/28/40/1044572840.db2.gz IJYNJXLDWQFPHP-IBGZPJMESA-N 1 0 342.439 4.073 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000543427064 1044584353 /nfs/dbraw/zinc/58/43/53/1044584353.db2.gz RGWPHZJEFSAWND-CYBMUJFWSA-N 1 0 332.375 4.210 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](SC)C(C)(C)C)cc1[N+](=O)[O-] ZINC000543427120 1044585505 /nfs/dbraw/zinc/58/55/05/1044585505.db2.gz FIKDNGCLMSUQRN-LRDDRELGSA-N 1 0 340.489 4.422 20 5 EIBDRO Cc1ccc(CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000474147935 1044686170 /nfs/dbraw/zinc/68/61/70/1044686170.db2.gz SXSVPLONUVDRKJ-UHFFFAOYSA-N 1 0 327.428 4.141 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000734836382 1044695178 /nfs/dbraw/zinc/69/51/78/1044695178.db2.gz CUTAHDIRUXOXGI-ZDUSSCGKSA-N 1 0 334.778 4.377 20 5 EIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000735168126 1044755584 /nfs/dbraw/zinc/75/55/84/1044755584.db2.gz INMMBBBHWYPVPT-UHFFFAOYSA-N 1 0 332.350 4.080 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+](CCCCO)C3CC3)s2)cc1 ZINC000093383046 1044834843 /nfs/dbraw/zinc/83/48/43/1044834843.db2.gz AMQODBOOBXZDBK-UHFFFAOYSA-N 1 0 346.452 4.060 20 5 EIBDRO CC(C)[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCC1 ZINC000093608247 1044844911 /nfs/dbraw/zinc/84/49/11/1044844911.db2.gz HOEZRYSQNUERQB-UHFFFAOYSA-N 1 0 331.441 4.481 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](C)COCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000389953062 1044846945 /nfs/dbraw/zinc/84/69/45/1044846945.db2.gz XZUVHUCCSMHLAQ-JKSUJKDBSA-N 1 0 328.412 4.098 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)CCCc2cccnc2)cccc1[N+](=O)[O-] ZINC000414158742 1044850674 /nfs/dbraw/zinc/85/06/74/1044850674.db2.gz UUQWYUICDQLYKX-HOCLYGCPSA-N 1 0 327.428 4.360 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000154960803 1044851977 /nfs/dbraw/zinc/85/19/77/1044851977.db2.gz QUCHUVHGIOKEIE-QAPCUYQASA-N 1 0 343.427 4.066 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000392080199 1045013900 /nfs/dbraw/zinc/01/39/00/1045013900.db2.gz UCRIVOOEFWKSBQ-UHFFFAOYSA-N 1 0 342.292 4.085 20 5 EIBDRO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCO1 ZINC000467561980 1045020328 /nfs/dbraw/zinc/02/03/28/1045020328.db2.gz IEDSBUORIQQHPH-CQSZACIVSA-N 1 0 346.452 4.324 20 5 EIBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000392372853 1045040409 /nfs/dbraw/zinc/04/04/09/1045040409.db2.gz IJXBTQQUILGWQG-INIZCTEOSA-N 1 0 348.834 4.138 20 5 EIBDRO CCc1cnc(CN(C)c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)s1 ZINC000302066117 1045159478 /nfs/dbraw/zinc/15/94/78/1045159478.db2.gz AWLQGXRODVZXSR-UHFFFAOYSA-N 1 0 342.424 4.107 20 5 EIBDRO CC(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000131699249 1045250346 /nfs/dbraw/zinc/25/03/46/1045250346.db2.gz XGNZXCYQNXEYLJ-UHFFFAOYSA-N 1 0 335.448 4.057 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000611268262 1045270179 /nfs/dbraw/zinc/27/01/79/1045270179.db2.gz DXBPAWNVBIKVBN-HUQFFUELSA-N 1 0 338.407 4.072 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](c1cnn(C)c1)C(C)(C)C ZINC000611409285 1045302544 /nfs/dbraw/zinc/30/25/44/1045302544.db2.gz IOLYYIQDHUPQFX-KBXCAEBGSA-N 1 0 344.459 4.026 20 5 EIBDRO CC[NH+](CC)[C@H](CNc1sccc1[N+](=O)[O-])c1ccsc1 ZINC000611411502 1045304305 /nfs/dbraw/zinc/30/43/05/1045304305.db2.gz HSDWDZRDGRSLMV-CYBMUJFWSA-N 1 0 325.459 4.213 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCCCO1 ZINC000611471785 1045315491 /nfs/dbraw/zinc/31/54/91/1045315491.db2.gz MIMFBTCLIGEHMR-CXAGYDPISA-N 1 0 346.452 4.371 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCCCO1 ZINC000611471800 1045315562 /nfs/dbraw/zinc/31/55/62/1045315562.db2.gz NWNGHYAAIZVEMW-DYVFJYSZSA-N 1 0 346.452 4.371 20 5 EIBDRO Cc1nc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c(C)s1 ZINC000611521527 1045319192 /nfs/dbraw/zinc/31/91/92/1045319192.db2.gz PEGSJMHAHHYQSV-SECBINFHSA-N 1 0 339.848 4.215 20 5 EIBDRO CC(=O)c1ccc(SCC[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000193745340 1045459202 /nfs/dbraw/zinc/45/92/02/1045459202.db2.gz OCVLAPDGRNTILV-UHFFFAOYSA-N 1 0 344.436 4.022 20 5 EIBDRO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000767829995 1045649991 /nfs/dbraw/zinc/64/99/91/1045649991.db2.gz GYHWXALZQOGTIC-INIZCTEOSA-N 1 0 348.830 4.021 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609233599 1045698792 /nfs/dbraw/zinc/69/87/92/1045698792.db2.gz GSPJKJVQTHZASV-DNVCBOLYSA-N 1 0 326.396 4.119 20 5 EIBDRO O=[N+]([O-])c1cc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)ccc1Cl ZINC000768555248 1045818882 /nfs/dbraw/zinc/81/88/82/1045818882.db2.gz PBKHQCIBPIECSQ-HNNXBMFYSA-N 1 0 338.835 4.172 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)cc1Cl ZINC000792192030 1045876691 /nfs/dbraw/zinc/87/66/91/1045876691.db2.gz JJVOPWKLTKHMRM-CQSZACIVSA-N 1 0 338.835 4.220 20 5 EIBDRO CC[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000191852774 1045932747 /nfs/dbraw/zinc/93/27/47/1045932747.db2.gz LXXKNYBIHHUPGO-IHPCNDPISA-N 1 0 340.423 4.413 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]CC(C)(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170295776 1045979651 /nfs/dbraw/zinc/97/96/51/1045979651.db2.gz FABJUZFFPUWKLS-OAHLLOKOSA-N 1 0 342.439 4.102 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001170296943 1045981662 /nfs/dbraw/zinc/98/16/62/1045981662.db2.gz IKGYGPBDIGLAML-UGSOOPFHSA-N 1 0 346.402 4.414 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]C(C)(C)c2ccccc2F)c([N+](=O)[O-])c1 ZINC001170318653 1045995200 /nfs/dbraw/zinc/99/52/00/1045995200.db2.gz QWQQPPGFNUDVIW-ZDUSSCGKSA-N 1 0 346.402 4.198 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc3ccoc3c2)c([N+](=O)[O-])c1 ZINC001170318951 1045995580 /nfs/dbraw/zinc/99/55/80/1045995580.db2.gz TUGLPCWEQIZYLD-ZDUSSCGKSA-N 1 0 340.379 4.070 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc3occc3c2)c([N+](=O)[O-])c1 ZINC001170310423 1046007782 /nfs/dbraw/zinc/00/77/82/1046007782.db2.gz VRYRJVYXWBDWOG-ZDUSSCGKSA-N 1 0 340.379 4.070 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc3occc3c2)c([N+](=O)[O-])c1 ZINC001170310422 1046008586 /nfs/dbraw/zinc/00/85/86/1046008586.db2.gz VRYRJVYXWBDWOG-CYBMUJFWSA-N 1 0 340.379 4.070 20 5 EIBDRO COc1ccc(C[C@H](C)[N@H+](C)[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC001170355585 1046010666 /nfs/dbraw/zinc/01/06/66/1046010666.db2.gz KVTFLXKAVYOARK-LIRRHRJNSA-N 1 0 340.423 4.154 20 5 EIBDRO COc1ccc(C[C@H](C)[N@H+](C)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC001170355583 1046011782 /nfs/dbraw/zinc/01/17/82/1046011782.db2.gz KVTFLXKAVYOARK-IFXJQAMLSA-N 1 0 340.423 4.154 20 5 EIBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000792869342 1046081767 /nfs/dbraw/zinc/08/17/67/1046081767.db2.gz BMWZGGBWQKGKOP-QGZVFWFLSA-N 1 0 347.346 4.129 20 5 EIBDRO Cc1ccc(C2=CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)cc1 ZINC000916996040 1046546609 /nfs/dbraw/zinc/54/66/09/1046546609.db2.gz UKCIALRTWUSQAT-UHFFFAOYSA-N 1 0 326.371 4.332 20 5 EIBDRO CC(C)c1ccc(C[N@H+](C)[C@@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000536670695 1046651426 /nfs/dbraw/zinc/65/14/26/1046651426.db2.gz BAYPQVXZLVQKGR-IBGZPJMESA-N 1 0 342.439 4.274 20 5 EIBDRO CCSCC[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000536671786 1046656912 /nfs/dbraw/zinc/65/69/12/1046656912.db2.gz YOJUFNORQJHDTB-NSHDSACASA-N 1 0 348.415 4.160 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc3ncccc3c2)C2CC2)c1 ZINC000154284869 1046717871 /nfs/dbraw/zinc/71/78/71/1046717871.db2.gz SPEQBVVJORXLNU-UHFFFAOYSA-N 1 0 333.391 4.308 20 5 EIBDRO COCC[N@H+](Cc1ccc(C)c(C)c1)Cc1cccc([N+](=O)[O-])c1C ZINC000917151506 1046799159 /nfs/dbraw/zinc/79/91/59/1046799159.db2.gz QDYYNDBGSAYZQL-UHFFFAOYSA-N 1 0 342.439 4.169 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000459652349 1046837358 /nfs/dbraw/zinc/83/73/58/1046837358.db2.gz QIDKHJRPBQGZTJ-STQMWFEESA-N 1 0 345.468 4.212 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C[C@@H](O)c1cccs1 ZINC000786821133 1046875031 /nfs/dbraw/zinc/87/50/31/1046875031.db2.gz OPEBLNHQPDOULW-BYPLOIIRSA-N 1 0 346.452 4.161 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C[C@H](O)c1cccs1 ZINC000786821139 1046875043 /nfs/dbraw/zinc/87/50/43/1046875043.db2.gz OPEBLNHQPDOULW-RVUPLZSRSA-N 1 0 346.452 4.161 20 5 EIBDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000786860427 1046876187 /nfs/dbraw/zinc/87/61/87/1046876187.db2.gz IHWQQZDGGUXFMK-SJCJKPOMSA-N 1 0 334.803 4.114 20 5 EIBDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746671959 1046983514 /nfs/dbraw/zinc/98/35/14/1046983514.db2.gz CTBLYECDGKWXSA-CYBMUJFWSA-N 1 0 346.814 4.246 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000787406747 1047006646 /nfs/dbraw/zinc/00/66/46/1047006646.db2.gz KNMACVJWHNNKTP-MDWZMJQESA-N 1 0 331.803 4.179 20 5 EIBDRO C[N@@H+]1CCCC[C@H]1CCSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000787999383 1047078630 /nfs/dbraw/zinc/07/86/30/1047078630.db2.gz NQXHSMSDZYRHHR-NSHDSACASA-N 1 0 337.470 4.171 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)cc1F ZINC000788482836 1047198182 /nfs/dbraw/zinc/19/81/82/1047198182.db2.gz YKMQJKDVEVLLQR-UHFFFAOYSA-N 1 0 332.350 4.285 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788643935 1047245658 /nfs/dbraw/zinc/24/56/58/1047245658.db2.gz QZGZLIVQFBTLHW-HWPZZCPQSA-N 1 0 331.803 4.169 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000788619657 1047251715 /nfs/dbraw/zinc/25/17/15/1047251715.db2.gz FGUVCLTZWWVAGE-BEVDRBHNSA-N 1 0 342.439 4.312 20 5 EIBDRO Cc1cc([C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C2CC2)ccc1F ZINC000788685954 1047263737 /nfs/dbraw/zinc/26/37/37/1047263737.db2.gz KZYMFEJMHIAMCA-CWTRNNRKSA-N 1 0 343.402 4.426 20 5 EIBDRO Cc1oc2ccccc2c1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788752961 1047289017 /nfs/dbraw/zinc/28/90/17/1047289017.db2.gz YFVCHGBJPQYMEL-NSHDSACASA-N 1 0 325.368 4.082 20 5 EIBDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000788825209 1047321248 /nfs/dbraw/zinc/32/12/48/1047321248.db2.gz WWUNILPGEDNAFP-SGTLLEGYSA-N 1 0 331.391 4.364 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)c3ccc[nH]3)o2)c([N+](=O)[O-])c1 ZINC000760445290 1047372408 /nfs/dbraw/zinc/37/24/08/1047372408.db2.gz LTFJTTVYNVNKKM-LBPRGKRZSA-N 1 0 341.367 4.042 20 5 EIBDRO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000609280890 1047482503 /nfs/dbraw/zinc/48/25/03/1047482503.db2.gz UMQVXXWRCPJUBV-SFHVURJKSA-N 1 0 326.396 4.331 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](c2cccnc2)C2CC2)o1 ZINC000533920159 1047735068 /nfs/dbraw/zinc/73/50/68/1047735068.db2.gz WMRIVNLULKDUAW-HXUWFJFHSA-N 1 0 349.390 4.491 20 5 EIBDRO C/C=C(\C)C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001143944841 1048311089 /nfs/dbraw/zinc/31/10/89/1048311089.db2.gz GOERAQLJPJWJKR-KRYLTAMFSA-N 1 0 343.386 4.470 20 5 EIBDRO O[C@H](CC[NH2+]Cc1c2ccccc2cc2ccccc21)C(F)(F)F ZINC000809743208 1048513105 /nfs/dbraw/zinc/51/31/05/1048513105.db2.gz MRMZWHPZYDKXON-GOSISDBHSA-N 1 0 333.353 4.396 20 5 EIBDRO Cc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000815579422 1048518789 /nfs/dbraw/zinc/51/87/89/1048518789.db2.gz MSANFKYFUKOAIM-BFUOFWGJSA-N 1 0 325.412 4.287 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)cc1Cl ZINC000809790406 1048533961 /nfs/dbraw/zinc/53/39/61/1048533961.db2.gz FDDSXNSHLFZPNY-CRAIPNDOSA-N 1 0 346.814 4.258 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627879 1048550330 /nfs/dbraw/zinc/55/03/30/1048550330.db2.gz MAICSNHYOQZXEI-NSHDSACASA-N 1 0 329.375 4.044 20 5 EIBDRO Cc1c(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC001170593409 1048594374 /nfs/dbraw/zinc/59/43/74/1048594374.db2.gz LHPBSAZCFYCEBH-KRWDZBQOSA-N 1 0 346.814 4.210 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000846038097 1048802157 /nfs/dbraw/zinc/80/21/57/1048802157.db2.gz PBAPQPGOONTAOP-GECXOHMQSA-N 1 0 326.799 4.292 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)o1 ZINC000846108853 1048814471 /nfs/dbraw/zinc/81/44/71/1048814471.db2.gz RYFBXHQZBLOMEE-KRWDZBQOSA-N 1 0 348.349 4.476 20 5 EIBDRO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001171266910 1049002311 /nfs/dbraw/zinc/00/23/11/1049002311.db2.gz LFPDCKWJYANVTP-QGZVFWFLSA-N 1 0 340.423 4.242 20 5 EIBDRO C[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccncc1 ZINC000811482714 1049080649 /nfs/dbraw/zinc/08/06/49/1049080649.db2.gz PXKHNKKIGDIFQD-JTQLQIEISA-N 1 0 340.210 4.190 20 5 EIBDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000811486769 1049082843 /nfs/dbraw/zinc/08/28/43/1049082843.db2.gz QAQOLSVLYZPXPN-TZMCWYRMSA-N 1 0 347.242 4.195 20 5 EIBDRO CCC(CC)[NH+]1CCC(Nc2nc(C)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001161097835 1049292276 /nfs/dbraw/zinc/29/22/76/1049292276.db2.gz DNBXRZXMTLGHLE-UHFFFAOYSA-N 1 0 340.855 4.017 20 5 EIBDRO Cc1c(C[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000609916541 1049395607 /nfs/dbraw/zinc/39/56/07/1049395607.db2.gz WOKHAKDQRYAPKR-GUYCJALGSA-N 1 0 328.387 4.420 20 5 EIBDRO C[C@@H]1C[C@@H](N(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000609964758 1049422173 /nfs/dbraw/zinc/42/21/73/1049422173.db2.gz CRZSZTJZKADTMR-AEFFLSMTSA-N 1 0 339.439 4.084 20 5 EIBDRO CCc1ccc([C@H]2CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)cc1 ZINC001170684207 1049547013 /nfs/dbraw/zinc/54/70/13/1049547013.db2.gz VUXOHSDSLZQTKG-INIZCTEOSA-N 1 0 328.387 4.286 20 5 EIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)C1CCCCC1 ZINC001171390277 1049603198 /nfs/dbraw/zinc/60/31/98/1049603198.db2.gz JVSVXFCYOVUBHG-LLVKDONJSA-N 1 0 341.249 4.416 20 5 EIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)C1CCCCC1 ZINC001171390278 1049603525 /nfs/dbraw/zinc/60/35/25/1049603525.db2.gz JVSVXFCYOVUBHG-NSHDSACASA-N 1 0 341.249 4.416 20 5 EIBDRO CC(C)([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000037128959 1049660702 /nfs/dbraw/zinc/66/07/02/1049660702.db2.gz LZRPPGRYOYRKQP-UHFFFAOYSA-N 1 0 349.228 4.382 20 5 EIBDRO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001171457717 1049712447 /nfs/dbraw/zinc/71/24/47/1049712447.db2.gz LNWRKSWCRIJRMM-BBRMVZONSA-N 1 0 347.415 4.151 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000615721958 1049765262 /nfs/dbraw/zinc/76/52/62/1049765262.db2.gz PDAIFCPDKQUJDJ-VHUCWBOISA-N 1 0 332.444 4.183 20 5 EIBDRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000615802280 1049780796 /nfs/dbraw/zinc/78/07/96/1049780796.db2.gz IMSKPNSVAZFCIX-AWEZNQCLSA-N 1 0 346.349 4.027 20 5 EIBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000617210278 1049967906 /nfs/dbraw/zinc/96/79/06/1049967906.db2.gz IGWWMBQHCOMKCW-KRWDZBQOSA-N 1 0 342.395 4.036 20 5 EIBDRO Cc1ccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1F ZINC001172897595 1050200502 /nfs/dbraw/zinc/20/05/02/1050200502.db2.gz AUGLOHYHXCOPSK-KRWDZBQOSA-N 1 0 328.387 4.080 20 5 EIBDRO [NH3+]Cc1cccc2c1ccn2[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897341 1050200591 /nfs/dbraw/zinc/20/05/91/1050200591.db2.gz ZKYMXGHFTBCXPS-QGZVFWFLSA-N 1 0 335.407 4.128 20 5 EIBDRO Cn1c(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc2ccccc21 ZINC001172900000 1050203209 /nfs/dbraw/zinc/20/32/09/1050203209.db2.gz RCESSMRECCOCCL-GOSISDBHSA-N 1 0 349.434 4.124 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc3ccccc3n1)CC2 ZINC001172897954 1050203954 /nfs/dbraw/zinc/20/39/54/1050203954.db2.gz FCKJHMXYXVDSKF-SFHVURJKSA-N 1 0 347.418 4.180 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cncc3ccccc31)CC2 ZINC001172907277 1050206319 /nfs/dbraw/zinc/20/63/19/1050206319.db2.gz ROEQFNXLJQUROD-LJQANCHMSA-N 1 0 347.418 4.180 20 5 EIBDRO CC(C)[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccnc1 ZINC001172910448 1050207550 /nfs/dbraw/zinc/20/75/50/1050207550.db2.gz BIICCQNZBMFNKU-UYAOXDASSA-N 1 0 339.439 4.224 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cncc3ccccc31)CC2 ZINC001172907276 1050207609 /nfs/dbraw/zinc/20/76/09/1050207609.db2.gz ROEQFNXLJQUROD-IBGZPJMESA-N 1 0 347.418 4.180 20 5 EIBDRO C[C@@H](CCc1ccccc1)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896284 1050230954 /nfs/dbraw/zinc/23/09/54/1050230954.db2.gz DDLGRLIUHOUFFT-JXFKEZNVSA-N 1 0 338.451 4.453 20 5 EIBDRO [NH2+]=C(N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C1CCCCCC1 ZINC001172913623 1050231215 /nfs/dbraw/zinc/23/12/15/1050231215.db2.gz XVNZRZAQZQZXBT-KRWDZBQOSA-N 1 0 329.444 4.379 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccc(Cl)c1)CC2 ZINC001172896105 1050232565 /nfs/dbraw/zinc/23/25/65/1050232565.db2.gz LXXPPLKOPVVCSO-KRWDZBQOSA-N 1 0 330.815 4.285 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)c1cccc(F)c1 ZINC001177875334 1050309519 /nfs/dbraw/zinc/30/95/19/1050309519.db2.gz JGACTLJHFUIVCI-UHFFFAOYSA-N 1 0 330.403 4.418 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H](C)c2ccccc2)c1F ZINC001173175808 1050335721 /nfs/dbraw/zinc/33/57/21/1050335721.db2.gz SYWVINQWFMRHPG-KBPBESRZSA-N 1 0 346.402 4.067 20 5 EIBDRO CCC1([NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CCCCC1 ZINC001173191517 1050337927 /nfs/dbraw/zinc/33/79/27/1050337927.db2.gz LWZUMEIDZFYNJF-CYBMUJFWSA-N 1 0 338.423 4.376 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC001173216622 1050350765 /nfs/dbraw/zinc/35/07/65/1050350765.db2.gz DPHCPQMYZSNAGF-IFXJQAMLSA-N 1 0 328.412 4.275 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=[NH2+])C12CC3CC(CC(C3)C1)C2 ZINC001173215399 1050351371 /nfs/dbraw/zinc/35/13/71/1050351371.db2.gz WDDIUASRNZITMM-SFAMEIPESA-N 1 0 341.455 4.309 20 5 EIBDRO COc1ccc([C@H]([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC001173220060 1050352421 /nfs/dbraw/zinc/35/24/21/1050352421.db2.gz SJLNXCHEMDKEQF-VBKZILBWSA-N 1 0 340.423 4.275 20 5 EIBDRO CC(C)C[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001173222064 1050354486 /nfs/dbraw/zinc/35/44/86/1050354486.db2.gz SUHVDWPIGVNJDG-BEFAXECRSA-N 1 0 327.428 4.298 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1ccncc1Cl)C1CC1 ZINC001173223724 1050354636 /nfs/dbraw/zinc/35/46/36/1050354636.db2.gz LGVLUAIKESNRPM-KZULUSFZSA-N 1 0 345.830 4.315 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(F)cc1Cl ZINC001173221208 1050355035 /nfs/dbraw/zinc/35/50/35/1050355035.db2.gz LMUTYEGBUODDSM-LBPRGKRZSA-N 1 0 336.794 4.151 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cccc2cccnc21 ZINC001173226416 1050356268 /nfs/dbraw/zinc/35/62/68/1050356268.db2.gz KBXNWZYGTPWZPA-OAHLLOKOSA-N 1 0 335.407 4.206 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1c(F)cc(Cl)cc1F ZINC001173214701 1050373000 /nfs/dbraw/zinc/37/30/00/1050373000.db2.gz DZDAQHWIAYMBRW-SNVBAGLBSA-N 1 0 340.757 4.247 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(Br)cc1 ZINC001173214147 1050373774 /nfs/dbraw/zinc/37/37/74/1050373774.db2.gz MIVNDLWZQFTWJJ-GFCCVEGCSA-N 1 0 349.228 4.078 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(Br)c1 ZINC001173212521 1050374428 /nfs/dbraw/zinc/37/44/28/1050374428.db2.gz AMTRLMFJDPKTPI-GFCCVEGCSA-N 1 0 349.228 4.078 20 5 EIBDRO C[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1F ZINC000181966630 1050405688 /nfs/dbraw/zinc/40/56/88/1050405688.db2.gz KPACGPQVSYVRDH-VIFPVBQESA-N 1 0 326.730 4.377 20 5 EIBDRO CC(C)(C)OC(=O)CCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618572133 1050412949 /nfs/dbraw/zinc/41/29/49/1050412949.db2.gz GANIFJSJCMYRSW-KRWDZBQOSA-N 1 0 348.443 4.074 20 5 EIBDRO CCc1cc(OC)ccc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001178327061 1050447784 /nfs/dbraw/zinc/44/77/84/1050447784.db2.gz XEAUCBMKAPBUIN-UHFFFAOYSA-N 1 0 348.830 4.152 20 5 EIBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc(Cl)c(Cl)c2)c1 ZINC001178387030 1050451568 /nfs/dbraw/zinc/45/15/68/1050451568.db2.gz REPMTVMWLJKZRP-UHFFFAOYSA-N 1 0 325.195 4.234 20 5 EIBDRO Cc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc(Cl)cc3[N+](=O)[O-])C2)cc1 ZINC001187393403 1050540793 /nfs/dbraw/zinc/54/07/93/1050540793.db2.gz YRRZWYLLTJJUPY-MRXNPFEDSA-N 1 0 345.830 4.243 20 5 EIBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1ccc(F)cc1 ZINC001173800009 1050575651 /nfs/dbraw/zinc/57/56/51/1050575651.db2.gz MLWQWHSYHQLLIG-UHFFFAOYSA-N 1 0 347.393 4.383 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[C@H]4C[C@H]43)o2)cc1 ZINC001179169032 1050647463 /nfs/dbraw/zinc/64/74/63/1050647463.db2.gz PSGMEWORLDMJGN-RLFYNMQTSA-N 1 0 326.396 4.381 20 5 EIBDRO COCC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCCC1 ZINC001179244359 1050658171 /nfs/dbraw/zinc/65/81/71/1050658171.db2.gz YHWQMECWKVHHRE-UHFFFAOYSA-N 1 0 344.411 4.294 20 5 EIBDRO C[C@@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)c1ccc([N+](=O)[O-])cc1 ZINC001179575971 1050719895 /nfs/dbraw/zinc/71/98/95/1050719895.db2.gz ZSASYVNVYMFGQE-SNVBAGLBSA-N 1 0 331.759 4.240 20 5 EIBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC001179666506 1050754662 /nfs/dbraw/zinc/75/46/62/1050754662.db2.gz SOYSBXVMBCTXEK-HNNXBMFYSA-N 1 0 334.460 4.402 20 5 EIBDRO C[C@H]1Cc2cc(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)ccc2O1 ZINC001179909032 1050831496 /nfs/dbraw/zinc/83/14/96/1050831496.db2.gz AVKMODGXMUKDQD-AWEZNQCLSA-N 1 0 338.407 4.083 20 5 EIBDRO CC1(C)C[C@H]([NH2+][C@H]2CCCC23CCOCC3)c2cc([N+](=O)[O-])ccc21 ZINC000619724544 1050872901 /nfs/dbraw/zinc/87/29/01/1050872901.db2.gz NGPWQFYSHSSZQR-ROUUACIJSA-N 1 0 344.455 4.256 20 5 EIBDRO CCC(CC)[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000775212300 1050880248 /nfs/dbraw/zinc/88/02/48/1050880248.db2.gz NWIQTFOMFDIQGW-AEFFLSMTSA-N 1 0 348.468 4.457 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2Cc2ccc(F)cc2)c(F)c1 ZINC001180185521 1050898141 /nfs/dbraw/zinc/89/81/41/1050898141.db2.gz ZRWUYJRQSLLOLJ-KRWDZBQOSA-N 1 0 346.377 4.470 20 5 EIBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CS1 ZINC001180349472 1050965225 /nfs/dbraw/zinc/96/52/25/1050965225.db2.gz MCZHUHMUYOJJBN-DZGCQCFKSA-N 1 0 342.892 4.301 20 5 EIBDRO C[C@H](C(=O)N(C)Cc1c2ccccc2cc2ccccc21)[NH+]1CCCC1 ZINC001180578482 1051026977 /nfs/dbraw/zinc/02/69/77/1051026977.db2.gz IAHFIAAIEAWZCA-QGZVFWFLSA-N 1 0 346.474 4.436 20 5 EIBDRO Cc1c(C[NH2+]C[C@H](OC(C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC001180857069 1051093912 /nfs/dbraw/zinc/09/39/12/1051093912.db2.gz MHLZKGJCSFWKTJ-IBGZPJMESA-N 1 0 328.412 4.159 20 5 EIBDRO CC(C)[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001180950529 1051119865 /nfs/dbraw/zinc/11/98/65/1051119865.db2.gz BWNJRRMFORTBLF-LBPRGKRZSA-N 1 0 330.350 4.482 20 5 EIBDRO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000183727249 1051329007 /nfs/dbraw/zinc/32/90/07/1051329007.db2.gz IXXQXIOSAVZAAL-CQSZACIVSA-N 1 0 337.379 4.443 20 5 EIBDRO Cc1ccc(C[C@H](C)[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC001191123470 1051358478 /nfs/dbraw/zinc/35/84/78/1051358478.db2.gz WAVDLQBRNWQTMQ-KRWDZBQOSA-N 1 0 342.439 4.235 20 5 EIBDRO C[NH+](C)CCn1cc(Nc2cc3ccccc3c3ccccc23)cn1 ZINC001175113011 1051358589 /nfs/dbraw/zinc/35/85/89/1051358589.db2.gz OOHYOVACTQSGEP-UHFFFAOYSA-N 1 0 330.435 4.495 20 5 EIBDRO CCOC1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001182020751 1051384196 /nfs/dbraw/zinc/38/41/96/1051384196.db2.gz NSNFJMDLIYAZGV-WMZOPIPTSA-N 1 0 346.471 4.245 20 5 EIBDRO C[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC001191212861 1051387325 /nfs/dbraw/zinc/38/73/25/1051387325.db2.gz DAAMLNLHMNCYKF-MAUKXSAKSA-N 1 0 344.411 4.430 20 5 EIBDRO CC(C)[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000774410584 1051581545 /nfs/dbraw/zinc/58/15/45/1051581545.db2.gz PTLVWDCWMUOZFF-ZWKOTPCHSA-N 1 0 348.830 4.269 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2ccc(F)cc2F)C2CC2)cc1 ZINC001192614963 1051778346 /nfs/dbraw/zinc/77/83/46/1051778346.db2.gz DZSJSIGJHHZTEX-SFHVURJKSA-N 1 0 332.350 4.156 20 5 EIBDRO C[NH+]1CCC(c2ccc(Nc3ccc(/C=C/[N+](=O)[O-])cc3)cc2)CC1 ZINC001175902923 1051838243 /nfs/dbraw/zinc/83/82/43/1051838243.db2.gz XFCIYDIEYUKJFZ-XNTDXEJSSA-N 1 0 337.423 4.487 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](CC(C)(C)C)CC(C)(C)C ZINC001192977407 1051849802 /nfs/dbraw/zinc/84/98/02/1051849802.db2.gz WZNHMCBQEDMSBB-UHFFFAOYSA-N 1 0 349.475 4.236 20 5 EIBDRO Cc1csc([C@H]2CC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC001175946758 1051864231 /nfs/dbraw/zinc/86/42/31/1051864231.db2.gz LWKJQKPKVZFUAQ-KGLIPLIRSA-N 1 0 331.441 4.219 20 5 EIBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C12CCCCC2 ZINC001183788616 1051899126 /nfs/dbraw/zinc/89/91/26/1051899126.db2.gz MPTYFCNZMSPKFT-JCGIZDLHSA-N 1 0 332.444 4.373 20 5 EIBDRO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001183788646 1051899451 /nfs/dbraw/zinc/89/94/51/1051899451.db2.gz MYXAMZXYODMCFZ-GQIGUUNPSA-N 1 0 345.487 4.289 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@@H]2CC2(O)CCCCC2)c1 ZINC001176061979 1051900285 /nfs/dbraw/zinc/90/02/85/1051900285.db2.gz MGBHSMCGXVFHOY-GOSISDBHSA-N 1 0 332.444 4.035 20 5 EIBDRO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC1=CCOCC1 ZINC001176146162 1051909936 /nfs/dbraw/zinc/90/99/36/1051909936.db2.gz PNCFIXCFRDNEKY-UHFFFAOYSA-N 1 0 333.435 4.479 20 5 EIBDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001193403462 1051916358 /nfs/dbraw/zinc/91/63/58/1051916358.db2.gz XFNVLRNNWVOWMX-GWCFXTLKSA-N 1 0 327.222 4.026 20 5 EIBDRO CO[C@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001193744126 1051979516 /nfs/dbraw/zinc/97/95/16/1051979516.db2.gz ZUWCPKDKNCPXNW-GOSISDBHSA-N 1 0 348.830 4.110 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC001184264507 1051980624 /nfs/dbraw/zinc/98/06/24/1051980624.db2.gz DPKHMSBLYXLXBW-SCZPIIQISA-N 1 0 343.452 4.019 20 5 EIBDRO O=[N+]([O-])c1ccc(OCCC[N@H+](CCc2ccccc2)C2CC2)cc1 ZINC001176410957 1052064730 /nfs/dbraw/zinc/06/47/30/1052064730.db2.gz FDIYTMHMQMLLMR-UHFFFAOYSA-N 1 0 340.423 4.071 20 5 EIBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC001185099052 1052167869 /nfs/dbraw/zinc/16/78/69/1052167869.db2.gz WJVIHGHMGAKBSL-CQSZACIVSA-N 1 0 325.840 4.315 20 5 EIBDRO CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774889337 1052250592 /nfs/dbraw/zinc/25/05/92/1052250592.db2.gz ZEQKZKVXFGTTBD-GOSISDBHSA-N 1 0 343.383 4.332 20 5 EIBDRO CC(C)C1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001185611842 1052270657 /nfs/dbraw/zinc/27/06/57/1052270657.db2.gz PBTQEQKRDGXOEF-UHFFFAOYSA-N 1 0 349.450 4.071 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000090918670 1052783139 /nfs/dbraw/zinc/78/31/39/1052783139.db2.gz JYCKSYNGSXLUHK-LRDDRELGSA-N 1 0 328.368 4.125 20 5 EIBDRO Cc1ccc([C@@H]2CCCN2Cc2nc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000083174202 1052841974 /nfs/dbraw/zinc/84/19/74/1052841974.db2.gz UKTXBIYKTWZWCS-AWEZNQCLSA-N 1 0 343.408 4.443 20 5 EIBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCCC1 ZINC000182689131 1052947582 /nfs/dbraw/zinc/94/75/82/1052947582.db2.gz QZFUADLTVGAVLW-CQSZACIVSA-N 1 0 343.427 4.351 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC001194905790 1053157065 /nfs/dbraw/zinc/15/70/65/1053157065.db2.gz LMFZVMJKNUAVPP-LIRRHRJNSA-N 1 0 348.443 4.018 20 5 EIBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCC(F)CC1 ZINC000850556542 1053312647 /nfs/dbraw/zinc/31/26/47/1053312647.db2.gz RYMMLCKUMLTSDP-QQFBHYJXSA-N 1 0 349.450 4.070 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)[C@H]1CC1(C)C ZINC001195270950 1053355158 /nfs/dbraw/zinc/35/51/58/1053355158.db2.gz XYLUPFUZPRUATH-VXGBXAGGSA-N 1 0 341.249 4.272 20 5 EIBDRO CN(C)c1nccc(C[NH2+]Cc2c3ccccc3cc3ccccc32)n1 ZINC000776496297 1053376695 /nfs/dbraw/zinc/37/66/95/1053376695.db2.gz JRUNTQNOMSFMSG-UHFFFAOYSA-N 1 0 342.446 4.139 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3cccnc3)C2)c(Cl)c1 ZINC001195546248 1053431909 /nfs/dbraw/zinc/43/19/09/1053431909.db2.gz AGIXXFDRRYFGMC-CQSZACIVSA-N 1 0 331.803 4.023 20 5 EIBDRO COc1cccc(C2([NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000552087401 1053451984 /nfs/dbraw/zinc/45/19/84/1053451984.db2.gz GZQGWOPLOGWIIN-AWEZNQCLSA-N 1 0 326.396 4.252 20 5 EIBDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120489328 1053475480 /nfs/dbraw/zinc/47/54/80/1053475480.db2.gz HURXIQZZWNRVFH-IAGOWNOFSA-N 1 0 334.803 4.023 20 5 EIBDRO C[C@]1(c2cccc(F)c2)CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC001195842561 1053503082 /nfs/dbraw/zinc/50/30/82/1053503082.db2.gz GGLNKUBLQKGXIO-SFHVURJKSA-N 1 0 332.350 4.037 20 5 EIBDRO CC(C)(C)[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000776588435 1053574910 /nfs/dbraw/zinc/57/49/10/1053574910.db2.gz VGGMUYSKZYDHAC-QZTJIDSGSA-N 1 0 346.402 4.144 20 5 EIBDRO C[NH+](C)C1(C)CCC(Nc2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000866146752 1053645859 /nfs/dbraw/zinc/64/58/59/1053645859.db2.gz AOHGHDRWKKRBEN-UHFFFAOYSA-N 1 0 327.375 4.207 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC001196505719 1053687031 /nfs/dbraw/zinc/68/70/31/1053687031.db2.gz FRAZSLIGWCYGGP-QFBILLFUSA-N 1 0 339.439 4.175 20 5 EIBDRO CC(C)[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccn1 ZINC000866358874 1053701784 /nfs/dbraw/zinc/70/17/84/1053701784.db2.gz LHGIIRRRWKLZDS-LJQANCHMSA-N 1 0 338.411 4.001 20 5 EIBDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)CCS2 ZINC000866539402 1053775171 /nfs/dbraw/zinc/77/51/71/1053775171.db2.gz BSJQNCYPQOUOHW-MRXNPFEDSA-N 1 0 344.436 4.239 20 5 EIBDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)CCS2 ZINC000866539367 1053775510 /nfs/dbraw/zinc/77/55/10/1053775510.db2.gz BSJQNCYPQOUOHW-INIZCTEOSA-N 1 0 344.436 4.239 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cc2cnccc2o1 ZINC000866621354 1053810537 /nfs/dbraw/zinc/81/05/37/1053810537.db2.gz QZWXXBVZSSYTJI-PXAZEXFGSA-N 1 0 337.379 4.464 20 5 EIBDRO [NH3+]CC[C@@H]1CN(c2cc(Cl)ccc2/C=C/[N+](=O)[O-])c2ccccc21 ZINC001168548939 1053812553 /nfs/dbraw/zinc/81/25/53/1053812553.db2.gz QCRKSSRJOHEOGK-QSYFUGGGSA-N 1 0 343.814 4.172 20 5 EIBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000552270769 1053846019 /nfs/dbraw/zinc/84/60/19/1053846019.db2.gz BLIWLHJFPQFXIY-YVWKXTFCSA-N 1 0 340.423 4.036 20 5 EIBDRO CC(C)c1cc([C@H]2CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC001197542353 1053933803 /nfs/dbraw/zinc/93/38/03/1053933803.db2.gz KQKADVBJKJEQIZ-GJZGRUSLSA-N 1 0 342.443 4.382 20 5 EIBDRO [NH3+]CC[C@H]1CN(c2cc3ccccc3c([N+](=O)[O-])c2)c2ccccc21 ZINC001168555915 1053939764 /nfs/dbraw/zinc/93/97/64/1053939764.db2.gz SRQVYJPSFUCWNZ-HNNXBMFYSA-N 1 0 333.391 4.332 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000857081939 1054175089 /nfs/dbraw/zinc/17/50/89/1054175089.db2.gz KHLYXEDLFNXZIX-ZYHUDNBSSA-N 1 0 347.242 4.228 20 5 EIBDRO CC[C@@H](C[N@H+](CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000775895885 1054281095 /nfs/dbraw/zinc/28/10/95/1054281095.db2.gz OYWFMUPHHUHFPD-OXJNMPFZSA-N 1 0 342.439 4.144 20 5 EIBDRO COCc1ccccc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872018682 1054334097 /nfs/dbraw/zinc/33/40/97/1054334097.db2.gz OMGMTMWNNUCOOY-CYBMUJFWSA-N 1 0 346.452 4.314 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)c1c(C)noc1C ZINC000872053617 1054364570 /nfs/dbraw/zinc/36/45/70/1054364570.db2.gz VYFWMIWVLIVIGW-QWRGUYRKSA-N 1 0 349.456 4.376 20 5 EIBDRO Cc1c(C[NH2+][C@H]2CCCOc3c(F)cccc32)cccc1[N+](=O)[O-] ZINC000873102058 1054486138 /nfs/dbraw/zinc/48/61/38/1054486138.db2.gz FPJCKRHSZWCRSB-INIZCTEOSA-N 1 0 330.359 4.046 20 5 EIBDRO Cc1nc2c(s1)[C@H]([NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)CCC2 ZINC000873103285 1054487259 /nfs/dbraw/zinc/48/72/59/1054487259.db2.gz STFPCKAMHNRQNG-CQSZACIVSA-N 1 0 331.441 4.144 20 5 EIBDRO CCCOc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000873184162 1054503987 /nfs/dbraw/zinc/50/39/87/1054503987.db2.gz DLRHZKZIEIHBMP-CQSZACIVSA-N 1 0 344.411 4.243 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000173387104 1054551955 /nfs/dbraw/zinc/55/19/55/1054551955.db2.gz OSMDQWMSLFFIID-GFCCVEGCSA-N 1 0 332.425 4.176 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](c1cccnc1)C(C)C ZINC001200911291 1054572238 /nfs/dbraw/zinc/57/22/38/1054572238.db2.gz OCAZYGYVDGIOQN-KRWDZBQOSA-N 1 0 327.428 4.136 20 5 EIBDRO CC[C@@H](CSc1ccccc1)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001201594689 1054859548 /nfs/dbraw/zinc/85/95/48/1054859548.db2.gz KLZMMFOELYYJAT-HNNXBMFYSA-N 1 0 346.452 4.264 20 5 EIBDRO COc1cc(F)c([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000173416690 1054894884 /nfs/dbraw/zinc/89/48/84/1054894884.db2.gz HUYYMZJCGIKCPN-RYUDHWBXSA-N 1 0 348.374 4.163 20 5 EIBDRO COc1cc(F)c([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000173416713 1054895308 /nfs/dbraw/zinc/89/53/08/1054895308.db2.gz HUYYMZJCGIKCPN-NWDGAFQWSA-N 1 0 348.374 4.163 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1cccc([N+](=O)[O-])c1 ZINC001201769232 1054902878 /nfs/dbraw/zinc/90/28/78/1054902878.db2.gz CMSUJUXPLZWJLK-UGSOOPFHSA-N 1 0 326.396 4.159 20 5 EIBDRO Cc1ccc(C(C)(C)C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)nc1 ZINC000862480819 1055073232 /nfs/dbraw/zinc/07/32/32/1055073232.db2.gz LRPKPBBNODVMJW-UHFFFAOYSA-N 1 0 333.819 4.019 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2([C@H]3CCCCO3)CCC2)cc1Cl ZINC000877698383 1055108735 /nfs/dbraw/zinc/10/87/35/1055108735.db2.gz STFFFPIPQHUYRI-MRXNPFEDSA-N 1 0 338.835 4.077 20 5 EIBDRO Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000776279943 1055150566 /nfs/dbraw/zinc/15/05/66/1055150566.db2.gz VDWYEIWJNPKUAS-VQTJNVASSA-N 1 0 340.423 4.082 20 5 EIBDRO CC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCCC[C@H]1C ZINC000878474786 1055320884 /nfs/dbraw/zinc/32/08/84/1055320884.db2.gz FMQOIDIXOVZRKL-HIFRSBDPSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000091062155 1055512081 /nfs/dbraw/zinc/51/20/81/1055512081.db2.gz AVUVHVIFNHLMFJ-CYBMUJFWSA-N 1 0 340.383 4.046 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000301484946 1055633859 /nfs/dbraw/zinc/63/38/59/1055633859.db2.gz WCARNSIOQNZZFF-KBXCAEBGSA-N 1 0 345.468 4.460 20 5 EIBDRO COc1ccc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3C)CCCC2)cc1 ZINC000542687629 1055826443 /nfs/dbraw/zinc/82/64/43/1055826443.db2.gz WKRDHRJULMOUMQ-UHFFFAOYSA-N 1 0 340.423 4.471 20 5 EIBDRO Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000542704994 1055848984 /nfs/dbraw/zinc/84/89/84/1055848984.db2.gz JVOGSEWCPXXUJD-UXHICEINSA-N 1 0 340.423 4.222 20 5 EIBDRO CO[C@H](C)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000338709421 1056441310 /nfs/dbraw/zinc/44/13/10/1056441310.db2.gz MTSBRLCWESHGLQ-LLVKDONJSA-N 1 0 338.791 4.023 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000338715879 1056512989 /nfs/dbraw/zinc/51/29/89/1056512989.db2.gz KTIKWHXSTBJTTC-UHFFFAOYSA-N 1 0 339.420 4.317 20 5 EIBDRO CC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000065299414 1058200027 /nfs/dbraw/zinc/20/00/27/1058200027.db2.gz WZWYFNCNMFMCQG-NSHDSACASA-N 1 0 346.374 4.071 20 5 EIBDRO CS[C@H]1CC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000742382532 1058585619 /nfs/dbraw/zinc/58/56/19/1058585619.db2.gz CLUUPKOEXZNBPV-WFASDCNBSA-N 1 0 349.481 4.092 20 5 EIBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C12CCCC2 ZINC000742390067 1058587478 /nfs/dbraw/zinc/58/74/78/1058587478.db2.gz ANFAKRPQOQEHRL-JKSUJKDBSA-N 1 0 338.835 4.076 20 5 EIBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C12CCCC2 ZINC000742390065 1058587825 /nfs/dbraw/zinc/58/78/25/1058587825.db2.gz ANFAKRPQOQEHRL-HOTGVXAUSA-N 1 0 338.835 4.076 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(C)(C)C)cc1 ZINC000743462830 1059018832 /nfs/dbraw/zinc/01/88/32/1059018832.db2.gz BAAHWXBYEBZXII-KUHUBIRLSA-N 1 0 342.439 4.277 20 5 EIBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000743859983 1059166864 /nfs/dbraw/zinc/16/68/64/1059166864.db2.gz NAULGHJZQVZVJN-CQSZACIVSA-N 1 0 346.427 4.348 20 5 EIBDRO COc1ccc(C2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)cc1 ZINC000745946774 1059922501 /nfs/dbraw/zinc/92/25/01/1059922501.db2.gz IAJIPZXOVQPAIF-UHFFFAOYSA-N 1 0 344.386 4.122 20 5 EIBDRO CC(C)([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC001168984434 1060556446 /nfs/dbraw/zinc/55/64/46/1060556446.db2.gz NUEPEPXATUHCHK-CMPLNLGQSA-N 1 0 331.243 4.264 20 5 EIBDRO CC[N+](C)(C)Cc1ccccc1NCc1ccccc1-n1cccn1 ZINC001168966746 1060558712 /nfs/dbraw/zinc/55/87/12/1060558712.db2.gz KYYRPHLQCQXODH-UHFFFAOYSA-N 1 0 335.475 4.081 20 5 EIBDRO CC(C)(Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168995587 1060568845 /nfs/dbraw/zinc/56/88/45/1060568845.db2.gz SBLPJTUEUHOHNV-ZFWWWQNUSA-N 1 0 344.377 4.062 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3)CCC(F)(F)CC2)C1 ZINC001168999714 1060572310 /nfs/dbraw/zinc/57/23/10/1060572310.db2.gz UROHCBMKMRCMQW-GOEBONIOSA-N 1 0 338.398 4.126 20 5 EIBDRO CCCC[C@H]([NH3+])Cc1cn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168987883 1060584695 /nfs/dbraw/zinc/58/46/95/1060584695.db2.gz LBEMVZRPMLKAOJ-NJAFHUGGSA-N 1 0 343.471 4.319 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001169036395 1060595424 /nfs/dbraw/zinc/59/54/24/1060595424.db2.gz OANHWEMVBLKEPF-XBFCOCLRSA-N 1 0 343.254 4.228 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC001169048363 1060603223 /nfs/dbraw/zinc/60/32/23/1060603223.db2.gz UWFKAZCZFNCUJF-DAXOMENPSA-N 1 0 342.361 4.288 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC001169048364 1060603603 /nfs/dbraw/zinc/60/36/03/1060603603.db2.gz UWFKAZCZFNCUJF-KCXAZCMYSA-N 1 0 342.361 4.288 20 5 EIBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001169282476 1060740971 /nfs/dbraw/zinc/74/09/71/1060740971.db2.gz DFOWQIDSPKFLLZ-BXUZGUMPSA-N 1 0 341.249 4.368 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC3(CCCCC3)CC2)c1 ZINC001169306811 1060766592 /nfs/dbraw/zinc/76/65/92/1060766592.db2.gz JIXRKMYQYBDPBC-GOSISDBHSA-N 1 0 332.444 4.065 20 5 EIBDRO [NH3+]Cc1ccc2c(n1)N(c1nc3ccccc3c3ccccc31)CCC2 ZINC001169592257 1060865241 /nfs/dbraw/zinc/86/52/41/1060865241.db2.gz ZMAZAEQFFLOGNE-UHFFFAOYSA-N 1 0 340.430 4.326 20 5 EIBDRO Cc1c(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000237603628 1032060113 /nfs/dbraw/zinc/06/01/13/1032060113.db2.gz UEAVMEJYZWNCKG-UHFFFAOYSA-N 1 0 342.292 4.351 20 5 EIBDRO C[C@@H]([NH2+]CCOCC1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000532225289 1032104141 /nfs/dbraw/zinc/10/41/41/1032104141.db2.gz LQCTZKRAHWIPFU-CYBMUJFWSA-N 1 0 346.452 4.401 20 5 EIBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCCC[C@H]1/C=C\c1ccccc1 ZINC001168144165 1032209181 /nfs/dbraw/zinc/20/91/81/1032209181.db2.gz BYJPRQZWGTYQCZ-HSNDNRACSA-N 1 0 337.423 4.448 20 5 EIBDRO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430196253 1019185540 /nfs/dbraw/zinc/18/55/40/1019185540.db2.gz QUZMWNXGIAFEDQ-UHFFFAOYSA-N 1 0 339.395 4.107 20 5 EIBDRO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120729888 1020105879 /nfs/dbraw/zinc/10/58/79/1020105879.db2.gz BMAZQIHIYWDVKD-XJKSGUPXSA-N 1 0 344.415 4.045 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CC[C@H](F)C3)o2)c(Cl)c1 ZINC000579883876 1020163087 /nfs/dbraw/zinc/16/30/87/1020163087.db2.gz BOEINQSLVOEACF-QWRGUYRKSA-N 1 0 338.766 4.488 20 5 EIBDRO C[NH2+]Cc1cn(-c2nccc3ccc([N+](=O)[O-])cc32)c2ccc(C)cc12 ZINC001167122847 1020266454 /nfs/dbraw/zinc/26/64/54/1020266454.db2.gz MTUDJHOLHSUGRT-UHFFFAOYSA-N 1 0 346.390 4.115 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000610271445 1020834325 /nfs/dbraw/zinc/83/43/25/1020834325.db2.gz IFBYJSRFGVNRQU-JQHSSLGASA-N 1 0 332.444 4.011 20 5 EIBDRO CCCC[N@@H+](Cc1ccccc1F)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001167293801 1020897290 /nfs/dbraw/zinc/89/72/90/1020897290.db2.gz AQIYZFPLJKYNHU-IBGZPJMESA-N 1 0 346.402 4.070 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177500033 1020985751 /nfs/dbraw/zinc/98/57/51/1020985751.db2.gz BIEYMEIWDMRXHN-HNNXBMFYSA-N 1 0 332.444 4.327 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCCOc2cc(F)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000179963855 1021185972 /nfs/dbraw/zinc/18/59/72/1021185972.db2.gz PYNPYZCJBGVZJH-YVEFUNNKSA-N 1 0 330.359 4.298 20 5 EIBDRO CC(C)CCC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001167689751 1021281964 /nfs/dbraw/zinc/28/19/64/1021281964.db2.gz NNXVRCCQQUVLOM-UHFFFAOYSA-N 1 0 347.459 4.072 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000610369754 1021551633 /nfs/dbraw/zinc/55/16/33/1021551633.db2.gz SSJYTLQQDMOKQJ-KDOFPFPSSA-N 1 0 328.437 4.446 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)Oc1ccccc1F ZINC000468629638 1022080252 /nfs/dbraw/zinc/08/02/52/1022080252.db2.gz JBASRVJQJNEHQT-BAAYTWLHSA-N 1 0 344.386 4.194 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnc2ccccc2c1 ZINC000468639900 1022218085 /nfs/dbraw/zinc/21/80/85/1022218085.db2.gz UOVOCYVYQFBLJA-DHDCSXOGSA-N 1 0 333.391 4.336 20 5 EIBDRO COc1ccc([C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000537288178 1022254911 /nfs/dbraw/zinc/25/49/11/1022254911.db2.gz MAUILSQKOZPLKL-BFUOFWGJSA-N 1 0 326.396 4.405 20 5 EIBDRO COc1ccsc1[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000471599534 1022284778 /nfs/dbraw/zinc/28/47/78/1022284778.db2.gz TYHIBXTYCXCSTG-ZDUSSCGKSA-N 1 0 334.441 4.338 20 5 EIBDRO CC[NH+](CC)Cc1ccccc1CNc1cccc(OC)c1[N+](=O)[O-] ZINC000548117146 1022287271 /nfs/dbraw/zinc/28/72/71/1022287271.db2.gz QNJRFHIMLNEPKA-UHFFFAOYSA-N 1 0 343.427 4.057 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000471602968 1022307487 /nfs/dbraw/zinc/30/74/87/1022307487.db2.gz QOQXMGDVLHYBJD-YSSFQJQWSA-N 1 0 341.455 4.327 20 5 EIBDRO COCC1CCC([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000414301766 1022458618 /nfs/dbraw/zinc/45/86/18/1022458618.db2.gz BVIZHVVKWUVWBH-DHRZBBNESA-N 1 0 346.471 4.101 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000436233857 1022751886 /nfs/dbraw/zinc/75/18/86/1022751886.db2.gz VCDRECJOCVZANA-RDJZCZTQSA-N 1 0 326.396 4.029 20 5 EIBDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000378405692 1022806646 /nfs/dbraw/zinc/80/66/46/1022806646.db2.gz SEXIBGOBOBHKPV-BBRMVZONSA-N 1 0 342.395 4.086 20 5 EIBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C ZINC000481172950 1022960062 /nfs/dbraw/zinc/96/00/62/1022960062.db2.gz GMNNDZHVPNRCOS-XNJGSVPQSA-N 1 0 329.400 4.164 20 5 EIBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](C)C(C)C ZINC000120269423 1023148479 /nfs/dbraw/zinc/14/84/79/1023148479.db2.gz HCVRLCZUHVMHEK-CQSZACIVSA-N 1 0 331.416 4.159 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cnccc1C(C)(C)C ZINC000584706900 1023218983 /nfs/dbraw/zinc/21/89/83/1023218983.db2.gz ZQDQPMIFNQZXBC-AWEZNQCLSA-N 1 0 327.428 4.447 20 5 EIBDRO Cc1cc(C)c(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000417351224 1023275401 /nfs/dbraw/zinc/27/54/01/1023275401.db2.gz RMLXQLIFSMMWHX-IBGZPJMESA-N 1 0 325.412 4.164 20 5 EIBDRO CCC[C@H]([NH2+][C@H]1COCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000417399934 1023307190 /nfs/dbraw/zinc/30/71/90/1023307190.db2.gz IWFIQSMRZKXYBN-OALUTQOASA-N 1 0 326.396 4.297 20 5 EIBDRO O=[N+]([O-])c1cc(CN2CCC3(CCCC3)C2)ccc1Br ZINC000312487596 1023324241 /nfs/dbraw/zinc/32/42/41/1023324241.db2.gz INVXXBNDFMNOTH-UHFFFAOYSA-N 1 0 339.233 4.123 20 5 EIBDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000126578155 1023371929 /nfs/dbraw/zinc/37/19/29/1023371929.db2.gz YSLJMXJIWXOLGV-OAHLLOKOSA-N 1 0 344.411 4.103 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CSc2ccccc21 ZINC000584850656 1023386562 /nfs/dbraw/zinc/38/65/62/1023386562.db2.gz QCWVTZOJWDIAQY-BLLLJJGKSA-N 1 0 326.421 4.061 20 5 EIBDRO C[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccncc1 ZINC000610517706 1023460166 /nfs/dbraw/zinc/46/01/66/1023460166.db2.gz HYHOZPBCUIMJPR-AWEZNQCLSA-N 1 0 337.379 4.143 20 5 EIBDRO CC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCOCC1 ZINC000500232530 1023607976 /nfs/dbraw/zinc/60/79/76/1023607976.db2.gz XAATUXFBYHOOJU-UHFFFAOYSA-N 1 0 346.452 4.230 20 5 EIBDRO CC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCOCC1 ZINC000500243933 1023612962 /nfs/dbraw/zinc/61/29/62/1023612962.db2.gz XKZDVLUVWWHURI-UHFFFAOYSA-N 1 0 346.452 4.230 20 5 EIBDRO Cc1c(C[NH+]2CCC(OCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000051181758 1023633107 /nfs/dbraw/zinc/63/31/07/1023633107.db2.gz TXAMQNPZJPITGQ-UHFFFAOYSA-N 1 0 340.423 4.084 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccncc1 ZINC000453210135 1023693179 /nfs/dbraw/zinc/69/31/79/1023693179.db2.gz FLHUQIFOYUWJRU-OAHLLOKOSA-N 1 0 339.317 4.250 20 5 EIBDRO CC(C)(C)c1ncc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000175984420 1023882665 /nfs/dbraw/zinc/88/26/65/1023882665.db2.gz AOFAGLOVPRIXBX-UHFFFAOYSA-N 1 0 333.457 4.374 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H]4CCC[C@H]43)cs2)c1 ZINC000511844094 1023932321 /nfs/dbraw/zinc/93/23/21/1023932321.db2.gz PLBDGVYXIGDJRZ-SUMWQHHRSA-N 1 0 343.452 4.483 20 5 EIBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000610573516 1023946322 /nfs/dbraw/zinc/94/63/22/1023946322.db2.gz NVHGEZBRZXKCPC-HIFRSBDPSA-N 1 0 331.441 4.121 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000128489740 1024084603 /nfs/dbraw/zinc/08/46/03/1024084603.db2.gz MXAMGTNFAPZVKK-KGLIPLIRSA-N 1 0 344.411 4.332 20 5 EIBDRO CC[C@H]1c2ccccc2CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581692 1024130185 /nfs/dbraw/zinc/13/01/85/1024130185.db2.gz AEIHWERNCAHBLE-KRWDZBQOSA-N 1 0 337.379 4.245 20 5 EIBDRO CC[C@@H]1c2ccccc2CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581693 1024133649 /nfs/dbraw/zinc/13/36/49/1024133649.db2.gz AEIHWERNCAHBLE-QGZVFWFLSA-N 1 0 337.379 4.245 20 5 EIBDRO c1[nH]nc2c1C[C@@H]([NH2+]Cc1c3ccccc3cc3ccccc31)CC2 ZINC000236751778 1024564436 /nfs/dbraw/zinc/56/44/36/1024564436.db2.gz QMGAQBMJKATTHJ-SFHVURJKSA-N 1 0 327.431 4.363 20 5 EIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(-c2ccncc2)c1 ZINC000549808843 1033223009 /nfs/dbraw/zinc/22/30/09/1033223009.db2.gz YAGYWKGAZWVKPK-UHFFFAOYSA-N 1 0 347.418 4.331 20 5 EIBDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000510960085 1024867922 /nfs/dbraw/zinc/86/79/22/1024867922.db2.gz HQAVZKMJUQAFMS-PIGZYNQJSA-N 1 0 330.359 4.081 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000535777641 1024935260 /nfs/dbraw/zinc/93/52/60/1024935260.db2.gz KYBKGIHKUUZASV-KBPBESRZSA-N 1 0 346.431 4.183 20 5 EIBDRO COc1ccccc1OCCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000610810362 1024994702 /nfs/dbraw/zinc/99/47/02/1024994702.db2.gz XGIRSMKZBVYEDM-OAHLLOKOSA-N 1 0 344.411 4.032 20 5 EIBDRO COC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000568689308 1025297270 /nfs/dbraw/zinc/29/72/70/1025297270.db2.gz GYHRGPHEXNGCKC-ZGRWHYIRSA-N 1 0 346.814 4.239 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CC(c3cccc(Cl)c3)C2)cc1 ZINC000320266793 1025331315 /nfs/dbraw/zinc/33/13/15/1025331315.db2.gz SHUONPPMHFNIRJ-UHFFFAOYSA-N 1 0 330.815 4.327 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(O)c1 ZINC000105461285 1025377031 /nfs/dbraw/zinc/37/70/31/1025377031.db2.gz PBOAWFPOWDVWKS-ZDUSSCGKSA-N 1 0 338.363 4.411 20 5 EIBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1ccc(C(C)C)cc1)C(C)C ZINC000611567413 1025753701 /nfs/dbraw/zinc/75/37/01/1025753701.db2.gz RSQLFQKDRRBFIR-IBGZPJMESA-N 1 0 344.459 4.210 20 5 EIBDRO COc1ccc(Cl)cc1[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000539049513 1025756489 /nfs/dbraw/zinc/75/64/89/1025756489.db2.gz SKXUMNHNGJHMFD-LBPRGKRZSA-N 1 0 334.803 4.150 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000539059680 1025778710 /nfs/dbraw/zinc/77/87/10/1025778710.db2.gz DGFOZHHUNYOIAC-CWRNSKLLSA-N 1 0 338.398 4.474 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1cccc([N+](=O)[O-])c1 ZINC000511038504 1025794951 /nfs/dbraw/zinc/79/49/51/1025794951.db2.gz RHAGWCWHZAGNCZ-AEFFLSMTSA-N 1 0 326.396 4.029 20 5 EIBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000071954809 1025870515 /nfs/dbraw/zinc/87/05/15/1025870515.db2.gz UCPSXNODCWPJAF-MRXNPFEDSA-N 1 0 339.439 4.439 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000119707965 1025873010 /nfs/dbraw/zinc/87/30/10/1025873010.db2.gz WUNBIEUMRDBPSF-CHWSQXEVSA-N 1 0 329.356 4.223 20 5 EIBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000344077470 1025965898 /nfs/dbraw/zinc/96/58/98/1025965898.db2.gz NVQRRKQEJXVHNZ-QGZVFWFLSA-N 1 0 338.407 4.173 20 5 EIBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C12CCCCC2 ZINC001167538882 1025998972 /nfs/dbraw/zinc/99/89/72/1025998972.db2.gz FZFMBAHHQMXZNR-RBUKOAKNSA-N 1 0 346.471 4.463 20 5 EIBDRO Cc1c([C@H](C)[NH2+]Cc2ccccc2OC(F)F)cccc1[N+](=O)[O-] ZINC000119781079 1026081744 /nfs/dbraw/zinc/08/17/44/1026081744.db2.gz DJCUXGKAELQZDU-LBPRGKRZSA-N 1 0 336.338 4.355 20 5 EIBDRO CCc1noc(CC)c1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279124583 1026112644 /nfs/dbraw/zinc/11/26/44/1026112644.db2.gz QHEHREHJMKCNRP-KRWDZBQOSA-N 1 0 343.427 4.220 20 5 EIBDRO CCCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000550159560 1026245583 /nfs/dbraw/zinc/24/55/83/1026245583.db2.gz RYXZBHJUGPGPCX-UHFFFAOYSA-N 1 0 347.459 4.277 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000184298814 1026393241 /nfs/dbraw/zinc/39/32/41/1026393241.db2.gz OHFXGHVBYONGGZ-MRXNPFEDSA-N 1 0 332.375 4.292 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@@H]3CCCF)c2c1 ZINC000582383584 1026529426 /nfs/dbraw/zinc/52/94/26/1026529426.db2.gz GHRXYGYKTJEBAC-CXAGYDPISA-N 1 0 333.407 4.127 20 5 EIBDRO Cc1cc(N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000507001914 1026573100 /nfs/dbraw/zinc/57/31/00/1026573100.db2.gz MCRDMYKZWBJURT-YJBOKZPZSA-N 1 0 325.412 4.151 20 5 EIBDRO CC(C)C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000178565107 1026638797 /nfs/dbraw/zinc/63/87/97/1026638797.db2.gz ALGOEIVYRJMJFK-MOPGFXCFSA-N 1 0 328.412 4.005 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cccc2[nH]ccc21 ZINC000500463055 1026774302 /nfs/dbraw/zinc/77/43/02/1026774302.db2.gz SJSOFAZGFQYHNA-NTCAYCPXSA-N 1 0 335.407 4.312 20 5 EIBDRO CC[C@H]1C[C@]1([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000500505844 1026804798 /nfs/dbraw/zinc/80/47/98/1026804798.db2.gz ZZGSPJVULOSACC-OXJNMPFZSA-N 1 0 340.423 4.327 20 5 EIBDRO CC[NH+](CC)[C@H](C)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000479489643 1026821304 /nfs/dbraw/zinc/82/13/04/1026821304.db2.gz MQRYCWODQUTIQP-OXQOHEQNSA-N 1 0 341.455 4.004 20 5 EIBDRO C[N@H+](CCC1CCCCC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000507634762 1026860480 /nfs/dbraw/zinc/86/04/80/1026860480.db2.gz OKZBQSVNWIMXJI-UHFFFAOYSA-N 1 0 344.415 4.047 20 5 EIBDRO CCOCCC1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000449189905 1026872633 /nfs/dbraw/zinc/87/26/33/1026872633.db2.gz VOPPZCNKCRVUFS-MRXNPFEDSA-N 1 0 334.460 4.102 20 5 EIBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](C)c1cccc(OC)c1 ZINC000507700781 1026878812 /nfs/dbraw/zinc/87/88/12/1026878812.db2.gz MFISUHUSFFNDQI-OAHLLOKOSA-N 1 0 344.411 4.065 20 5 EIBDRO C[C@H](CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000467411063 1026906428 /nfs/dbraw/zinc/90/64/28/1026906428.db2.gz MBSWSVJIPOPMLL-NJAFHUGGSA-N 1 0 342.443 4.058 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OC2CCCCC2)CC1 ZINC000075676774 1027056475 /nfs/dbraw/zinc/05/64/75/1027056475.db2.gz UPZNVUQRQKIHRL-HNNXBMFYSA-N 1 0 332.444 4.470 20 5 EIBDRO C[C@@H]1C[C@H](C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000414262816 1027097173 /nfs/dbraw/zinc/09/71/73/1027097173.db2.gz OWRMVJPWHPFUIV-BAAGSCJXSA-N 1 0 340.423 4.087 20 5 EIBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000078338438 1027323287 /nfs/dbraw/zinc/32/32/87/1027323287.db2.gz PSGMHJWUWKUZMX-SUMWQHHRSA-N 1 0 331.441 4.151 20 5 EIBDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000508483404 1027370338 /nfs/dbraw/zinc/37/03/38/1027370338.db2.gz GTQAIWQSSKAQLU-UHFFFAOYSA-N 1 0 341.411 4.079 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)cc1Cl ZINC000896262591 1027374147 /nfs/dbraw/zinc/37/41/47/1027374147.db2.gz YOHNXVYEMYKNDO-YHWZYXNKSA-N 1 0 326.849 4.012 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000544384971 1027375835 /nfs/dbraw/zinc/37/58/35/1027375835.db2.gz GHZLKPAZXGVGRM-KRWDZBQOSA-N 1 0 346.814 4.424 20 5 EIBDRO C[C@@H]1CCC[C@@H]([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000248582431 1027884142 /nfs/dbraw/zinc/88/41/42/1027884142.db2.gz WIHGZEAPGGGTTJ-JKIFEVAISA-N 1 0 343.427 4.207 20 5 EIBDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000444675373 1027958295 /nfs/dbraw/zinc/95/82/95/1027958295.db2.gz LWGOMLJRJCYQEH-BBRMVZONSA-N 1 0 344.415 4.045 20 5 EIBDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000166733349 1028002203 /nfs/dbraw/zinc/00/22/03/1028002203.db2.gz JPSYQBDHJGMVTR-UONOGXRCSA-N 1 0 348.468 4.383 20 5 EIBDRO C[C@@H](C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@H](C)O ZINC000247976482 1028032841 /nfs/dbraw/zinc/03/28/41/1028032841.db2.gz HVQCVUPVVKEIDZ-HZSPNIEDSA-N 1 0 348.468 4.381 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCOC3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000127386916 1028047155 /nfs/dbraw/zinc/04/71/55/1028047155.db2.gz OKERCBIDALBEIP-HZPDHXFCSA-N 1 0 332.444 4.436 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000127481881 1028048649 /nfs/dbraw/zinc/04/86/49/1028048649.db2.gz GZXGGXNHZMEPHC-RDJZCZTQSA-N 1 0 332.444 4.436 20 5 EIBDRO CCOC[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC000473984620 1028198378 /nfs/dbraw/zinc/19/83/78/1028198378.db2.gz BMDRHHBIQSEFNO-INIZCTEOSA-N 1 0 332.400 4.006 20 5 EIBDRO O=[N+]([O-])c1cc(F)c(NCc2ccccc2C[NH+]2CCCC2)c(F)c1 ZINC000440604349 1028202198 /nfs/dbraw/zinc/20/21/98/1028202198.db2.gz SKRIJBSKXNLOQL-UHFFFAOYSA-N 1 0 347.365 4.081 20 5 EIBDRO COCC1(CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000583322142 1028503406 /nfs/dbraw/zinc/50/34/06/1028503406.db2.gz VDGXFFDSQUDUBR-IBGZPJMESA-N 1 0 340.423 4.091 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000583491981 1028809467 /nfs/dbraw/zinc/80/94/67/1028809467.db2.gz KQHKPMNEPZUISQ-MAUKXSAKSA-N 1 0 326.396 4.202 20 5 EIBDRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000446000746 1029065510 /nfs/dbraw/zinc/06/55/10/1029065510.db2.gz GOWLPYZCFFRMBU-WBVHZDCISA-N 1 0 344.386 4.168 20 5 EIBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C12CCCCC2 ZINC000525126728 1029466897 /nfs/dbraw/zinc/46/68/97/1029466897.db2.gz LHFNUHIWYVMVNG-GJZGRUSLSA-N 1 0 338.473 4.216 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000475329171 1029540406 /nfs/dbraw/zinc/54/04/06/1029540406.db2.gz AVYMYEIKCBULLO-CJNGLKHVSA-N 1 0 332.350 4.299 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000525267527 1029552965 /nfs/dbraw/zinc/55/29/65/1029552965.db2.gz USRMJNGRVAPZNN-MRXNPFEDSA-N 1 0 328.437 4.209 20 5 EIBDRO C[C@]1(O)CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000475334059 1029562392 /nfs/dbraw/zinc/56/23/92/1029562392.db2.gz USFATZJLYCRUJB-SFHVURJKSA-N 1 0 346.452 4.060 20 5 EIBDRO COCC[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccc(C)o1 ZINC000278725554 1029741868 /nfs/dbraw/zinc/74/18/68/1029741868.db2.gz MLJJYKFFGUBBIY-ZWKOTPCHSA-N 1 0 344.411 4.241 20 5 EIBDRO CCC[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccn1 ZINC000584343288 1029743179 /nfs/dbraw/zinc/74/31/79/1029743179.db2.gz IQCFKMFDYKRXRT-SFHVURJKSA-N 1 0 338.411 4.145 20 5 EIBDRO CO[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000525696088 1029928790 /nfs/dbraw/zinc/92/87/90/1029928790.db2.gz MOOIOJFTCLERQE-QGZVFWFLSA-N 1 0 334.803 4.034 20 5 EIBDRO CC(C)c1nc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cs1 ZINC000447533154 1030139654 /nfs/dbraw/zinc/13/96/54/1030139654.db2.gz ZIEBHPMWZNSEAN-KRWDZBQOSA-N 1 0 345.468 4.384 20 5 EIBDRO CCO[C@H](C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000447567914 1030177411 /nfs/dbraw/zinc/17/74/11/1030177411.db2.gz FYAMSWMNQHSBIU-RBUKOAKNSA-N 1 0 328.412 4.413 20 5 EIBDRO CCc1cnccc1[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447579821 1030206514 /nfs/dbraw/zinc/20/65/14/1030206514.db2.gz LSGQZEKVRTYQIN-YJYMSZOUSA-N 1 0 325.412 4.280 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000526117327 1030287064 /nfs/dbraw/zinc/28/70/64/1030287064.db2.gz PLAPOFXNMSBTOX-SJORKVTESA-N 1 0 326.396 4.029 20 5 EIBDRO CCOc1cc(C[NH2+][C@H](C)c2ccc(F)c(C)c2)ccc1[N+](=O)[O-] ZINC000451160889 1030291360 /nfs/dbraw/zinc/29/13/60/1030291360.db2.gz GKDMHDCHALJJRN-CYBMUJFWSA-N 1 0 332.375 4.292 20 5 EIBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451294987 1030381708 /nfs/dbraw/zinc/38/17/08/1030381708.db2.gz JLKXKZCUOHSBBA-GWCFXTLKSA-N 1 0 334.313 4.335 20 5 EIBDRO COc1ccc(C[NH2+]CC2CCC(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000545218808 1030386278 /nfs/dbraw/zinc/38/62/78/1030386278.db2.gz AMGPLDSEHSRUOG-UHFFFAOYSA-N 1 0 346.349 4.062 20 5 EIBDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000526994502 1030390372 /nfs/dbraw/zinc/39/03/72/1030390372.db2.gz GWTIKENDVWBHFS-UKRRQHHQSA-N 1 0 328.412 4.194 20 5 EIBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(OC(F)F)c1 ZINC000324678136 1030390674 /nfs/dbraw/zinc/39/06/74/1030390674.db2.gz NTXYVQDXVPOZIE-LBPRGKRZSA-N 1 0 336.338 4.090 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3CCC3CCCC3)nc2c1 ZINC001168176724 1030747929 /nfs/dbraw/zinc/74/79/29/1030747929.db2.gz YEMNTAHVNPBJKS-HNNXBMFYSA-N 1 0 342.443 4.406 20 5 EIBDRO C[N@H+](Cc1cccc(-c2cccnc2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000179315583 1030898538 /nfs/dbraw/zinc/89/85/38/1030898538.db2.gz OBBXGMKUFWHUJD-UHFFFAOYSA-N 1 0 333.391 4.289 20 5 EIBDRO CC(C)c1ccc(C[NH+]2CCC([C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000188256933 1030997962 /nfs/dbraw/zinc/99/79/62/1030997962.db2.gz PENBBHIJLBYHPM-LJQANCHMSA-N 1 0 332.444 4.109 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CC(c2ccccc2)C1)C1CC1 ZINC000546687866 1031073782 /nfs/dbraw/zinc/07/37/82/1031073782.db2.gz TUHVNQOSQYPTOS-SOAGJPPSSA-N 1 0 336.435 4.452 20 5 EIBDRO Cc1c(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)cccc1[N+](=O)[O-] ZINC000179591172 1031222806 /nfs/dbraw/zinc/22/28/06/1031222806.db2.gz QBFGNSRDUQMGIZ-GFCCVEGCSA-N 1 0 336.338 4.355 20 5 EIBDRO CCOc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C(C)C)cc1 ZINC000520173721 1031325623 /nfs/dbraw/zinc/32/56/23/1031325623.db2.gz YCIPFUSCPUNNOU-UHFFFAOYSA-N 1 0 328.412 4.404 20 5 EIBDRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897466600 1031403756 /nfs/dbraw/zinc/40/37/56/1031403756.db2.gz YAZMNNJDHWUQSF-CYBMUJFWSA-N 1 0 344.459 4.056 20 5 EIBDRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897466601 1031404446 /nfs/dbraw/zinc/40/44/46/1031404446.db2.gz YAZMNNJDHWUQSF-ZDUSSCGKSA-N 1 0 344.459 4.056 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000449067968 1031420721 /nfs/dbraw/zinc/42/07/21/1031420721.db2.gz PNTGMIZBOUQVHM-CHWSQXEVSA-N 1 0 332.375 4.024 20 5 EIBDRO CCN(CC)[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000531706667 1031490893 /nfs/dbraw/zinc/49/08/93/1031490893.db2.gz RPQIJPNLWBHLHG-CRAIPNDOSA-N 1 0 345.443 4.230 20 5 EIBDRO COc1ccccc1O[C@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531724913 1031527796 /nfs/dbraw/zinc/52/77/96/1031527796.db2.gz BEGBOELGVXLMJT-HUUCEWRRSA-N 1 0 344.411 4.030 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000449254916 1031572022 /nfs/dbraw/zinc/57/20/22/1031572022.db2.gz AEQDOWRRLJIQHM-CHWSQXEVSA-N 1 0 341.436 4.486 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCCc2cccnc2)cc1[N+](=O)[O-] ZINC000453147108 1031623563 /nfs/dbraw/zinc/62/35/63/1031623563.db2.gz IQXGVEGUUGGWKR-JKSUJKDBSA-N 1 0 327.428 4.360 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccc(Br)cc3)CC2)cc1 ZINC000236680571 1031646893 /nfs/dbraw/zinc/64/68/93/1031646893.db2.gz RYQVCYRLXYZFPH-UHFFFAOYSA-N 1 0 347.212 4.136 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000449368718 1031660844 /nfs/dbraw/zinc/66/08/44/1031660844.db2.gz MXJSMQWFQZPCIE-SSZFMOIBSA-N 1 0 344.455 4.015 20 5 EIBDRO CC(C)OCC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000612574826 1031666906 /nfs/dbraw/zinc/66/69/06/1031666906.db2.gz HXCMVPRECPAIHC-ZDUSSCGKSA-N 1 0 334.441 4.399 20 5 EIBDRO CC(C)c1ccc(C[NH2+]CC(C)(C)c2ccccn2)cc1[N+](=O)[O-] ZINC000449395163 1031685250 /nfs/dbraw/zinc/68/52/50/1031685250.db2.gz IGLHGVFOLBFSQX-UHFFFAOYSA-N 1 0 327.428 4.181 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)OC)cc1 ZINC000453229428 1031749043 /nfs/dbraw/zinc/74/90/43/1031749043.db2.gz QXMYYIZEWCBATC-UGSOOPFHSA-N 1 0 342.395 4.183 20 5 EIBDRO CO[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1(C)C ZINC000449503363 1031812087 /nfs/dbraw/zinc/81/20/87/1031812087.db2.gz TYHOYZMYRSATGK-SFHVURJKSA-N 1 0 344.411 4.102 20 5 EIBDRO CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1(C)C ZINC000449506983 1031813641 /nfs/dbraw/zinc/81/36/41/1031813641.db2.gz ZXSGDYVUDMUZNV-GOSISDBHSA-N 1 0 344.411 4.102 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1c[nH]c2ccccc12 ZINC000531932695 1031840803 /nfs/dbraw/zinc/84/08/03/1031840803.db2.gz BGNAOCPARRXIKK-HNNXBMFYSA-N 1 0 337.423 4.230 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1nccn1CC ZINC000453353942 1031884328 /nfs/dbraw/zinc/88/43/28/1031884328.db2.gz NYUMIGRUDRBLPH-ZIAGYGMSSA-N 1 0 348.472 4.033 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCC[C@H]2CCOC2)s1 ZINC000449683490 1031926997 /nfs/dbraw/zinc/92/69/97/1031926997.db2.gz NTNBTTQVXXWLTM-AWEZNQCLSA-N 1 0 346.452 4.230 20 5 EIBDRO CC1(C)C[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000453587107 1032032782 /nfs/dbraw/zinc/03/27/82/1032032782.db2.gz WLPCNKXWVMWVJG-AWEZNQCLSA-N 1 0 344.411 4.150 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532124863 1032053220 /nfs/dbraw/zinc/05/32/20/1032053220.db2.gz KEFIRLAXHQPQCY-LSDHHAIUSA-N 1 0 348.443 4.100 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532127307 1032053620 /nfs/dbraw/zinc/05/36/20/1032053620.db2.gz RYFAFPJRDBJDHZ-LSDHHAIUSA-N 1 0 348.443 4.100 20 5 EIBDRO C[C@@H]([NH2+]CCC(C)(C)CO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453282675 1033771780 /nfs/dbraw/zinc/77/17/80/1033771780.db2.gz URXAKHUHMZSOCA-CYBMUJFWSA-N 1 0 348.468 4.383 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433144170 1033911984 /nfs/dbraw/zinc/91/19/84/1033911984.db2.gz BETOPIINLYLDBH-QGZVFWFLSA-N 1 0 332.350 4.385 20 5 EIBDRO CC(C)C[NH+]1CCC(N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433150072 1033947966 /nfs/dbraw/zinc/94/79/66/1033947966.db2.gz VLVHDSAUGNAOKM-IBGZPJMESA-N 1 0 345.487 4.027 20 5 EIBDRO Cc1csc([C@@H](C)C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000433225254 1034070948 /nfs/dbraw/zinc/07/09/48/1034070948.db2.gz ATDSYWCICAWLMI-MEDUHNTESA-N 1 0 345.468 4.475 20 5 EIBDRO CC[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000433283911 1034187443 /nfs/dbraw/zinc/18/74/43/1034187443.db2.gz DOFPSZPKDUCKQW-QZTJIDSGSA-N 1 0 332.444 4.112 20 5 EIBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000120624877 1034663542 /nfs/dbraw/zinc/66/35/42/1034663542.db2.gz LOXSVZPLHUKCQR-CQSZACIVSA-N 1 0 349.390 4.037 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000595015482 1035505918 /nfs/dbraw/zinc/50/59/18/1035505918.db2.gz OBULAUDZTGPSLL-DIFFPNOSSA-N 1 0 330.359 4.081 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000595019848 1035510419 /nfs/dbraw/zinc/51/04/19/1035510419.db2.gz RABPGRMFTMOIAX-PIGZYNQJSA-N 1 0 330.359 4.081 20 5 EIBDRO C[C@@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1(F)F ZINC000594982589 1035515748 /nfs/dbraw/zinc/51/57/48/1035515748.db2.gz AVFARYDLKSPGAI-HNNXBMFYSA-N 1 0 338.379 4.458 20 5 EIBDRO C[C@@]1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1(F)F ZINC000594987154 1035520437 /nfs/dbraw/zinc/52/04/37/1035520437.db2.gz WWYVQDFICPWLKB-HNNXBMFYSA-N 1 0 338.379 4.458 20 5 EIBDRO COc1ccc([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1F ZINC000595002925 1035526113 /nfs/dbraw/zinc/52/61/13/1035526113.db2.gz BQVOTKVWWUHVFC-NEPJUHHUSA-N 1 0 348.374 4.163 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccc(OC)cc1 ZINC000595004873 1035530331 /nfs/dbraw/zinc/53/03/31/1035530331.db2.gz VBPBHOMMTLCUME-UGSOOPFHSA-N 1 0 344.411 4.414 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc3cnccc3o2)cc1[N+](=O)[O-] ZINC000595030238 1035558262 /nfs/dbraw/zinc/55/82/62/1035558262.db2.gz ZQAXFPGMQFNVAD-OLZOCXBDSA-N 1 0 325.368 4.456 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000595034497 1035562842 /nfs/dbraw/zinc/56/28/42/1035562842.db2.gz WECFLZRSZAOCBM-LLVKDONJSA-N 1 0 336.338 4.392 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1(c2ccccc2C)CC1 ZINC000595044543 1035563676 /nfs/dbraw/zinc/56/36/76/1035563676.db2.gz JMHLTFZQIYZKRN-CQSZACIVSA-N 1 0 326.396 4.252 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000595046354 1035567227 /nfs/dbraw/zinc/56/72/27/1035567227.db2.gz PRTPSFRGTSXFLA-LEWSCRJBSA-N 1 0 346.349 4.375 20 5 EIBDRO CCC[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1cccc([N+](=O)[O-])c1 ZINC000595100049 1035588082 /nfs/dbraw/zinc/58/80/82/1035588082.db2.gz TUHNXMFEVLKHJD-SFHVURJKSA-N 1 0 342.443 4.227 20 5 EIBDRO CCC[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cccc([N+](=O)[O-])c1 ZINC000595088637 1035592211 /nfs/dbraw/zinc/59/22/11/1035592211.db2.gz KNLHOGDIBBZNBM-OALUTQOASA-N 1 0 326.396 4.419 20 5 EIBDRO C[C@]1(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000595078727 1035592826 /nfs/dbraw/zinc/59/28/26/1035592826.db2.gz ANUGGGVAGBCTRJ-LXZKKBNFSA-N 1 0 338.398 4.331 20 5 EIBDRO COc1cccc(C2([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)CCC2)c1 ZINC000595093969 1035606551 /nfs/dbraw/zinc/60/65/51/1035606551.db2.gz QNUBDHUBXKSKMS-CQSZACIVSA-N 1 0 326.396 4.333 20 5 EIBDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595297327 1035624299 /nfs/dbraw/zinc/62/42/99/1035624299.db2.gz RHWFDLMKOCGLGP-HZPDHXFCSA-N 1 0 329.400 4.049 20 5 EIBDRO CC[C@H](CC(F)F)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595331942 1035629016 /nfs/dbraw/zinc/62/90/16/1035629016.db2.gz ZHMKILBZUPPMDJ-CYBMUJFWSA-N 1 0 342.386 4.119 20 5 EIBDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000485070024 1035659011 /nfs/dbraw/zinc/65/90/11/1035659011.db2.gz BVTPGLRUOMXCKW-CQSZACIVSA-N 1 0 344.411 4.195 20 5 EIBDRO Cc1noc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000595450218 1035683739 /nfs/dbraw/zinc/68/37/39/1035683739.db2.gz SFKNCUZVQMTHAE-GVDBMIGSSA-N 1 0 341.411 4.049 20 5 EIBDRO CCOc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)ccc1OC ZINC000168816592 1035742237 /nfs/dbraw/zinc/74/22/37/1035742237.db2.gz IAARYVHHMJNPOJ-AWEZNQCLSA-N 1 0 344.411 4.161 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491061991 1035795436 /nfs/dbraw/zinc/79/54/36/1035795436.db2.gz PJFGFMXZMREVRC-MSOLQXFVSA-N 1 0 345.487 4.244 20 5 EIBDRO CC(C)(C)Oc1cc(NCc2ccc3c[nH+]cn3c2)ccc1[N+](=O)[O-] ZINC000413417886 1035797606 /nfs/dbraw/zinc/79/76/06/1035797606.db2.gz XFYURACJBMJKQQ-UHFFFAOYSA-N 1 0 340.383 4.032 20 5 EIBDRO Cc1cc([C@H]2CN([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)ccc1F ZINC000491160604 1035818919 /nfs/dbraw/zinc/81/89/19/1035818919.db2.gz IGMYATJJKQCGEI-AUUYWEPGSA-N 1 0 344.386 4.177 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1)c1cccc([N+](=O)[O-])c1 ZINC000586790610 1035847950 /nfs/dbraw/zinc/84/79/50/1035847950.db2.gz NSEYICRDRMZAJR-IAQYHMDHSA-N 1 0 341.367 4.244 20 5 EIBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCc3cc(N)ccc32)c2cc([N+](=O)[O-])ccc21 ZINC000596650005 1035956631 /nfs/dbraw/zinc/95/66/31/1035956631.db2.gz FLVRLMRQXYPRHZ-RBUKOAKNSA-N 1 0 337.423 4.177 20 5 EIBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC1CCCCC1 ZINC000044714925 1036010290 /nfs/dbraw/zinc/01/02/90/1036010290.db2.gz WTGOEHGYNNJXKA-CYBMUJFWSA-N 1 0 344.415 4.218 20 5 EIBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC1CCCCC1 ZINC000044714923 1036011895 /nfs/dbraw/zinc/01/18/95/1036011895.db2.gz WTGOEHGYNNJXKA-ZDUSSCGKSA-N 1 0 344.415 4.218 20 5 EIBDRO COC[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000571775769 1036249143 /nfs/dbraw/zinc/24/91/43/1036249143.db2.gz HKFHZEKSOHCXQS-DLBZAZTESA-N 1 0 346.814 4.213 20 5 EIBDRO COc1cc(C[N@H+](Cc2ccc(C)s2)C(C)C)ccc1[N+](=O)[O-] ZINC000485818629 1036302545 /nfs/dbraw/zinc/30/25/45/1036302545.db2.gz SAPUFUPFHQEJPW-UHFFFAOYSA-N 1 0 334.441 4.384 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC1(F)F ZINC000588232573 1036305824 /nfs/dbraw/zinc/30/58/24/1036305824.db2.gz OLIGMEQGVKCERD-BXUZGUMPSA-N 1 0 330.400 4.243 20 5 EIBDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000760697342 1036384735 /nfs/dbraw/zinc/38/47/35/1036384735.db2.gz BYLXKAPHEGSICO-NPMXOYFQSA-N 1 0 325.477 4.240 20 5 EIBDRO CCc1ccc([C@H]([NH2+][C@@H]2CCCSC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000572043373 1036399483 /nfs/dbraw/zinc/39/94/83/1036399483.db2.gz LJHFXFBPEHACBO-RDTXWAMCSA-N 1 0 346.452 4.325 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293735223 1036420088 /nfs/dbraw/zinc/42/00/88/1036420088.db2.gz NEPALPPUOCRXFJ-MEBBXXQBSA-N 1 0 347.415 4.204 20 5 EIBDRO Cc1ccsc1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602524975 1036494536 /nfs/dbraw/zinc/49/45/36/1036494536.db2.gz PJKNAGZKCRRDCC-UHFFFAOYSA-N 1 0 347.259 4.079 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CCCCC(F)(F)C3)nc2c1 ZINC000602673603 1036552668 /nfs/dbraw/zinc/55/26/68/1036552668.db2.gz WGXYMVUTCZGQTF-LLVKDONJSA-N 1 0 339.342 4.041 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ccc(C(F)F)nc3)C2)cc1 ZINC000602686487 1036561845 /nfs/dbraw/zinc/56/18/45/1036561845.db2.gz VXHLIIVNFFNVCY-OAHLLOKOSA-N 1 0 347.365 4.307 20 5 EIBDRO C[C@@]1(CC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(F)F ZINC000602707829 1036582638 /nfs/dbraw/zinc/58/26/38/1036582638.db2.gz AZYFWFCIRDHMMU-GFCCVEGCSA-N 1 0 338.276 4.139 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Cc2nccs2)CC1 ZINC000602954941 1036686236 /nfs/dbraw/zinc/68/62/36/1036686236.db2.gz JPHHBAYLXKIXHN-CYBMUJFWSA-N 1 0 331.441 4.067 20 5 EIBDRO COc1ccccc1C[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000237257162 1036702236 /nfs/dbraw/zinc/70/22/36/1036702236.db2.gz VPYDLZNNOBTYNJ-GJZGRUSLSA-N 1 0 328.412 4.194 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@@H]3CC3(F)F)s2)cc1 ZINC000598649967 1036737251 /nfs/dbraw/zinc/73/72/51/1036737251.db2.gz VWTOGYZMBAAVCE-GFCCVEGCSA-N 1 0 338.379 4.458 20 5 EIBDRO Cc1cc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc(C)n1 ZINC000421855602 1036810364 /nfs/dbraw/zinc/81/03/64/1036810364.db2.gz MTRBSIYDCWCGSS-GOSISDBHSA-N 1 0 325.412 4.119 20 5 EIBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccncc1Cl ZINC000421841661 1036820805 /nfs/dbraw/zinc/82/08/05/1036820805.db2.gz JIDYJFOEPSIXNY-CYBMUJFWSA-N 1 0 333.819 4.317 20 5 EIBDRO CC(C)OC1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000598986270 1036832370 /nfs/dbraw/zinc/83/23/70/1036832370.db2.gz GULNCWKDMJCSBM-UHFFFAOYSA-N 1 0 326.824 4.074 20 5 EIBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599015710 1036853300 /nfs/dbraw/zinc/85/33/00/1036853300.db2.gz KEHLRMNOAOIMFC-CQSZACIVSA-N 1 0 330.432 4.065 20 5 EIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000590160023 1036995635 /nfs/dbraw/zinc/99/56/35/1036995635.db2.gz ZZPCPCGYJPNRHU-NSHDSACASA-N 1 0 340.301 4.196 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2CCC(C(F)(F)F)CC2)cc1 ZINC000183699889 1037013352 /nfs/dbraw/zinc/01/33/52/1037013352.db2.gz BBZGYZPBBULZFN-UHFFFAOYSA-N 1 0 330.350 4.096 20 5 EIBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cccc2ccccc21 ZINC000603850433 1037043910 /nfs/dbraw/zinc/04/39/10/1037043910.db2.gz DELUJESMADYDCT-UHFFFAOYSA-N 1 0 336.391 4.259 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000603890288 1037076709 /nfs/dbraw/zinc/07/67/09/1037076709.db2.gz XXKKLFLWLNGSHV-INIZCTEOSA-N 1 0 335.407 4.456 20 5 EIBDRO COc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](C)C2CC2)cc1 ZINC000057601471 1037136178 /nfs/dbraw/zinc/13/61/78/1037136178.db2.gz HUASFFJJQIQFQQ-OAHLLOKOSA-N 1 0 340.423 4.404 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000604013357 1037151139 /nfs/dbraw/zinc/15/11/39/1037151139.db2.gz CIGXHSLOVGDNJV-GOSISDBHSA-N 1 0 326.396 4.249 20 5 EIBDRO COc1ccc(C[N@H+](C)[C@H](C)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000604081312 1037186319 /nfs/dbraw/zinc/18/63/19/1037186319.db2.gz MEACQXYZDUKZSE-OAHLLOKOSA-N 1 0 328.412 4.413 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](Nc1cnn(-c3cc[nH+]cc3)c1)CCCC2 ZINC000591348145 1037391100 /nfs/dbraw/zinc/39/11/00/1037391100.db2.gz YXOJZCQYRVOMMK-IBGZPJMESA-N 1 0 349.394 4.055 20 5 EIBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521169 1037404671 /nfs/dbraw/zinc/40/46/71/1037404671.db2.gz AIUASQZZGBFPHP-ICSRJNTNSA-N 1 0 340.423 4.195 20 5 EIBDRO Cc1ccc(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)cc1[N+](=O)[O-] ZINC000604532683 1037430347 /nfs/dbraw/zinc/43/03/47/1037430347.db2.gz QUBHWYVOJRKARO-UHFFFAOYSA-N 1 0 343.814 4.370 20 5 EIBDRO COc1ccccc1C(C)(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000488485069 1037630480 /nfs/dbraw/zinc/63/04/80/1037630480.db2.gz WTUSRBVNELMRIN-NTMALXAHSA-N 1 0 326.396 4.142 20 5 EIBDRO CCOCC(C)(C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000559320815 1037642934 /nfs/dbraw/zinc/64/29/34/1037642934.db2.gz RHYGXCLHUPWFJS-UHFFFAOYSA-N 1 0 334.441 4.228 20 5 EIBDRO CCCn1nccc1C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000503414938 1037748336 /nfs/dbraw/zinc/74/83/36/1037748336.db2.gz GYCQHOFVQBIPDQ-OAHLLOKOSA-N 1 0 342.443 4.142 20 5 EIBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1 ZINC000592212363 1037814204 /nfs/dbraw/zinc/81/42/04/1037814204.db2.gz SPVYJKKDTSINBX-GXFFZTMASA-N 1 0 338.276 4.084 20 5 EIBDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000489077720 1037857798 /nfs/dbraw/zinc/85/77/98/1037857798.db2.gz ZMHSCAXASCPLNB-SCLBCKFNSA-N 1 0 348.468 4.210 20 5 EIBDRO CC1(CC(F)F)CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000592522410 1038139379 /nfs/dbraw/zinc/13/93/79/1038139379.db2.gz AYTURNCTEGXFQX-UHFFFAOYSA-N 1 0 336.338 4.332 20 5 EIBDRO CC1(CC(F)F)CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000592523706 1038141892 /nfs/dbraw/zinc/14/18/92/1038141892.db2.gz RJOCEEWZEQCEIF-UHFFFAOYSA-N 1 0 336.338 4.332 20 5 EIBDRO CC[C@@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000423352584 1038160574 /nfs/dbraw/zinc/16/05/74/1038160574.db2.gz KTPIGXULHKHJLC-RTBURBONSA-N 1 0 325.412 4.295 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)CCCN3)cc1[N+](=O)[O-] ZINC000423443894 1038224950 /nfs/dbraw/zinc/22/49/50/1038224950.db2.gz KYDXXMLZMGZMKS-AWEZNQCLSA-N 1 0 325.412 4.112 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3)cc1[N+](=O)[O-] ZINC000423443895 1038225922 /nfs/dbraw/zinc/22/59/22/1038225922.db2.gz KYDXXMLZMGZMKS-CQSZACIVSA-N 1 0 325.412 4.112 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCOCc1ccccc1 ZINC000490028236 1038310691 /nfs/dbraw/zinc/31/06/91/1038310691.db2.gz GKWLXFNSCVMEHR-MRXNPFEDSA-N 1 0 328.412 4.113 20 5 EIBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000173403375 1038311452 /nfs/dbraw/zinc/31/14/52/1038311452.db2.gz QPIFCDCPRAHOFW-JLTOFOAXSA-N 1 0 336.391 4.132 20 5 EIBDRO CSCc1cc(F)ccc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594496557 1038344983 /nfs/dbraw/zinc/34/49/83/1038344983.db2.gz NZPDOIMNXHZPSI-KRWDZBQOSA-N 1 0 346.427 4.374 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cccc(Br)c1 ZINC000594494231 1038345556 /nfs/dbraw/zinc/34/55/56/1038345556.db2.gz WXMWAVLNSUVFDQ-OAHLLOKOSA-N 1 0 347.212 4.134 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000574832584 1038435808 /nfs/dbraw/zinc/43/58/08/1038435808.db2.gz IDJKHEDNJGWLQV-ACJLOTCBSA-N 1 0 348.830 4.331 20 5 EIBDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000539056699 1038802918 /nfs/dbraw/zinc/80/29/18/1038802918.db2.gz WPSVHVOFPAHOPH-CKFHNAJUSA-N 1 0 344.411 4.030 20 5 EIBDRO Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539080468 1038826225 /nfs/dbraw/zinc/82/62/25/1038826225.db2.gz VRPSIYHXNCSWAG-KBXCAEBGSA-N 1 0 326.396 4.304 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC000504900493 1038835002 /nfs/dbraw/zinc/83/50/02/1038835002.db2.gz YURKLARLQSDPDX-SWLSCSKDSA-N 1 0 344.436 4.491 20 5 EIBDRO O=[N+]([O-])c1ccc(NC2CC([NH+]3CCCCC3)C2)cc1C(F)(F)F ZINC000480837556 1038836185 /nfs/dbraw/zinc/83/61/85/1038836185.db2.gz KOVXCXAXLQRNFU-UHFFFAOYSA-N 1 0 343.349 4.042 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000504920348 1038842764 /nfs/dbraw/zinc/84/27/64/1038842764.db2.gz NTNNSFCENOVJMI-SUMWQHHRSA-N 1 0 326.396 4.250 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1CCSCC1 ZINC000504927695 1038859739 /nfs/dbraw/zinc/85/97/39/1038859739.db2.gz SSCWGJOYJGDKMR-AWEZNQCLSA-N 1 0 340.514 4.198 20 5 EIBDRO Cc1cc(N2CC(c3ccccc3F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000461988785 1038868047 /nfs/dbraw/zinc/86/80/47/1038868047.db2.gz MRBHKVPXDOGKNP-UHFFFAOYSA-N 1 0 337.354 4.194 20 5 EIBDRO CO[C@H](C)C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000537616288 1038896858 /nfs/dbraw/zinc/89/68/58/1038896858.db2.gz MPLLZWXZTRDDQR-CQSZACIVSA-N 1 0 332.400 4.100 20 5 EIBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000537616864 1038910497 /nfs/dbraw/zinc/91/04/97/1038910497.db2.gz YKZJMGVJNGORJL-LJQANCHMSA-N 1 0 332.444 4.111 20 5 EIBDRO CC(C)CCOCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000608837123 1038924732 /nfs/dbraw/zinc/92/47/32/1038924732.db2.gz RBTCEGSFCVMSKF-UHFFFAOYSA-N 1 0 332.400 4.007 20 5 EIBDRO C[C@@H]1CC[C@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000481171049 1039062688 /nfs/dbraw/zinc/06/26/88/1039062688.db2.gz PKGWXEJRIGAWRO-IGCXYCKISA-N 1 0 329.400 4.164 20 5 EIBDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000481186047 1039090785 /nfs/dbraw/zinc/09/07/85/1039090785.db2.gz DBUWAKRPLNXDHM-INIZCTEOSA-N 1 0 329.400 4.308 20 5 EIBDRO C[N@@H+]1CC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000534270577 1039284561 /nfs/dbraw/zinc/28/45/61/1039284561.db2.gz BFTGSCCJZZWCRJ-RBUKOAKNSA-N 1 0 348.406 4.000 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000534329298 1039325194 /nfs/dbraw/zinc/32/51/94/1039325194.db2.gz ZZBNCGXPMHOKKF-CHWSQXEVSA-N 1 0 334.441 4.337 20 5 EIBDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000481344018 1039327267 /nfs/dbraw/zinc/32/72/67/1039327267.db2.gz JKPYWXNAWNOUBN-FZKQIMNGSA-N 1 0 348.830 4.157 20 5 EIBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000927035166 1039353097 /nfs/dbraw/zinc/35/30/97/1039353097.db2.gz GCDRUFRZAYDBHI-DOMZBBRYSA-N 1 0 338.448 4.073 20 5 EIBDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000478052788 1039360139 /nfs/dbraw/zinc/36/01/39/1039360139.db2.gz IBXAPRUPVACBBB-MRXNPFEDSA-N 1 0 345.468 4.432 20 5 EIBDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000481375622 1039362480 /nfs/dbraw/zinc/36/24/80/1039362480.db2.gz IOXLGOLXDYOZPO-YVEFUNNKSA-N 1 0 334.803 4.114 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000552333331 1039387717 /nfs/dbraw/zinc/38/77/17/1039387717.db2.gz BKZKMWJVULTINV-KGLIPLIRSA-N 1 0 338.411 4.143 20 5 EIBDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000481415999 1039404396 /nfs/dbraw/zinc/40/43/96/1039404396.db2.gz YNCRMPFDWBKEJE-SCLBCKFNSA-N 1 0 348.830 4.422 20 5 EIBDRO COc1ccc(C[N@H+](C)Cc2cccc(OC(C)C)c2)cc1[N+](=O)[O-] ZINC000534477641 1039484484 /nfs/dbraw/zinc/48/44/84/1039484484.db2.gz KLATZIVYGXSNFV-UHFFFAOYSA-N 1 0 344.411 4.023 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000478235995 1039580728 /nfs/dbraw/zinc/58/07/28/1039580728.db2.gz OHMQWJXFIWNEDD-ZYHUDNBSSA-N 1 0 334.313 4.192 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC12CCCCC2 ZINC000534727683 1039743263 /nfs/dbraw/zinc/74/32/63/1039743263.db2.gz FSXSUYARWIERSU-UHFFFAOYSA-N 1 0 345.443 4.031 20 5 EIBDRO COc1cc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccc1SC ZINC000478476311 1039772147 /nfs/dbraw/zinc/77/21/47/1039772147.db2.gz BSEISNCEDYHPEG-ZDUSSCGKSA-N 1 0 346.452 4.485 20 5 EIBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cc(C)ccc1OC ZINC000478477685 1039774670 /nfs/dbraw/zinc/77/46/70/1039774670.db2.gz CHTXWYRNCSJJIG-KRWDZBQOSA-N 1 0 328.412 4.461 20 5 EIBDRO Cc1nc(-c2ccc(CNCc3csc([N+](=O)[O-])c3)cc2)cs1 ZINC000550877806 1039815962 /nfs/dbraw/zinc/81/59/62/1039815962.db2.gz QKMGSKFKYQMZPR-UHFFFAOYSA-N 1 0 345.449 4.378 20 5 EIBDRO C[C@]12CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]1C2(F)F ZINC000430103486 1039845518 /nfs/dbraw/zinc/84/55/18/1039845518.db2.gz KBKPEJZCNQMCGZ-SJORKVTESA-N 1 0 348.349 4.332 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000481838466 1039854690 /nfs/dbraw/zinc/85/46/90/1039854690.db2.gz QPDWWESPNFFPMG-UHFFFAOYSA-N 1 0 334.778 4.365 20 5 EIBDRO CCN(CC)[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000481956228 1039914169 /nfs/dbraw/zinc/91/41/69/1039914169.db2.gz CCQJMWHOJHZFOJ-CRAIPNDOSA-N 1 0 345.443 4.230 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCCO1 ZINC000535201397 1040046000 /nfs/dbraw/zinc/04/60/00/1040046000.db2.gz KJQJERCDHZOTJX-WBVHZDCISA-N 1 0 346.452 4.371 20 5 EIBDRO COC1(CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000551243969 1040091029 /nfs/dbraw/zinc/09/10/29/1040091029.db2.gz QAWPHAYMRIHELS-IBGZPJMESA-N 1 0 340.423 4.233 20 5 EIBDRO CCC[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000482514002 1040310870 /nfs/dbraw/zinc/31/08/70/1040310870.db2.gz SBYWMPLRKXIDMS-IFXJQAMLSA-N 1 0 328.412 4.362 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000122172806 1040340359 /nfs/dbraw/zinc/34/03/59/1040340359.db2.gz FAVUYEKECJCNIO-OLZOCXBDSA-N 1 0 332.375 4.463 20 5 EIBDRO CCC[C@@H]([NH2+][C@H]1CCN(C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000482638612 1040402973 /nfs/dbraw/zinc/40/29/73/1040402973.db2.gz BHPDNUFWTLSHPH-QFBILLFUSA-N 1 0 331.460 4.043 20 5 EIBDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000479495657 1040405328 /nfs/dbraw/zinc/40/53/28/1040405328.db2.gz KXGYOMZPNUMACR-QFBILLFUSA-N 1 0 342.439 4.283 20 5 EIBDRO CCC[C@H](O)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482949535 1040592192 /nfs/dbraw/zinc/59/21/92/1040592192.db2.gz WIQQJWDBCRAFSD-OLZOCXBDSA-N 1 0 334.441 4.135 20 5 EIBDRO C[C@@H](NCC(C)(C)[NH2+][C@H](C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000482955522 1040602400 /nfs/dbraw/zinc/60/24/00/1040602400.db2.gz ZZAYZEOSRTVQAB-HZPDHXFCSA-N 1 0 341.455 4.375 20 5 EIBDRO CC[C@H]([NH2+]CCCCc1nc(C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000160690467 1040671501 /nfs/dbraw/zinc/67/15/01/1040671501.db2.gz VMEZPAKWRJKJJF-INIZCTEOSA-N 1 0 333.457 4.423 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000483127458 1040720031 /nfs/dbraw/zinc/72/00/31/1040720031.db2.gz FILJMGVOJHCZDL-AEFFLSMTSA-N 1 0 339.439 4.223 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000483165065 1040751928 /nfs/dbraw/zinc/75/19/28/1040751928.db2.gz BEGGDRSAHYLORG-PBHICJAKSA-N 1 0 343.402 4.054 20 5 EIBDRO CCc1ccc([C@H]([NH2+][C@H]2CC[C@@H](F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000554093041 1040775778 /nfs/dbraw/zinc/77/57/78/1040775778.db2.gz UIVIOIXKYXMNTI-QWQRMKEZSA-N 1 0 332.375 4.320 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000539861754 1040846998 /nfs/dbraw/zinc/84/69/98/1040846998.db2.gz BHICDXVWICIPEZ-WEVVVXLNSA-N 1 0 344.455 4.279 20 5 EIBDRO C[C@@H]1CCSCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000483425027 1040849886 /nfs/dbraw/zinc/84/98/86/1040849886.db2.gz WXBRKWGFRZWBRA-CYBMUJFWSA-N 1 0 332.425 4.182 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](C)Oc2ccccc2F)cccc1[N+](=O)[O-] ZINC000483613523 1040911901 /nfs/dbraw/zinc/91/19/01/1040911901.db2.gz GMLWJNPEEHDZBK-TZMCWYRMSA-N 1 0 332.375 4.160 20 5 EIBDRO CC[NH+](CC)Cc1cccc(CNc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000462778508 1040918009 /nfs/dbraw/zinc/91/80/09/1040918009.db2.gz PTFNJAINVKOODT-UHFFFAOYSA-N 1 0 343.427 4.057 20 5 EIBDRO COc1cccc(C(C)(C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000537949922 1040917870 /nfs/dbraw/zinc/91/78/70/1040917870.db2.gz BJLCXFIFDXOIFD-AWEZNQCLSA-N 1 0 328.412 4.232 20 5 EIBDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000537964308 1040938004 /nfs/dbraw/zinc/93/80/04/1040938004.db2.gz MHUGJNGAIYZIIC-IQUTYRLHSA-N 1 0 344.411 4.030 20 5 EIBDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000483718284 1040974334 /nfs/dbraw/zinc/97/43/34/1040974334.db2.gz AMZKXOQDDLAUFZ-DZGCQCFKSA-N 1 0 348.468 4.381 20 5 EIBDRO Cc1c([C@H](C)NCCC[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000480159295 1041016318 /nfs/dbraw/zinc/01/63/18/1041016318.db2.gz LHMYLERCCRGCSV-KRWDZBQOSA-N 1 0 341.455 4.076 20 5 EIBDRO COC[C@@H]([NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000540149485 1041198991 /nfs/dbraw/zinc/19/89/91/1041198991.db2.gz UUUXOVHLKPAONH-IUODEOHRSA-N 1 0 346.452 4.399 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000484310115 1041204469 /nfs/dbraw/zinc/20/44/69/1041204469.db2.gz PHQXAQLSBFEEPK-BBRMVZONSA-N 1 0 345.830 4.178 20 5 EIBDRO CCC[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000540157073 1041206291 /nfs/dbraw/zinc/20/62/91/1041206291.db2.gz VMMJITFXQMUPQP-NZSAHSFTSA-N 1 0 334.460 4.477 20 5 EIBDRO COc1ccc(C[NH2+][C@H](C)c2cc3c(s2)CCCC3)cc1[N+](=O)[O-] ZINC000540171461 1041217289 /nfs/dbraw/zinc/21/72/89/1041217289.db2.gz XNDLKJWWEFRFSN-GFCCVEGCSA-N 1 0 346.452 4.395 20 5 EIBDRO CSc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000568511284 1041233749 /nfs/dbraw/zinc/23/37/49/1041233749.db2.gz RYQSTPQGLBVYKW-KRWDZBQOSA-N 1 0 328.437 4.484 20 5 EIBDRO C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000540189169 1041234172 /nfs/dbraw/zinc/23/41/72/1041234172.db2.gz YGVOOTFBPGJYCZ-STQMWFEESA-N 1 0 334.803 4.366 20 5 EIBDRO COC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1 ZINC000540185647 1041250658 /nfs/dbraw/zinc/25/06/58/1041250658.db2.gz WHJJIZYRWMKDJR-CXAGYDPISA-N 1 0 332.375 4.081 20 5 EIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000505863796 1041419425 /nfs/dbraw/zinc/41/94/25/1041419425.db2.gz HDFAHVZULWMCLA-INIZCTEOSA-N 1 0 328.387 4.331 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(CC)s2)cc1[N+](=O)[O-] ZINC000152921650 1041443068 /nfs/dbraw/zinc/44/30/68/1041443068.db2.gz FFTJQCLUEVXCEL-LBPRGKRZSA-N 1 0 334.441 4.468 20 5 EIBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(-c2cccnc2)c1 ZINC000554872642 1041464968 /nfs/dbraw/zinc/46/49/68/1041464968.db2.gz BLUREBSGKXEUBH-UHFFFAOYSA-N 1 0 347.418 4.331 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CCN(Cc1cccc(-c3cccnc3)c1)C2 ZINC000538728709 1041499327 /nfs/dbraw/zinc/49/93/27/1041499327.db2.gz RNHDPBOCUNUZOD-UHFFFAOYSA-N 1 0 345.402 4.215 20 5 EIBDRO CC[N@H+](CCc1nccs1)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000538751295 1041527580 /nfs/dbraw/zinc/52/75/80/1041527580.db2.gz BPYBMSYBPGOZPN-UHFFFAOYSA-N 1 0 333.457 4.239 20 5 EIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463456798 1041575107 /nfs/dbraw/zinc/57/51/07/1041575107.db2.gz SYPOJYQVODJNJE-CABCVRRESA-N 1 0 330.350 4.190 20 5 EIBDRO COc1cc(CN(C)[C@H](C)c2ccc(C)cc2)c([N+](=O)[O-])cc1F ZINC000463493779 1041589465 /nfs/dbraw/zinc/58/94/65/1041589465.db2.gz YSBQCLZSFPJSAC-CYBMUJFWSA-N 1 0 332.375 4.244 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000540662084 1041591801 /nfs/dbraw/zinc/59/18/01/1041591801.db2.gz IQVAJCVGTPGBGO-XJKSGUPXSA-N 1 0 345.830 4.178 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000540662081 1041593083 /nfs/dbraw/zinc/59/30/83/1041593083.db2.gz IQVAJCVGTPGBGO-BBRMVZONSA-N 1 0 345.830 4.178 20 5 EIBDRO Cc1c(C[NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000516500545 1041608343 /nfs/dbraw/zinc/60/83/43/1041608343.db2.gz YMHHUENBIGUDMA-BLVKFPJESA-N 1 0 328.387 4.456 20 5 EIBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000437073353 1041634803 /nfs/dbraw/zinc/63/48/03/1041634803.db2.gz GICKCZLZEPZQMU-GXTWGEPZSA-N 1 0 332.366 4.483 20 5 EIBDRO Cc1cc(CNc2ccc(Cl)cc2[N+](=O)[O-])cc(N2CCCC2)n1 ZINC000517208991 1041906521 /nfs/dbraw/zinc/90/65/21/1041906521.db2.gz YDMPYBNXWUBVGN-UHFFFAOYSA-N 1 0 346.818 4.164 20 5 EIBDRO COc1cc(C[NH2+][C@H](C)c2c(C)cccc2C)c([N+](=O)[O-])cc1F ZINC000464496629 1042048643 /nfs/dbraw/zinc/04/86/43/1042048643.db2.gz VTCFRMQGZWYNMR-CYBMUJFWSA-N 1 0 332.375 4.210 20 5 EIBDRO COc1ccc(C[NH2+]CC(C)(C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000517553246 1042071368 /nfs/dbraw/zinc/07/13/68/1042071368.db2.gz WXEKUZFITGKEFA-UHFFFAOYSA-N 1 0 348.830 4.324 20 5 EIBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000464769628 1042149585 /nfs/dbraw/zinc/14/95/85/1042149585.db2.gz IJWFSTUJIRNXCK-KGLIPLIRSA-N 1 0 328.865 4.354 20 5 EIBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000464771435 1042150920 /nfs/dbraw/zinc/15/09/20/1042150920.db2.gz FABPDIGWIWMFOQ-UHFFFAOYSA-N 1 0 346.814 4.292 20 5 EIBDRO C[C@H](c1ccccc1F)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464777503 1042159087 /nfs/dbraw/zinc/15/90/87/1042159087.db2.gz QGVFJJFYTZYQKR-CQSZACIVSA-N 1 0 344.386 4.338 20 5 EIBDRO CC(C)c1ccc(C[NH2+]C[C@H](C)Oc2ccccc2)cc1[N+](=O)[O-] ZINC000506277160 1042239058 /nfs/dbraw/zinc/23/90/58/1042239058.db2.gz KHZUITIMHJQHPQ-HNNXBMFYSA-N 1 0 328.412 4.275 20 5 EIBDRO COCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000271814051 1042412391 /nfs/dbraw/zinc/41/23/91/1042412391.db2.gz REJWVMFXWKNXJL-GJZGRUSLSA-N 1 0 344.411 4.032 20 5 EIBDRO CCc1nc2c(s1)[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])CCC2 ZINC000271841580 1042435724 /nfs/dbraw/zinc/43/57/24/1042435724.db2.gz VZVHUQVGAUHWCY-DGCLKSJQSA-N 1 0 331.441 4.342 20 5 EIBDRO CCCCOCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000518280416 1042450851 /nfs/dbraw/zinc/45/08/51/1042450851.db2.gz MQHFXLDLNJNWHN-UHFFFAOYSA-N 1 0 334.441 4.230 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](OC)c2ccccc2)cc1[N+](=O)[O-] ZINC000153120039 1042495112 /nfs/dbraw/zinc/49/51/12/1042495112.db2.gz BBTGNSQHGVZYQH-KUHUBIRLSA-N 1 0 344.411 4.032 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506482777 1042497718 /nfs/dbraw/zinc/49/77/18/1042497718.db2.gz UOXDJYWZXZCNFT-SQNIBIBYSA-N 1 0 345.487 4.242 20 5 EIBDRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130188969 1042549450 /nfs/dbraw/zinc/54/94/50/1042549450.db2.gz USXBTOOPDSUSFT-XGWLTEMNSA-N 1 0 343.427 4.262 20 5 EIBDRO CC(C)(NCc1cccc2c1OC(C)(C)C2)c1ccccc1[N+](=O)[O-] ZINC000492192074 1042575066 /nfs/dbraw/zinc/57/50/66/1042575066.db2.gz CZVKPJXYFKASFU-UHFFFAOYSA-N 1 0 340.423 4.333 20 5 EIBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000492223225 1042584791 /nfs/dbraw/zinc/58/47/91/1042584791.db2.gz KGZHTAYINVXCFH-BEVDRBHNSA-N 1 0 342.439 4.071 20 5 EIBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCS1 ZINC000426391429 1042634252 /nfs/dbraw/zinc/63/42/52/1042634252.db2.gz QWZAWUDEVANSRZ-ZDUSSCGKSA-N 1 0 332.425 4.182 20 5 EIBDRO CCOc1cc(CN[C@H](C)c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000492483415 1042669136 /nfs/dbraw/zinc/66/91/36/1042669136.db2.gz KLDSCJYGLHRGSR-GFCCVEGCSA-N 1 0 334.803 4.498 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000518795741 1042697412 /nfs/dbraw/zinc/69/74/12/1042697412.db2.gz CLEJTWXLHCPAIR-ROUUACIJSA-N 1 0 326.371 4.388 20 5 EIBDRO COc1cc(C[NH2+][C@H](CC(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000492728423 1042732666 /nfs/dbraw/zinc/73/26/66/1042732666.db2.gz OCCDXALORNZVDQ-QGZVFWFLSA-N 1 0 328.412 4.480 20 5 EIBDRO C[C@@H]1C[C@H](C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000493105093 1042819845 /nfs/dbraw/zinc/81/98/45/1042819845.db2.gz OLQSWHBVYFPZJM-JXXFODFXSA-N 1 0 340.423 4.089 20 5 EIBDRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000237177635 1042873478 /nfs/dbraw/zinc/87/34/78/1042873478.db2.gz QFBGVAKAWSNOKW-AWEZNQCLSA-N 1 0 346.452 4.121 20 5 EIBDRO CN(CCCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000761524108 1042874377 /nfs/dbraw/zinc/87/43/77/1042874377.db2.gz VBMVSZXHIVDTHY-UHFFFAOYSA-N 1 0 347.846 4.254 20 5 EIBDRO CC(C)Oc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000761524209 1042874655 /nfs/dbraw/zinc/87/46/55/1042874655.db2.gz YELCTYCCVDPSCC-UHFFFAOYSA-N 1 0 334.803 4.325 20 5 EIBDRO CC(C)Oc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000761521298 1042875273 /nfs/dbraw/zinc/87/52/73/1042875273.db2.gz LVQMZARBGOQWDC-UHFFFAOYSA-N 1 0 334.803 4.325 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)cc1Cl ZINC000761528007 1042875740 /nfs/dbraw/zinc/87/57/40/1042875740.db2.gz XAWCXZALWPMATD-OAHLLOKOSA-N 1 0 345.830 4.007 20 5 EIBDRO CSc1ccc(F)cc1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761526444 1042875851 /nfs/dbraw/zinc/87/58/51/1042875851.db2.gz MHEZFNSVOXJGHJ-UHFFFAOYSA-N 1 0 340.807 4.399 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000441534237 1042878329 /nfs/dbraw/zinc/87/83/29/1042878329.db2.gz KBKTWYAZQKWNGV-MSOLQXFVSA-N 1 0 345.487 4.100 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000473997930 1042933909 /nfs/dbraw/zinc/93/39/09/1042933909.db2.gz YNJRYLIBUCGXMX-KWRJMZDGSA-N 1 0 338.407 4.420 20 5 EIBDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000441652666 1042958233 /nfs/dbraw/zinc/95/82/33/1042958233.db2.gz BGQISMBDVWYRQW-HNNXBMFYSA-N 1 0 344.415 4.045 20 5 EIBDRO CCC[C@H]([NH2+]C[C@H](O)c1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000765955977 1043117916 /nfs/dbraw/zinc/11/79/16/1043117916.db2.gz XSLSICFKWTXKAA-OALUTQOASA-N 1 0 328.412 4.068 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@H](O)c1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000765955975 1043118968 /nfs/dbraw/zinc/11/89/68/1043118968.db2.gz XSLSICFKWTXKAA-MOPGFXCFSA-N 1 0 328.412 4.068 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]CC2CCC2)ccc1Oc1ccc(F)cc1 ZINC000507912379 1043185498 /nfs/dbraw/zinc/18/54/98/1043185498.db2.gz HDYWHAGFTZPHOD-UHFFFAOYSA-N 1 0 330.359 4.416 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000427984727 1043286651 /nfs/dbraw/zinc/28/66/51/1043286651.db2.gz YPFIQJYFRPHJDL-KBPBESRZSA-N 1 0 338.473 4.013 20 5 EIBDRO CC(C)OC1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000130279756 1043393664 /nfs/dbraw/zinc/39/36/64/1043393664.db2.gz OHQPHFUZHHSGPB-UHFFFAOYSA-N 1 0 326.824 4.074 20 5 EIBDRO O=[N+]([O-])c1cc(F)c(NC2CC[NH+](C3CCCCC3)CC2)c(F)c1 ZINC000301801285 1043474591 /nfs/dbraw/zinc/47/45/91/1043474591.db2.gz TVACRHPIENCTQC-UHFFFAOYSA-N 1 0 339.386 4.082 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000544386235 1043688401 /nfs/dbraw/zinc/68/84/01/1043688401.db2.gz SOAHLLXEUSBQHG-SFHVURJKSA-N 1 0 326.396 4.234 20 5 EIBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000066531220 1043727308 /nfs/dbraw/zinc/72/73/08/1043727308.db2.gz HUUGNFGFANALFB-OKILXGFUSA-N 1 0 329.400 4.055 20 5 EIBDRO COc1ccc([C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C(C)C)cc1 ZINC000172591971 1043805384 /nfs/dbraw/zinc/80/53/84/1043805384.db2.gz CJBWSJKSTKSJMP-IBGZPJMESA-N 1 0 344.411 4.099 20 5 EIBDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000494617778 1043842916 /nfs/dbraw/zinc/84/29/16/1043842916.db2.gz HAIXTLBFLLMRFR-JXFKEZNVSA-N 1 0 342.439 4.283 20 5 EIBDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000494617781 1043843445 /nfs/dbraw/zinc/84/34/45/1043843445.db2.gz HAIXTLBFLLMRFR-OXJNMPFZSA-N 1 0 342.439 4.283 20 5 EIBDRO CCc1nccn1[C@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245519153 1043958555 /nfs/dbraw/zinc/95/85/55/1043958555.db2.gz IKHWHUBLGMWKLH-WBVHZDCISA-N 1 0 342.443 4.060 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000245573732 1043997728 /nfs/dbraw/zinc/99/77/28/1043997728.db2.gz ZZJPTLQSCURFNP-MPGHIAIKSA-N 1 0 325.412 4.052 20 5 EIBDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494762415 1044078106 /nfs/dbraw/zinc/07/81/06/1044078106.db2.gz YQXXXASTJHGWJO-SCLBCKFNSA-N 1 0 348.830 4.157 20 5 EIBDRO C[C@@H]1CC([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000245876360 1044199036 /nfs/dbraw/zinc/19/90/36/1044199036.db2.gz AONIDROQAIQFMO-STXHMFSFSA-N 1 0 340.423 4.230 20 5 EIBDRO C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000543229307 1044199978 /nfs/dbraw/zinc/19/99/78/1044199978.db2.gz ZCUBNVPKJGGCSN-GJZGRUSLSA-N 1 0 344.411 4.150 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000245933501 1044215334 /nfs/dbraw/zinc/21/53/34/1044215334.db2.gz SVCJHFBQKCGDJV-PDSMFRHLSA-N 1 0 348.349 4.054 20 5 EIBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000301920261 1044229891 /nfs/dbraw/zinc/22/98/91/1044229891.db2.gz XDESELQKHAOMBB-ZFWWWQNUSA-N 1 0 335.448 4.057 20 5 EIBDRO C[C@@H](O)CC(C)(C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000174465638 1044276177 /nfs/dbraw/zinc/27/61/77/1044276177.db2.gz OBIPVCJAQPPMRN-CYBMUJFWSA-N 1 0 348.468 4.210 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000246434308 1044311518 /nfs/dbraw/zinc/31/15/18/1044311518.db2.gz ODFXYCKJPUIFEB-PMUMKWKESA-N 1 0 326.396 4.119 20 5 EIBDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000766208893 1044485586 /nfs/dbraw/zinc/48/55/86/1044485586.db2.gz ADKNROIVSRZODY-GFCCVEGCSA-N 1 0 334.803 4.017 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1(c3cccc(F)c3)CC1)CCC2 ZINC000193092767 1044513579 /nfs/dbraw/zinc/51/35/79/1044513579.db2.gz GIUCUOCTKFCYFR-GOSISDBHSA-N 1 0 326.371 4.390 20 5 EIBDRO Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000766210356 1044551826 /nfs/dbraw/zinc/55/18/26/1044551826.db2.gz DZYPVGYTBYLRQR-WMZOPIPTSA-N 1 0 339.439 4.223 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccc(F)c(F)c1F ZINC000543427967 1044587306 /nfs/dbraw/zinc/58/73/06/1044587306.db2.gz XMLSTNOMHDBYBS-LLVKDONJSA-N 1 0 338.329 4.214 20 5 EIBDRO COc1cc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000575201185 1044718858 /nfs/dbraw/zinc/71/88/58/1044718858.db2.gz YBRDOCVTSIFMDX-LBPRGKRZSA-N 1 0 334.803 4.150 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000922538029 1044804724 /nfs/dbraw/zinc/80/47/24/1044804724.db2.gz NMCJNGXXEAEGBO-GFCCVEGCSA-N 1 0 336.338 4.090 20 5 EIBDRO CC(C)C[NH+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000914866606 1044839411 /nfs/dbraw/zinc/83/94/11/1044839411.db2.gz OCXWWDBQJVQXBV-UHFFFAOYSA-N 1 0 343.383 4.161 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)CCOCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000389939599 1044846202 /nfs/dbraw/zinc/84/62/02/1044846202.db2.gz MBSXJIBCTMJJID-JKSUJKDBSA-N 1 0 328.412 4.241 20 5 EIBDRO C[C@@]1([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CCOc2ccccc21 ZINC000923027131 1044910331 /nfs/dbraw/zinc/91/03/31/1044910331.db2.gz ZJHRLQDKTXSIAF-QGZVFWFLSA-N 1 0 332.787 4.036 20 5 EIBDRO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000466674708 1044968510 /nfs/dbraw/zinc/96/85/10/1044968510.db2.gz ZXFBOLLNEFAECW-INIZCTEOSA-N 1 0 344.415 4.045 20 5 EIBDRO COc1ccc2c(c1)[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000495370082 1044996962 /nfs/dbraw/zinc/99/69/62/1044996962.db2.gz ZZEFICZPUPJTTG-QGZVFWFLSA-N 1 0 346.814 4.076 20 5 EIBDRO COCC[C@@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000495403807 1045062119 /nfs/dbraw/zinc/06/21/19/1045062119.db2.gz WVFJIORMPPCNDX-RHSMWYFYSA-N 1 0 346.427 4.185 20 5 EIBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1N(C)C ZINC000495415512 1045069145 /nfs/dbraw/zinc/06/91/45/1045069145.db2.gz QTUCPBBGUKPZTN-CYBMUJFWSA-N 1 0 347.846 4.208 20 5 EIBDRO CC[C@H]([NH2+]CCc1csc(C(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000157001883 1045122374 /nfs/dbraw/zinc/12/23/74/1045122374.db2.gz BXVXFUWJMKZXQZ-INIZCTEOSA-N 1 0 333.457 4.458 20 5 EIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000302030222 1045156099 /nfs/dbraw/zinc/15/60/99/1045156099.db2.gz RTSFQQGJBDSYJE-ZDUSSCGKSA-N 1 0 331.441 4.294 20 5 EIBDRO CS[C@H]1CCCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000302055798 1045157601 /nfs/dbraw/zinc/15/76/01/1045157601.db2.gz APEXOWLCGHFGDD-AWEZNQCLSA-N 1 0 331.441 4.173 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000162284778 1045244115 /nfs/dbraw/zinc/24/41/15/1045244115.db2.gz UAKIGRFNFPFYMJ-CHWSQXEVSA-N 1 0 332.375 4.463 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)c1ccncc1 ZINC000611248612 1045266513 /nfs/dbraw/zinc/26/65/13/1045266513.db2.gz KUVPOKDGVKONIB-GDBMZVCRSA-N 1 0 345.468 4.254 20 5 EIBDRO Cc1nc([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000611335957 1045282266 /nfs/dbraw/zinc/28/22/66/1045282266.db2.gz PKDASOKWLXRRPN-LBPRGKRZSA-N 1 0 333.457 4.342 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000611336769 1045283005 /nfs/dbraw/zinc/28/30/05/1045283005.db2.gz DUXWIKJNNHSHRW-QAPCUYQASA-N 1 0 334.460 4.101 20 5 EIBDRO CC[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCCC1 ZINC000611433624 1045308564 /nfs/dbraw/zinc/30/85/64/1045308564.db2.gz FDSNSOAHPCCSJQ-INIZCTEOSA-N 1 0 344.415 4.093 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCCCO1 ZINC000611471788 1045315819 /nfs/dbraw/zinc/31/58/19/1045315819.db2.gz MIMFBTCLIGEHMR-SUMWQHHRSA-N 1 0 346.452 4.371 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000611515614 1045321400 /nfs/dbraw/zinc/32/14/00/1045321400.db2.gz HCRBTJQTRCRNFZ-OXJNMPFZSA-N 1 0 340.423 4.428 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(-c3ccccc3F)o2)cc1 ZINC000609223352 1045441999 /nfs/dbraw/zinc/44/19/99/1045441999.db2.gz JBJMTYZETGKFCT-UHFFFAOYSA-N 1 0 340.354 4.326 20 5 EIBDRO COCC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000272544490 1045509187 /nfs/dbraw/zinc/50/91/87/1045509187.db2.gz CKFRGZFIHQVYSY-HOCLYGCPSA-N 1 0 332.400 4.233 20 5 EIBDRO COc1ccc([C@@H](C)[N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000768543721 1045822379 /nfs/dbraw/zinc/82/23/79/1045822379.db2.gz FPBDTUXRQIPGPJ-GFCCVEGCSA-N 1 0 334.803 4.450 20 5 EIBDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768549155 1045822479 /nfs/dbraw/zinc/82/24/79/1045822479.db2.gz RWQQPDRBFDXXPI-LBPRGKRZSA-N 1 0 334.803 4.017 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+](CC(C)(C)C)CC(C)(C)C ZINC001307648713 1045830496 /nfs/dbraw/zinc/83/04/96/1045830496.db2.gz CARJAGHTZYCYQZ-UHFFFAOYSA-N 1 0 349.475 4.236 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 ZINC001170295798 1045979626 /nfs/dbraw/zinc/97/96/26/1045979626.db2.gz FFTQMGDJKKMFKT-IVKJLDKCSA-N 1 0 344.455 4.093 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+]C(C)(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170294830 1045980838 /nfs/dbraw/zinc/98/08/38/1045980838.db2.gz CZAMEFAQYIMKOX-AWEZNQCLSA-N 1 0 328.412 4.059 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001170296970 1045982722 /nfs/dbraw/zinc/98/27/22/1045982722.db2.gz IXBMCZJWNXXUSR-CABCVRRESA-N 1 0 328.412 4.194 20 5 EIBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCc3ccc(C)cc32)c([N+](=O)[O-])c1 ZINC001170305848 1045984429 /nfs/dbraw/zinc/98/44/29/1045984429.db2.gz QQRARCSETBUKLS-LIRRHRJNSA-N 1 0 340.423 4.120 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ccccn3)s2)cc1 ZINC000067697120 1045987514 /nfs/dbraw/zinc/98/75/14/1045987514.db2.gz DJDWVCVPDBYYNZ-UHFFFAOYSA-N 1 0 325.393 4.008 20 5 EIBDRO COc1ccc2oc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)cc2c1 ZINC000123444556 1046115959 /nfs/dbraw/zinc/11/59/59/1046115959.db2.gz WNMCUZJMBZZSOH-GFCCVEGCSA-N 1 0 326.352 4.200 20 5 EIBDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000916837112 1046378581 /nfs/dbraw/zinc/37/85/81/1046378581.db2.gz XECZEDOQVNIZBF-MRXNPFEDSA-N 1 0 334.463 4.387 20 5 EIBDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC001170027840 1046437327 /nfs/dbraw/zinc/43/73/27/1046437327.db2.gz VJNSWEVDAOADFG-IBGZPJMESA-N 1 0 328.412 4.229 20 5 EIBDRO C[NH+]1C(C)(C)CC(Nc2cc3cccnc3c([N+](=O)[O-])c2)CC1(C)C ZINC001170451478 1046503280 /nfs/dbraw/zinc/50/32/80/1046503280.db2.gz NWHRBCNKQPVEQP-UHFFFAOYSA-N 1 0 342.443 4.206 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)CC3CC3)o2)c([N+](=O)[O-])c1 ZINC000497323828 1046597249 /nfs/dbraw/zinc/59/72/49/1046597249.db2.gz XSAGRNJPSIUGIL-GFCCVEGCSA-N 1 0 330.384 4.142 20 5 EIBDRO C[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000785570751 1046724297 /nfs/dbraw/zinc/72/42/97/1046724297.db2.gz TYAWQJHBBMRRDI-JKSUJKDBSA-N 1 0 331.460 4.122 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CCCc2cccs2)cc1[N+](=O)[O-] ZINC000536847870 1046820369 /nfs/dbraw/zinc/82/03/69/1046820369.db2.gz WXXUVDLIJYRYSL-ZDUSSCGKSA-N 1 0 334.441 4.338 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000459630270 1046820604 /nfs/dbraw/zinc/82/06/04/1046820604.db2.gz ASTXUCUNPZGUSX-CVEARBPZSA-N 1 0 327.428 4.360 20 5 EIBDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000536860401 1046828917 /nfs/dbraw/zinc/82/89/17/1046828917.db2.gz YPPWLJHHTFPRHH-LBPRGKRZSA-N 1 0 349.456 4.213 20 5 EIBDRO COC1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000459671169 1046849947 /nfs/dbraw/zinc/84/99/47/1046849947.db2.gz FYVZCNLPBIGQQL-UHFFFAOYSA-N 1 0 346.452 4.371 20 5 EIBDRO Cc1ccc([C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000788504180 1047208026 /nfs/dbraw/zinc/20/80/26/1047208026.db2.gz BRYZGPOEHVRPOK-BFUOFWGJSA-N 1 0 325.412 4.287 20 5 EIBDRO CC1(C)C[C@@H]([NH2+]CCc2ccc(Cl)nc2)c2cc([N+](=O)[O-])ccc21 ZINC000788593243 1047240821 /nfs/dbraw/zinc/24/08/21/1047240821.db2.gz VBNLIANUHOOLSQ-MRXNPFEDSA-N 1 0 345.830 4.198 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@H](C(C)C)[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000788627727 1047255180 /nfs/dbraw/zinc/25/51/80/1047255180.db2.gz QHIBWDRRBOEPOO-CWFSZBLJSA-N 1 0 342.439 4.312 20 5 EIBDRO CC[NH+](CC)Cc1cccc(N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788705629 1047271773 /nfs/dbraw/zinc/27/17/73/1047271773.db2.gz UAPYFYOJAAUWPS-AWEZNQCLSA-N 1 0 342.443 4.192 20 5 EIBDRO COc1cccc(C2=CC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000476268815 1047440646 /nfs/dbraw/zinc/44/06/46/1047440646.db2.gz MLBGVWOAOZIMBW-OAHLLOKOSA-N 1 0 338.407 4.454 20 5 EIBDRO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000609280932 1047476463 /nfs/dbraw/zinc/47/64/63/1047476463.db2.gz WXGMMIKGMMHSBS-GOSISDBHSA-N 1 0 326.396 4.331 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000897746836 1047481510 /nfs/dbraw/zinc/48/15/10/1047481510.db2.gz ZAJUOSGUDIAGJF-YOGCLGLASA-N 1 0 347.267 4.418 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898323026 1047616453 /nfs/dbraw/zinc/61/64/53/1047616453.db2.gz WHTWZCJXDFYTLD-IFXJQAMLSA-N 1 0 325.412 4.052 20 5 EIBDRO Cn1nncc1C[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC000808436527 1047900043 /nfs/dbraw/zinc/90/00/43/1047900043.db2.gz HHLCKCXQBHYGSB-UHFFFAOYSA-N 1 0 336.826 4.065 20 5 EIBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H](O)c1ccccc1 ZINC000808721192 1048069378 /nfs/dbraw/zinc/06/93/78/1048069378.db2.gz JGURAIHAAJCEOH-AGRHKRQWSA-N 1 0 340.423 4.029 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000556925052 1048217423 /nfs/dbraw/zinc/21/74/23/1048217423.db2.gz XVQLUZHJBCOROS-GXTWGEPZSA-N 1 0 342.361 4.238 20 5 EIBDRO c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000809687255 1048473777 /nfs/dbraw/zinc/47/37/77/1048473777.db2.gz WBHYISYOGMGTKR-HSZRJFAPSA-N 1 0 347.458 4.374 20 5 EIBDRO CSCc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000809711247 1048490992 /nfs/dbraw/zinc/49/09/92/1048490992.db2.gz PWDVNQSDQSERTQ-UHFFFAOYSA-N 1 0 336.844 4.401 20 5 EIBDRO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815561085 1048510451 /nfs/dbraw/zinc/51/04/51/1048510451.db2.gz XXTLVZNTOAYRDH-KGLIPLIRSA-N 1 0 343.427 4.376 20 5 EIBDRO CC(C)CO[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809953101 1048579212 /nfs/dbraw/zinc/57/92/12/1048579212.db2.gz ITQZXEFVTRHPBI-ZDUSSCGKSA-N 1 0 347.242 4.149 20 5 EIBDRO CC(C)([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCOCC1 ZINC000809997116 1048590894 /nfs/dbraw/zinc/59/08/94/1048590894.db2.gz VDCPLPSHAHATGI-UHFFFAOYSA-N 1 0 347.242 4.196 20 5 EIBDRO CO[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)(C)C ZINC000811482925 1049079850 /nfs/dbraw/zinc/07/98/50/1049079850.db2.gz XJHJJLVBJNZUCV-LBPRGKRZSA-N 1 0 335.231 4.052 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000806146431 1049163139 /nfs/dbraw/zinc/16/31/39/1049163139.db2.gz AQAVNAKVWGKNFV-RISCZKNCSA-N 1 0 331.803 4.290 20 5 EIBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000195595588 1049260551 /nfs/dbraw/zinc/26/05/51/1049260551.db2.gz MCFVCMIYKHZCFQ-CQSZACIVSA-N 1 0 330.432 4.065 20 5 EIBDRO Cc1c(C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000609916537 1049394792 /nfs/dbraw/zinc/39/47/92/1049394792.db2.gz WOKHAKDQRYAPKR-CXAGYDPISA-N 1 0 328.387 4.420 20 5 EIBDRO CCCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H](C)C1 ZINC001170683706 1049542419 /nfs/dbraw/zinc/54/24/19/1049542419.db2.gz SZZXNQUQSCGXAB-IPELMVKDSA-N 1 0 334.460 4.309 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000773112809 1049590607 /nfs/dbraw/zinc/59/06/07/1049590607.db2.gz AKKWOYGFGKZIGE-RTBURBONSA-N 1 0 346.402 4.072 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000773138504 1049603448 /nfs/dbraw/zinc/60/34/48/1049603448.db2.gz LPGJVIJRQBZTPM-JJXSEGSLSA-N 1 0 338.498 4.015 20 5 EIBDRO CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C)[C@H](O)c1ccccc1 ZINC000812849303 1049611880 /nfs/dbraw/zinc/61/18/80/1049611880.db2.gz NHJVYLGTGWDZDL-UGSOOPFHSA-N 1 0 348.830 4.192 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC001171670384 1049773660 /nfs/dbraw/zinc/77/36/60/1049773660.db2.gz DNZMJQAFRRKAJV-KGLIPLIRSA-N 1 0 328.387 4.457 20 5 EIBDRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000615802284 1049781166 /nfs/dbraw/zinc/78/11/66/1049781166.db2.gz IMSKPNSVAZFCIX-CQSZACIVSA-N 1 0 346.349 4.027 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3oc(-c4ccccc4)cc3C2)cc1 ZINC001171791203 1049804742 /nfs/dbraw/zinc/80/47/42/1049804742.db2.gz CVVVPGPTSMECKL-UHFFFAOYSA-N 1 0 348.402 4.456 20 5 EIBDRO C[C@@H]([NH2+]CCCO[C@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000216752595 1049863997 /nfs/dbraw/zinc/86/39/97/1049863997.db2.gz IAEQYTHVYJNMQG-HZPDHXFCSA-N 1 0 328.412 4.413 20 5 EIBDRO Cc1ccc(F)cc1C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898178 1050202870 /nfs/dbraw/zinc/20/28/70/1050202870.db2.gz HKCFFOYBXUJLNF-SFHVURJKSA-N 1 0 328.387 4.080 20 5 EIBDRO CC(C)(CC1CCOCC1)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900052 1050203007 /nfs/dbraw/zinc/20/30/07/1050203007.db2.gz BESSECRXHURYNG-GOSISDBHSA-N 1 0 346.471 4.027 20 5 EIBDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172898071 1050203304 /nfs/dbraw/zinc/20/33/04/1050203304.db2.gz GCWDQFWHMADGFI-KBXCAEBGSA-N 1 0 340.423 4.202 20 5 EIBDRO CC[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ncccc1C ZINC001172898187 1050203876 /nfs/dbraw/zinc/20/38/76/1050203876.db2.gz HLVAKFUJVLHQAY-IEBWSBKVSA-N 1 0 339.439 4.287 20 5 EIBDRO [NH3+]Cc1ccc2ccn([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)c2c1 ZINC001172897600 1050204056 /nfs/dbraw/zinc/20/40/56/1050204056.db2.gz AZGVKEZUEXUDCZ-SFHVURJKSA-N 1 0 335.407 4.128 20 5 EIBDRO CCC[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccncc1 ZINC001172904313 1050204479 /nfs/dbraw/zinc/20/44/79/1050204479.db2.gz WYBGUAWQLWGPSJ-AZUAARDMSA-N 1 0 339.439 4.368 20 5 EIBDRO COc1ccccc1[C@@H](C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900475 1050204701 /nfs/dbraw/zinc/20/47/01/1050204701.db2.gz UDJYDYBWOTWSTG-PBHICJAKSA-N 1 0 340.423 4.202 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCc3c1cccc3F)CC2 ZINC001172904283 1050205153 /nfs/dbraw/zinc/20/51/53/1050205153.db2.gz WKHKLHGPBSZPLZ-QRWLVFNGSA-N 1 0 340.398 4.258 20 5 EIBDRO CC(C)[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccn1 ZINC001172902441 1050205340 /nfs/dbraw/zinc/20/53/40/1050205340.db2.gz YLCHOLWVERBKSX-YLJYHZDGSA-N 1 0 339.439 4.224 20 5 EIBDRO CC(C)[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccnc1 ZINC001172904918 1050207418 /nfs/dbraw/zinc/20/74/18/1050207418.db2.gz BIICCQNZBMFNKU-ICSRJNTNSA-N 1 0 339.439 4.224 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cccc3cccnc31)CC2 ZINC001172904933 1050207570 /nfs/dbraw/zinc/20/75/70/1050207570.db2.gz GWOZBORZOBGPMS-LJQANCHMSA-N 1 0 347.418 4.180 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccc(F)c(F)c1 ZINC001172913870 1050231153 /nfs/dbraw/zinc/23/11/53/1050231153.db2.gz ZYPTXNBYPPXFTB-MLGOLLRUSA-N 1 0 346.377 4.471 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cc3ccccc3o1)CC2 ZINC001172913659 1050231189 /nfs/dbraw/zinc/23/11/89/1050231189.db2.gz YHIYKFQKCYPLII-KRWDZBQOSA-N 1 0 336.391 4.378 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@H](c3ccccc3)C1)CC2 ZINC001172909589 1050245238 /nfs/dbraw/zinc/24/52/38/1050245238.db2.gz TYMRMBWNTLAFGW-PMACEKPBSA-N 1 0 336.435 4.332 20 5 EIBDRO CC(C)c1ccc(C[NH2+]CCCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC001177803876 1050304671 /nfs/dbraw/zinc/30/46/71/1050304671.db2.gz JZNUBKUWOBXXIF-UHFFFAOYSA-N 1 0 328.412 4.146 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CCCC[C@H]2C)c1F ZINC001173176014 1050334696 /nfs/dbraw/zinc/33/46/96/1050334696.db2.gz FNUCKMQUDZRIOA-RDBSUJKOSA-N 1 0 338.423 4.089 20 5 EIBDRO CCCC(CCC)[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173179905 1050337484 /nfs/dbraw/zinc/33/74/84/1050337484.db2.gz RTSYFOHORFVPED-LBPRGKRZSA-N 1 0 326.412 4.232 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)[C@H]2CC[C@H](C)CC2)c1F ZINC001173194653 1050340148 /nfs/dbraw/zinc/34/01/48/1050340148.db2.gz XRZKCYMRUUKYMU-IHRRRGAJSA-N 1 0 338.423 4.184 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2c(C)cccc2C)c1F ZINC001173193674 1050340678 /nfs/dbraw/zinc/34/06/78/1050340678.db2.gz VJXCSTDLMCDNGY-CQSZACIVSA-N 1 0 346.402 4.080 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC001173218223 1050351013 /nfs/dbraw/zinc/35/10/13/1050351013.db2.gz CDURAZGVNYKROS-DJJJIMSYSA-N 1 0 328.387 4.332 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cc(CCC[NH3+])c2ccccc21 ZINC001173215379 1050351153 /nfs/dbraw/zinc/35/11/53/1050351153.db2.gz VUAGOAKIDJDWTE-HNNXBMFYSA-N 1 0 337.423 4.245 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC001173218149 1050351188 /nfs/dbraw/zinc/35/11/88/1050351188.db2.gz JHTWHFHZRVXNRG-AUUYWEPGSA-N 1 0 328.412 4.275 20 5 EIBDRO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173220322 1050352888 /nfs/dbraw/zinc/35/28/88/1050352888.db2.gz YHDKTKOZTKVPMZ-LSDHHAIUSA-N 1 0 328.412 4.275 20 5 EIBDRO Cc1ccccc1CC1(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173224155 1050354354 /nfs/dbraw/zinc/35/43/54/1050354354.db2.gz MLQXAYRJDQSOQX-KRWDZBQOSA-N 1 0 338.451 4.447 20 5 EIBDRO CCC1([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCC(F)(F)CC1 ZINC001173224110 1050354397 /nfs/dbraw/zinc/35/43/97/1050354397.db2.gz MAHBSBXLMHHBDI-ZDUSSCGKSA-N 1 0 326.387 4.474 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1cncc(Cl)c1)C1CC1 ZINC001173223465 1050354913 /nfs/dbraw/zinc/35/49/13/1050354913.db2.gz IREIIORAQUNKRJ-XIKOKIGWSA-N 1 0 345.830 4.315 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cccc(Cl)c1F ZINC001173223230 1050355093 /nfs/dbraw/zinc/35/50/93/1050355093.db2.gz HGZBUHJQXCCYBD-LBPRGKRZSA-N 1 0 336.794 4.151 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC001173227232 1050356710 /nfs/dbraw/zinc/35/67/10/1050356710.db2.gz OTLVNJPEHGXREI-BEFAXECRSA-N 1 0 325.412 4.148 20 5 EIBDRO CC[N@H+](Cc1cccc(F)c1F)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233671 1050362808 /nfs/dbraw/zinc/36/28/08/1050362808.db2.gz XXEKTEDKCUDVMZ-CYBMUJFWSA-N 1 0 334.366 4.326 20 5 EIBDRO C[NH2+]Cc1cn([C@H](C)Cc2ccc([N+](=O)[O-])cc2)c2ccc(C)cc12 ZINC001173234231 1050363466 /nfs/dbraw/zinc/36/34/66/1050363466.db2.gz QFPDSTONATZEGZ-OAHLLOKOSA-N 1 0 337.423 4.381 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCSCc1ccc(F)cc1 ZINC001173214602 1050372427 /nfs/dbraw/zinc/37/24/27/1050372427.db2.gz PURKHJDCIWFYHX-CQSZACIVSA-N 1 0 348.443 4.188 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCSCc1ccc(F)cc1 ZINC001173214601 1050372861 /nfs/dbraw/zinc/37/28/61/1050372861.db2.gz PURKHJDCIWFYHX-AWEZNQCLSA-N 1 0 348.443 4.188 20 5 EIBDRO CC(C)(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCCO1 ZINC000618572081 1050412635 /nfs/dbraw/zinc/41/26/35/1050412635.db2.gz TZMNYQOSPCYSPJ-ZWKOTPCHSA-N 1 0 332.444 4.157 20 5 EIBDRO COc1ccc(C)cc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618571394 1050418422 /nfs/dbraw/zinc/41/84/22/1050418422.db2.gz ISEHPINKFOFNOW-SFHVURJKSA-N 1 0 326.396 4.079 20 5 EIBDRO C[NH+](C)C[C@@H](CNc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001186895930 1050437768 /nfs/dbraw/zinc/43/77/68/1050437768.db2.gz JIDMEVRQDAUOLQ-CQSZACIVSA-N 1 0 333.819 4.006 20 5 EIBDRO CC(C)[C@H]1CN(c2sccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001187044797 1050465309 /nfs/dbraw/zinc/46/53/09/1050465309.db2.gz PHPVATIABVDNEQ-QGZVFWFLSA-N 1 0 345.468 4.003 20 5 EIBDRO CCC1([NH+]2CCCCC2)CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001187463454 1050545140 /nfs/dbraw/zinc/54/51/40/1050545140.db2.gz ZZWBXLSDSOGRJP-UHFFFAOYSA-N 1 0 331.460 4.138 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H](O)C(C)C ZINC001178959475 1050596558 /nfs/dbraw/zinc/59/65/58/1050596558.db2.gz XMIUVNVEOHSPKV-MAUKXSAKSA-N 1 0 348.468 4.208 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H](O)C(C)C ZINC001178959474 1050597456 /nfs/dbraw/zinc/59/74/56/1050597456.db2.gz XMIUVNVEOHSPKV-CRAIPNDOSA-N 1 0 348.468 4.208 20 5 EIBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1ccsc1 ZINC001173823533 1050598392 /nfs/dbraw/zinc/59/83/92/1050598392.db2.gz SGXJSQXJORAFRU-UHFFFAOYSA-N 1 0 335.432 4.306 20 5 EIBDRO CC[C@@H](Cc1cn(C)c2ccccc12)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001179315037 1050673360 /nfs/dbraw/zinc/67/33/60/1050673360.db2.gz IOHFPZXUPQMXRR-KRWDZBQOSA-N 1 0 337.423 4.197 20 5 EIBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCS1 ZINC001179717456 1050763564 /nfs/dbraw/zinc/76/35/64/1050763564.db2.gz SXOORVSNSCRQLG-GXTWGEPZSA-N 1 0 332.425 4.229 20 5 EIBDRO CC(C)c1ccc(C[NH2+]CC(C)(C)C2=CCOCC2)cc1[N+](=O)[O-] ZINC001179799687 1050781648 /nfs/dbraw/zinc/78/16/48/1050781648.db2.gz JTZQFNTZQRGROY-UHFFFAOYSA-N 1 0 332.444 4.181 20 5 EIBDRO Cc1nn(C)cc1Nc1cc2[nH+]c3cc(N)c(C)cc3cc2cc1C ZINC001174338988 1050897733 /nfs/dbraw/zinc/89/77/33/1050897733.db2.gz SWOOVZBIAZUPEF-UHFFFAOYSA-N 1 0 331.423 4.373 20 5 EIBDRO CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC001180348768 1050961688 /nfs/dbraw/zinc/96/16/88/1050961688.db2.gz BJNVVATUXXVGAO-WBVHZDCISA-N 1 0 340.851 4.322 20 5 EIBDRO CCO[C@@H](C)n1cc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cn1 ZINC001174702643 1051139193 /nfs/dbraw/zinc/13/91/93/1051139193.db2.gz DHHSRZRDSQZDNA-ZDUSSCGKSA-N 1 0 347.422 4.465 20 5 EIBDRO Cc1oc(C(C)(C)C)cc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001181154146 1051169245 /nfs/dbraw/zinc/16/92/45/1051169245.db2.gz LJHCRUFDUWTGPG-UHFFFAOYSA-N 1 0 330.428 4.468 20 5 EIBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)CC1CCCCC1 ZINC001181374495 1051213304 /nfs/dbraw/zinc/21/33/04/1051213304.db2.gz YZHHPBFOMJNLIM-LSDHHAIUSA-N 1 0 347.459 4.260 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC001181446412 1051227916 /nfs/dbraw/zinc/22/79/16/1051227916.db2.gz YKUXFFRMIOOZEO-AWNIVKPZSA-N 1 0 332.350 4.408 20 5 EIBDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000775407948 1051262399 /nfs/dbraw/zinc/26/23/99/1051262399.db2.gz RHCACWKFCFDBHI-WOJBJXKFSA-N 1 0 342.439 4.314 20 5 EIBDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000775407947 1051262809 /nfs/dbraw/zinc/26/28/09/1051262809.db2.gz RHCACWKFCFDBHI-VQTJNVASSA-N 1 0 342.439 4.314 20 5 EIBDRO COc1cc(C[N@H+](CC2CC2)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC001190809832 1051272928 /nfs/dbraw/zinc/27/29/28/1051272928.db2.gz LVHUMOPNHHKSIV-UHFFFAOYSA-N 1 0 336.407 4.287 20 5 EIBDRO CC(C)[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000775434644 1051346690 /nfs/dbraw/zinc/34/66/90/1051346690.db2.gz OZWFTIUARCGGIZ-ZWKOTPCHSA-N 1 0 348.830 4.269 20 5 EIBDRO CCC1(CC)CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001191541023 1051476911 /nfs/dbraw/zinc/47/69/11/1051476911.db2.gz LQZGDTVMAJAUBX-UHFFFAOYSA-N 1 0 341.249 4.369 20 5 EIBDRO CC(C)(C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])OCC1CC1 ZINC001182398412 1051529618 /nfs/dbraw/zinc/52/96/18/1051529618.db2.gz SYBPTXIGZSQSQM-SJLPKXTDSA-N 1 0 346.471 4.101 20 5 EIBDRO C[N@@H+]1CCC[C@H](NC(=O)CCc2c3ccccc3cc3ccccc32)C1 ZINC001182412981 1051547197 /nfs/dbraw/zinc/54/71/97/1051547197.db2.gz KINOPSYNRIABQL-IBGZPJMESA-N 1 0 346.474 4.136 20 5 EIBDRO CC(C)[N@@H+]1CC[C@H]1C(=O)N(C)Cc1c2ccccc2cc2ccccc21 ZINC001182848426 1051717351 /nfs/dbraw/zinc/71/73/51/1051717351.db2.gz HZUAWDSMWWUQSY-QFIPXVFZSA-N 1 0 346.474 4.434 20 5 EIBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC001175736576 1051750914 /nfs/dbraw/zinc/75/09/14/1051750914.db2.gz ATWFSSCJHZMAMO-UHFFFAOYSA-N 1 0 329.375 4.116 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(Cc2ccc(C)cc2)C1 ZINC001182929637 1051755677 /nfs/dbraw/zinc/75/56/77/1051755677.db2.gz DUWHPUAISTXHCB-LICLKQGHSA-N 1 0 336.435 4.481 20 5 EIBDRO CC(C)[C@H]1CCCCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001192653107 1051781528 /nfs/dbraw/zinc/78/15/28/1051781528.db2.gz LNNWVEHKLNKCRH-MRXNPFEDSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@](O)(c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC001192627423 1051782427 /nfs/dbraw/zinc/78/24/27/1051782427.db2.gz WLKHGMDYZSDWMH-OXQOHEQNSA-N 1 0 342.439 4.098 20 5 EIBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000774576700 1051798841 /nfs/dbraw/zinc/79/88/41/1051798841.db2.gz MZOFLPNHVPQJHB-GOSISDBHSA-N 1 0 348.830 4.192 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC[C@@H]1CC=CCC1 ZINC001183323946 1051825223 /nfs/dbraw/zinc/82/52/23/1051825223.db2.gz HNQFXGXXJJRFCI-GFCCVEGCSA-N 1 0 328.334 4.450 20 5 EIBDRO O=[N+]([O-])/C=C/c1ccc(Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC001175902583 1051838136 /nfs/dbraw/zinc/83/81/36/1051838136.db2.gz PZKXSHWOGXQDKE-FOWTUZBSSA-N 1 0 337.423 4.316 20 5 EIBDRO CC(C)OCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000184168120 1051857963 /nfs/dbraw/zinc/85/79/63/1051857963.db2.gz QLTLZRZPZVFFLV-UHFFFAOYSA-N 1 0 338.791 4.023 20 5 EIBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2 ZINC001193165315 1051882332 /nfs/dbraw/zinc/88/23/32/1051882332.db2.gz ODZTVSYHXCDZIC-OAHLLOKOSA-N 1 0 340.423 4.203 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@H]2CC2(O)CCCCC2)c1 ZINC001176061980 1051900788 /nfs/dbraw/zinc/90/07/88/1051900788.db2.gz MGBHSMCGXVFHOY-SFHVURJKSA-N 1 0 332.444 4.035 20 5 EIBDRO C[C@H](C[NH2+]CCc1ccc(F)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC001184046479 1051943408 /nfs/dbraw/zinc/94/34/08/1051943408.db2.gz WBHBIZORWKWGRX-GFCCVEGCSA-N 1 0 336.794 4.323 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC001184264506 1051981417 /nfs/dbraw/zinc/98/14/17/1051981417.db2.gz DPKHMSBLYXLXBW-MBSJSRAVSA-N 1 0 343.452 4.019 20 5 EIBDRO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001176356846 1052035443 /nfs/dbraw/zinc/03/54/43/1052035443.db2.gz VZAVBHJNEUGKGI-OXQOHEQNSA-N 1 0 340.423 4.242 20 5 EIBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001194084105 1052073449 /nfs/dbraw/zinc/07/34/49/1052073449.db2.gz ZIVTUVZSYPCPSQ-JTQLQIEISA-N 1 0 344.358 4.361 20 5 EIBDRO Cc1cc(NCC(C)(C)[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC001184750360 1052098540 /nfs/dbraw/zinc/09/85/40/1052098540.db2.gz KEFLCNCPSXBBMI-UHFFFAOYSA-N 1 0 339.439 4.152 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001194598738 1052174522 /nfs/dbraw/zinc/17/45/22/1052174522.db2.gz DXFKXCZSWVHMBJ-LBPRGKRZSA-N 1 0 334.778 4.377 20 5 EIBDRO CC(C)[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000444750834 1052770856 /nfs/dbraw/zinc/77/08/56/1052770856.db2.gz KOFSERQJUFAFJW-HNNXBMFYSA-N 1 0 329.400 4.118 20 5 EIBDRO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000083127919 1052830210 /nfs/dbraw/zinc/83/02/10/1052830210.db2.gz FYSZJNWJHALHEQ-UHFFFAOYSA-N 1 0 325.368 4.148 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(CN3CCC[C@H]3c3ccsc3)nc2c1 ZINC000083168625 1052846983 /nfs/dbraw/zinc/84/69/83/1052846983.db2.gz OBQLJXLHUUZCQU-AWEZNQCLSA-N 1 0 329.381 4.135 20 5 EIBDRO CCC[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000850529176 1053293554 /nfs/dbraw/zinc/29/35/54/1053293554.db2.gz NVMXSJHFCBWXEH-GBESFXJTSA-N 1 0 326.396 4.204 20 5 EIBDRO COc1cc(C[N@H+](C)[C@H]2CCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])cc1F ZINC001195279897 1053359470 /nfs/dbraw/zinc/35/94/70/1053359470.db2.gz PNCQHIXZSQNDTQ-ZFWWWQNUSA-N 1 0 338.423 4.389 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000794832458 1053444035 /nfs/dbraw/zinc/44/40/35/1053444035.db2.gz SIXWFSZSRBAVGQ-ZOCIIQOWSA-N 1 0 328.412 4.148 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000120506335 1053477907 /nfs/dbraw/zinc/47/79/07/1053477907.db2.gz MEGKYLSTWWMZJU-GFCCVEGCSA-N 1 0 336.338 4.355 20 5 EIBDRO CC(C)(C)OC1CCC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000865698881 1053574500 /nfs/dbraw/zinc/57/45/00/1053574500.db2.gz RYGVTUMGEKKITJ-SOFGYWHQSA-N 1 0 332.444 4.324 20 5 EIBDRO Cc1cccc([C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C)c1 ZINC000776605314 1053591985 /nfs/dbraw/zinc/59/19/85/1053591985.db2.gz KHGCDITVASXAEP-RBUKOAKNSA-N 1 0 342.439 4.314 20 5 EIBDRO Cc1ccccc1[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000776606542 1053595232 /nfs/dbraw/zinc/59/52/32/1053595232.db2.gz XYCPYACVQTWVLB-RTBURBONSA-N 1 0 342.439 4.314 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000852596380 1053595248 /nfs/dbraw/zinc/59/52/48/1053595248.db2.gz LHLYVIYHZCBXEM-GUYCJALGSA-N 1 0 338.835 4.029 20 5 EIBDRO CCC(CC)[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000776606123 1053597991 /nfs/dbraw/zinc/59/79/91/1053597991.db2.gz RTJPPLXXYMQNEO-FUHWJXTLSA-N 1 0 348.468 4.457 20 5 EIBDRO COCCCCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102425631 1053649827 /nfs/dbraw/zinc/64/98/27/1053649827.db2.gz MUXDACWUAZXYFS-UHFFFAOYSA-N 1 0 334.441 4.230 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000866311846 1053687407 /nfs/dbraw/zinc/68/74/07/1053687407.db2.gz KIEMAKKNTONKSI-BONVTDFDSA-N 1 0 335.379 4.011 20 5 EIBDRO CC[C@H]([NH2+][C@@H](C)C[C@H](O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000121029614 1053700684 /nfs/dbraw/zinc/70/06/84/1053700684.db2.gz IWHISRPEYSSYGZ-AGRHKRQWSA-N 1 0 346.402 4.287 20 5 EIBDRO CC[C@](C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001196818784 1053779519 /nfs/dbraw/zinc/77/95/19/1053779519.db2.gz NWKQRJVQMUWHMI-SFHVURJKSA-N 1 0 332.375 4.028 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC001196899211 1053804982 /nfs/dbraw/zinc/80/49/82/1053804982.db2.gz OQJPADYWWXVEON-QZTJIDSGSA-N 1 0 326.396 4.029 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1cc2cnccc2o1 ZINC000866622379 1053809635 /nfs/dbraw/zinc/80/96/35/1053809635.db2.gz MFCLYGBXCAHLNS-NWDGAFQWSA-N 1 0 343.358 4.157 20 5 EIBDRO Cc1cc2cc(C[NH2+][C@H](C)CCc3ccccc3[N+](=O)[O-])ccc2[nH]1 ZINC000552298290 1053847372 /nfs/dbraw/zinc/84/73/72/1053847372.db2.gz YYVJXJKTPCTKHT-CQSZACIVSA-N 1 0 337.423 4.495 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000121794849 1053847684 /nfs/dbraw/zinc/84/76/84/1053847684.db2.gz FWOXDNGBUUWYTL-WMZOPIPTSA-N 1 0 344.411 4.056 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000121951359 1053862697 /nfs/dbraw/zinc/86/26/97/1053862697.db2.gz OHBRNAVZDXIMIO-WMZOPIPTSA-N 1 0 344.411 4.056 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000121951156 1053863638 /nfs/dbraw/zinc/86/36/38/1053863638.db2.gz OHBRNAVZDXIMIO-AEFFLSMTSA-N 1 0 344.411 4.056 20 5 EIBDRO CCC1([NH+]2CCCCC2)CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC001197360102 1053882926 /nfs/dbraw/zinc/88/29/26/1053882926.db2.gz UOCUSWKPZIYMQH-UHFFFAOYSA-N 1 0 345.487 4.134 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@@H]1c1ccccc1 ZINC001197661367 1053961015 /nfs/dbraw/zinc/96/10/15/1053961015.db2.gz UTKLFGQQKTXJRP-IFXJQAMLSA-N 1 0 326.396 4.187 20 5 EIBDRO O=[N+]([O-])c1cccc(OCC[N@H+](Cc2cccc(F)c2)C2CCC2)c1 ZINC001197958747 1054037658 /nfs/dbraw/zinc/03/76/58/1054037658.db2.gz CYZQKXAJVWQKGR-UHFFFAOYSA-N 1 0 344.386 4.167 20 5 EIBDRO COC1(C[NH2+]Cc2c3ccccc3cc3ccccc32)CCOCC1 ZINC000123078327 1054087641 /nfs/dbraw/zinc/08/76/41/1054087641.db2.gz AGZFGUXQWLKVSE-UHFFFAOYSA-N 1 0 335.447 4.278 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000856805299 1054113335 /nfs/dbraw/zinc/11/33/35/1054113335.db2.gz MLOJULZCVUCOJA-SVTZGKHISA-N 1 0 329.227 4.172 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857066103 1054168744 /nfs/dbraw/zinc/16/87/44/1054168744.db2.gz XJBQFOIUZCTTDH-DGCLKSJQSA-N 1 0 331.243 4.089 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000871934944 1054324431 /nfs/dbraw/zinc/32/44/31/1054324431.db2.gz ONPVHWCTCVTZAL-GHMZBOCLSA-N 1 0 339.317 4.420 20 5 EIBDRO COCc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)cc1 ZINC000872021087 1054333580 /nfs/dbraw/zinc/33/35/80/1054333580.db2.gz ODAYZDNVPANCSC-ZDUSSCGKSA-N 1 0 346.452 4.314 20 5 EIBDRO C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872023313 1054339033 /nfs/dbraw/zinc/33/90/33/1054339033.db2.gz FQSMOONLTQURGH-AWEZNQCLSA-N 1 0 343.402 4.054 20 5 EIBDRO CC(C)c1nc(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cs1 ZINC000872031676 1054349799 /nfs/dbraw/zinc/34/97/99/1054349799.db2.gz SPHIGFZQRHMFJD-LLVKDONJSA-N 1 0 337.420 4.207 20 5 EIBDRO C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043813 1054354756 /nfs/dbraw/zinc/35/47/56/1054354756.db2.gz MIMFJXQXHRLGCA-RFUYNDQBSA-N 1 0 344.386 4.162 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000872046425 1054360285 /nfs/dbraw/zinc/36/02/85/1054360285.db2.gz HHURHSCLDFZXMX-HEHGZKQESA-N 1 0 338.473 4.171 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000872048463 1054362619 /nfs/dbraw/zinc/36/26/19/1054362619.db2.gz JOSCEVIDNULWGW-CHWSQXEVSA-N 1 0 336.457 4.069 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCO[C@@H]1CCCC[C@H]1C ZINC001199274986 1054371504 /nfs/dbraw/zinc/37/15/04/1054371504.db2.gz AUGJWMRIKXPPLT-MWPJJREVSA-N 1 0 332.444 4.183 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)c1nccs1 ZINC000872062751 1054371878 /nfs/dbraw/zinc/37/18/78/1054371878.db2.gz OXJKNUCFVHLKAZ-MNOVXSKESA-N 1 0 337.470 4.228 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000872084752 1054383462 /nfs/dbraw/zinc/38/34/62/1054383462.db2.gz HZVKQHFQUQLLKX-APPDUMDISA-N 1 0 344.436 4.360 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)c1ccccn1 ZINC000872085646 1054383501 /nfs/dbraw/zinc/38/35/01/1054383501.db2.gz QDXJMNWAHHLENG-OLZOCXBDSA-N 1 0 331.441 4.166 20 5 EIBDRO CCOCc1ccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000873013012 1054477522 /nfs/dbraw/zinc/47/75/22/1054477522.db2.gz QSDUFARHYXHBPE-UHFFFAOYSA-N 1 0 328.412 4.038 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCc3c2cccc3Br)c1 ZINC000105491900 1054528832 /nfs/dbraw/zinc/52/88/32/1054528832.db2.gz YYLKOYASIHADGH-MRXNPFEDSA-N 1 0 347.212 4.134 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000173387089 1054551773 /nfs/dbraw/zinc/55/17/73/1054551773.db2.gz OSMDQWMSLFFIID-LBPRGKRZSA-N 1 0 332.425 4.176 20 5 EIBDRO CC(C)(C)C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776155207 1054741456 /nfs/dbraw/zinc/74/14/56/1054741456.db2.gz DMIYOFPTJNQSCE-MOPGFXCFSA-N 1 0 342.439 4.395 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CC2CCC2)c2ccccc2)cc1 ZINC000776155950 1054755562 /nfs/dbraw/zinc/75/55/62/1054755562.db2.gz JMASVLNVFOEFBZ-UXHICEINSA-N 1 0 340.423 4.149 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1cccc([N+](=O)[O-])c1 ZINC001201769230 1054901499 /nfs/dbraw/zinc/90/14/99/1054901499.db2.gz CMSUJUXPLZWJLK-ACJLOTCBSA-N 1 0 326.396 4.159 20 5 EIBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2c(Cl)ccc3cccnc32)c1 ZINC001201822750 1054924798 /nfs/dbraw/zinc/92/47/98/1054924798.db2.gz PQILOBFALNXEOZ-UHFFFAOYSA-N 1 0 341.798 4.129 20 5 EIBDRO CC(C)(C)[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000876991126 1054992615 /nfs/dbraw/zinc/99/26/15/1054992615.db2.gz IBRHMVQHTVSJAH-DQPZFDDXSA-N 1 0 346.406 4.011 20 5 EIBDRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000877086974 1055016400 /nfs/dbraw/zinc/01/64/00/1055016400.db2.gz DANYLLJQEUERDS-RKFFSXRUSA-N 1 0 348.767 4.061 20 5 EIBDRO CO[C@@H]([C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC001202408867 1055159721 /nfs/dbraw/zinc/15/97/21/1055159721.db2.gz SZJJYMQALXMMHN-SGTLLEGYSA-N 1 0 346.452 4.226 20 5 EIBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878199475 1055204463 /nfs/dbraw/zinc/20/44/63/1055204463.db2.gz AZFIDPDXQGZACE-DZGCQCFKSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000765817378 1055523757 /nfs/dbraw/zinc/52/37/57/1055523757.db2.gz NXQODZBYWBDEIZ-FZKQIMNGSA-N 1 0 348.830 4.115 20 5 EIBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000302021720 1055546357 /nfs/dbraw/zinc/54/63/57/1055546357.db2.gz OFLOMVQISDSRPJ-CQSZACIVSA-N 1 0 337.489 4.137 20 5 EIBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000301561589 1055734792 /nfs/dbraw/zinc/73/47/92/1055734792.db2.gz UXKWDNSFYFRHCI-YJBOKZPZSA-N 1 0 325.412 4.060 20 5 EIBDRO CC[C@@H](Nc1cccc(OCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000326905131 1055784020 /nfs/dbraw/zinc/78/40/20/1055784020.db2.gz MLGJDLBEORHCSG-LJQANCHMSA-N 1 0 343.427 4.098 20 5 EIBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273409116 1055802519 /nfs/dbraw/zinc/80/25/19/1055802519.db2.gz HZWNMMWWHFWJDQ-HKUYNNGSSA-N 1 0 344.386 4.086 20 5 EIBDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000542697522 1055838600 /nfs/dbraw/zinc/83/86/00/1055838600.db2.gz NPFPATYWOXFOLG-LJQANCHMSA-N 1 0 326.396 4.249 20 5 EIBDRO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000542701153 1055842514 /nfs/dbraw/zinc/84/25/14/1055842514.db2.gz ZNRGLAAJIHZRFG-SFHVURJKSA-N 1 0 326.396 4.249 20 5 EIBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000765848135 1055873668 /nfs/dbraw/zinc/87/36/68/1055873668.db2.gz FTMSOXPXUDZNIH-QWHCGFSZSA-N 1 0 340.832 4.084 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCSC(C)C ZINC000554370211 1056064848 /nfs/dbraw/zinc/06/48/48/1056064848.db2.gz LDIFRRNFWVVOFH-CYBMUJFWSA-N 1 0 328.503 4.197 20 5 EIBDRO CO[C@@H](C)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000338709422 1056442605 /nfs/dbraw/zinc/44/26/05/1056442605.db2.gz MTSBRLCWESHGLQ-NSHDSACASA-N 1 0 338.791 4.023 20 5 EIBDRO C[C@H]([NH2+]CCc1ccccc1Br)c1ccccc1[N+](=O)[O-] ZINC000743474285 1059022391 /nfs/dbraw/zinc/02/23/91/1059022391.db2.gz SBKFLOOLGMXKLO-LBPRGKRZSA-N 1 0 349.228 4.251 20 5 EIBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000746046624 1059981696 /nfs/dbraw/zinc/98/16/96/1059981696.db2.gz CFYUQVMELQFCKJ-KUHUBIRLSA-N 1 0 342.439 4.277 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccc(Oc3ccccc3)cc2)C1 ZINC001168965669 1060557760 /nfs/dbraw/zinc/55/77/60/1060557760.db2.gz BWZMMEXUCGGOPS-MSOLQXFVSA-N 1 0 340.423 4.056 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)C1 ZINC001168991920 1060569238 /nfs/dbraw/zinc/56/92/38/1060569238.db2.gz IFAHAWSNOIQRKJ-WFASDCNBSA-N 1 0 342.361 4.120 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(OCC3CCCCC3)c2)C1 ZINC001168988387 1060585765 /nfs/dbraw/zinc/58/57/65/1060585765.db2.gz RUFSFCKOEOHNKG-OALUTQOASA-N 1 0 346.471 4.181 20 5 EIBDRO C[N@H+](Cc1ccc(Oc2ccccc2)cc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037070 1060593059 /nfs/dbraw/zinc/59/30/59/1060593059.db2.gz IOWGFBKHAGBIPW-ZWKOTPCHSA-N 1 0 340.423 4.356 20 5 EIBDRO CC1(C)C[C@H](Nc2cc3cccnc3c([N+](=O)[O-])c2)C[C@](C)(C[NH3+])C1 ZINC001169153794 1060671083 /nfs/dbraw/zinc/67/10/83/1060671083.db2.gz UJLAMMZQFROZKY-KXBFYZLASA-N 1 0 342.443 4.099 20 5 EIBDRO [NH3+]Cc1cccc2c1cnn2-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001169193104 1060680643 /nfs/dbraw/zinc/68/06/43/1060680643.db2.gz TXSGZKDLENUYPY-UHFFFAOYSA-N 1 0 344.374 4.059 20 5 EIBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001169683754 1060896335 /nfs/dbraw/zinc/89/63/35/1060896335.db2.gz OITZPYXMOYUJHQ-KRWDZBQOSA-N 1 0 348.406 4.383 20 5 EIBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001169697572 1060904485 /nfs/dbraw/zinc/90/44/85/1060904485.db2.gz NVLJDDUZEMIMCV-INIZCTEOSA-N 1 0 336.395 4.316 20 5 EIBDRO COc1cc(C)c([N+](=O)[O-])cc1N1CCC[C@@H]([NH3+])c2cc(C)ccc21 ZINC001169698351 1060905026 /nfs/dbraw/zinc/90/50/26/1060905026.db2.gz PTIBAMGDBJJVGF-OAHLLOKOSA-N 1 0 341.411 4.152 20 5 EIBDRO C[C@H]([NH2+]CCSCc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000532187259 1032077138 /nfs/dbraw/zinc/07/71/38/1032077138.db2.gz ZMNWRUNTSFJGKQ-ZDUSSCGKSA-N 1 0 334.416 4.318 20 5 EIBDRO COc1ccccc1C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000532216762 1032099175 /nfs/dbraw/zinc/09/91/75/1032099175.db2.gz IHIGQNRZSOZZHY-IBGZPJMESA-N 1 0 342.439 4.003 20 5 EIBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCCC[C@H]1/C=C/c1ccccc1 ZINC001168144166 1032208620 /nfs/dbraw/zinc/20/86/20/1032208620.db2.gz BYJPRQZWGTYQCZ-HYSAVQALSA-N 1 0 337.423 4.448 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2cscn2)s1 ZINC000130241653 1032530557 /nfs/dbraw/zinc/53/05/57/1032530557.db2.gz AHDXETRZBSVJHT-UHFFFAOYSA-N 1 0 345.449 4.112 20 5 EIBDRO CC(C)CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000533243493 1032558877 /nfs/dbraw/zinc/55/88/77/1032558877.db2.gz PCWLAPBPNVPGSV-UHFFFAOYSA-N 1 0 343.427 4.303 20 5 EIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000557554274 1018736610 /nfs/dbraw/zinc/73/66/10/1018736610.db2.gz RXRDMCKJWAPNIN-LSDHHAIUSA-N 1 0 347.459 4.036 20 5 EIBDRO CSC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000430192473 1019109630 /nfs/dbraw/zinc/10/96/30/1019109630.db2.gz ATQIIDKRHQZIRB-AWEZNQCLSA-N 1 0 346.452 4.430 20 5 EIBDRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000432798704 1032821137 /nfs/dbraw/zinc/82/11/37/1032821137.db2.gz RHRXVXMWEUYFIX-ZDUSSCGKSA-N 1 0 343.452 4.483 20 5 EIBDRO COc1ccc2cc(C[N@H+](C)Cc3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000007805616 1032845271 /nfs/dbraw/zinc/84/52/71/1032845271.db2.gz TZSLBBNLWKNXNR-UHFFFAOYSA-N 1 0 336.391 4.389 20 5 EIBDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCO2 ZINC000090217632 1032867691 /nfs/dbraw/zinc/86/76/91/1032867691.db2.gz ZFJAXQWYYDKBJV-SUMWQHHRSA-N 1 0 342.395 4.086 20 5 EIBDRO CCC(CC)(CC)[NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000471224050 1020006666 /nfs/dbraw/zinc/00/66/66/1020006666.db2.gz MGWLCAVEARJUBF-UHFFFAOYSA-N 1 0 346.374 4.263 20 5 EIBDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000336877603 1020145910 /nfs/dbraw/zinc/14/59/10/1020145910.db2.gz QYRUDTTYTGVWCU-YJYMSZOUSA-N 1 0 326.396 4.332 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000247023392 1020358431 /nfs/dbraw/zinc/35/84/31/1020358431.db2.gz NDHRDXPZZLIWPY-CWFSZBLJSA-N 1 0 340.423 4.474 20 5 EIBDRO C[C@H]([NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000247211047 1020809853 /nfs/dbraw/zinc/80/98/53/1020809853.db2.gz XTZLIKFZLFAPLL-QSFXBCCZSA-N 1 0 340.423 4.413 20 5 EIBDRO COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000610001849 1021082466 /nfs/dbraw/zinc/08/24/66/1021082466.db2.gz FSVAOAYWJIJSCN-WBVHZDCISA-N 1 0 340.423 4.290 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001167332709 1021199671 /nfs/dbraw/zinc/19/96/71/1021199671.db2.gz QKGGYLQBXQJJQR-QGZVFWFLSA-N 1 0 340.423 4.058 20 5 EIBDRO C[C@H](CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000379624339 1021846402 /nfs/dbraw/zinc/84/64/02/1021846402.db2.gz JNFDVRMFDKRYKF-SJORKVTESA-N 1 0 341.455 4.156 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCCC23CCCC3)c2c(c1)COCO2 ZINC000463038898 1022004021 /nfs/dbraw/zinc/00/40/21/1022004021.db2.gz ZUDGIKOWODJYIP-QGZVFWFLSA-N 1 0 346.427 4.054 20 5 EIBDRO CC(C)(C)OCc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000101932638 1022042577 /nfs/dbraw/zinc/04/25/77/1022042577.db2.gz FRHDLAGMHOJKDS-UHFFFAOYSA-N 1 0 328.412 4.200 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCCOc2c(F)cccc21 ZINC000584420416 1022069162 /nfs/dbraw/zinc/06/91/62/1022069162.db2.gz HYYDWMBRRJOWJV-DLBZAZTESA-N 1 0 342.370 4.225 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)Oc1ccccc1F ZINC000468629641 1022079080 /nfs/dbraw/zinc/07/90/80/1022079080.db2.gz JBASRVJQJNEHQT-YVGNARHYSA-N 1 0 344.386 4.194 20 5 EIBDRO C[C@@H]([NH2+]Cc1cc(Br)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000071307908 1022080594 /nfs/dbraw/zinc/08/05/94/1022080594.db2.gz KHSQXJPRFRUXJU-SECBINFHSA-N 1 0 341.230 4.270 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(c2ccccn2)CCC1 ZINC000582597585 1022111076 /nfs/dbraw/zinc/11/10/76/1022111076.db2.gz UVPMWRHUXGIBLB-INIZCTEOSA-N 1 0 339.439 4.022 20 5 EIBDRO CC(C)CC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001167906747 1033029975 /nfs/dbraw/zinc/02/99/75/1033029975.db2.gz ZRIOQRKVSHQAAL-HNNXBMFYSA-N 1 0 335.404 4.294 20 5 EIBDRO Cc1ccc(C(=O)CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000480871863 1022178416 /nfs/dbraw/zinc/17/84/16/1022178416.db2.gz VSADSPNZTHAIAW-OAHLLOKOSA-N 1 0 326.396 4.135 20 5 EIBDRO C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CS1 ZINC000414236073 1022247262 /nfs/dbraw/zinc/24/72/62/1022247262.db2.gz VHSJQFYWDLAKFT-SKDZVZGDSA-N 1 0 328.437 4.168 20 5 EIBDRO CC[C@@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000414275796 1022375956 /nfs/dbraw/zinc/37/59/56/1022375956.db2.gz UNKYPJKSHHBXDP-QWHCGFSZSA-N 1 0 332.366 4.484 20 5 EIBDRO C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC(F)(F)F ZINC000414287786 1022402683 /nfs/dbraw/zinc/40/26/83/1022402683.db2.gz UPOKSDKWHQCOGR-SMDDNHRTSA-N 1 0 330.350 4.094 20 5 EIBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(-c2cccnc2)c1 ZINC000549407635 1022600306 /nfs/dbraw/zinc/60/03/06/1022600306.db2.gz HJTAVBVMTOEDBO-UHFFFAOYSA-N 1 0 347.418 4.331 20 5 EIBDRO CC[C@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104661199 1022673330 /nfs/dbraw/zinc/67/33/30/1022673330.db2.gz YCHBCWHLAZOUGT-HNNXBMFYSA-N 1 0 329.400 4.057 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](C3CC3)C3CCCC3)o2)c1 ZINC000104667597 1022674071 /nfs/dbraw/zinc/67/40/71/1022674071.db2.gz TVGVRXNXGLUOEN-UHFFFAOYSA-N 1 0 341.411 4.199 20 5 EIBDRO C[C@H]1CCCC[C@H]1[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104666746 1022674420 /nfs/dbraw/zinc/67/44/20/1022674420.db2.gz VIGYAQRAMWPCCT-WMLDXEAASA-N 1 0 343.427 4.303 20 5 EIBDRO CCC[C@H](CCO)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180677703 1022783731 /nfs/dbraw/zinc/78/37/31/1022783731.db2.gz ZLAVGMJSNSBYMW-OXQOHEQNSA-N 1 0 342.439 4.073 20 5 EIBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(F)c(F)c1 ZINC000581003864 1022793734 /nfs/dbraw/zinc/79/37/34/1022793734.db2.gz KLCFVBISFDEAEA-NSHDSACASA-N 1 0 345.349 4.248 20 5 EIBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H](OCC)C1(C)C ZINC001167443292 1022808518 /nfs/dbraw/zinc/80/85/18/1022808518.db2.gz RMDQIBORKPLOPS-ROUUACIJSA-N 1 0 334.460 4.053 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H]2CCCS2)c2ccccc2)c1 ZINC000180753275 1022813240 /nfs/dbraw/zinc/81/32/40/1022813240.db2.gz LQPDSNLNCRADJR-ROUUACIJSA-N 1 0 328.437 4.169 20 5 EIBDRO CCC[C@@H]([NH2+][C@H](C)c1ccncc1OC)c1cccc([N+](=O)[O-])c1 ZINC000188795999 1022848705 /nfs/dbraw/zinc/84/87/05/1022848705.db2.gz IBFAHAHBCKBIEE-CXAGYDPISA-N 1 0 329.400 4.190 20 5 EIBDRO COCCC1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180965374 1022868868 /nfs/dbraw/zinc/86/88/68/1022868868.db2.gz XVZXGRFAACTISB-IBGZPJMESA-N 1 0 340.423 4.091 20 5 EIBDRO CC[C@@H]([NH2+][C@H]1CCOc2c(C)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000189466003 1023057272 /nfs/dbraw/zinc/05/72/72/1023057272.db2.gz FBEHHNYPDFQUJN-MSOLQXFVSA-N 1 0 326.396 4.468 20 5 EIBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@@H](C)O1 ZINC000414509981 1023246258 /nfs/dbraw/zinc/24/62/58/1023246258.db2.gz CZDHFERHSFTKAL-NFAWXSAZSA-N 1 0 346.452 4.226 20 5 EIBDRO COc1c(C)cc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)cc1C ZINC000110287749 1023250500 /nfs/dbraw/zinc/25/05/00/1023250500.db2.gz XQMNTYQGLXUUPY-UHFFFAOYSA-N 1 0 328.412 4.161 20 5 EIBDRO COc1ccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417299375 1023252078 /nfs/dbraw/zinc/25/20/78/1023252078.db2.gz MSDCHDUTJIFHLS-IBGZPJMESA-N 1 0 326.396 4.161 20 5 EIBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000417310996 1023257526 /nfs/dbraw/zinc/25/75/26/1023257526.db2.gz LHDZXSQXRMTSKJ-LZQZEXGQSA-N 1 0 332.444 4.156 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCOC3(CCC3)C1)CCCC2 ZINC000417325319 1023266974 /nfs/dbraw/zinc/26/69/74/1023266974.db2.gz BVLLFCWLLJDAHP-BEFAXECRSA-N 1 0 344.455 4.301 20 5 EIBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CS1 ZINC000566553946 1023489398 /nfs/dbraw/zinc/48/93/98/1023489398.db2.gz DRYKCXCPNGVNHB-SUMWQHHRSA-N 1 0 347.484 4.128 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)cc1F ZINC000468750456 1023580151 /nfs/dbraw/zinc/58/01/51/1023580151.db2.gz ZTMXFFKHOJCIPE-RNQWEJQRSA-N 1 0 344.386 4.497 20 5 EIBDRO C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000178124227 1023672671 /nfs/dbraw/zinc/67/26/71/1023672671.db2.gz ISHMWJSZYNOAJB-ZOCIIQOWSA-N 1 0 326.396 4.166 20 5 EIBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000062726340 1023706155 /nfs/dbraw/zinc/70/61/55/1023706155.db2.gz AIRCOTQPHQWCTQ-LBPRGKRZSA-N 1 0 349.228 4.251 20 5 EIBDRO Cn1cc(C[NH2+]CC2(C)CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000561564769 1023743606 /nfs/dbraw/zinc/74/36/06/1023743606.db2.gz MUCNMTMACXVPTJ-UHFFFAOYSA-N 1 0 342.443 4.055 20 5 EIBDRO Cc1cc(N2CCO[C@@H](c3ccccc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000541173857 1023747902 /nfs/dbraw/zinc/74/79/02/1023747902.db2.gz SJFUYKQBZITANF-HXUWFJFHSA-N 1 0 349.390 4.029 20 5 EIBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@H]2c2ccc[nH]2)c1 ZINC000549506630 1023813995 /nfs/dbraw/zinc/81/39/95/1023813995.db2.gz AILSGVYEISGXFI-HNNXBMFYSA-N 1 0 339.317 4.279 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@H]2CCCC23CCOCC3)cc1[N+](=O)[O-] ZINC000500421755 1023815735 /nfs/dbraw/zinc/81/57/35/1023815735.db2.gz OVNMNYOHCDGHFF-SFHVURJKSA-N 1 0 332.444 4.157 20 5 EIBDRO COc1ccc(C[NH2+][C@@]2(c3ccc(Cl)cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000500428910 1023825814 /nfs/dbraw/zinc/82/58/14/1023825814.db2.gz RRVXHVANSZVIDN-XIKOKIGWSA-N 1 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ZINC000049129659 1024802440 /nfs/dbraw/zinc/80/24/40/1024802440.db2.gz ZOWZMTLOZTYQDI-SECBINFHSA-N 1 0 326.805 4.169 20 5 EIBDRO C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178424065 1024817038 /nfs/dbraw/zinc/81/70/38/1024817038.db2.gz AQHDTZRHCDKTFP-UONOGXRCSA-N 1 0 346.452 4.401 20 5 EIBDRO C[C@@H]1CC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H](C)O1 ZINC000128535480 1025032946 /nfs/dbraw/zinc/03/29/46/1025032946.db2.gz OJDPZSYWVSOKJW-CHWSQXEVSA-N 1 0 346.452 4.369 20 5 EIBDRO C[C@H]([NH2+]CC1(O)CCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000610817510 1025053590 /nfs/dbraw/zinc/05/35/90/1025053590.db2.gz UBOJRTDPEUVNRW-ZDUSSCGKSA-N 1 0 346.452 4.279 20 5 EIBDRO CC(C)C([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)C ZINC000610898757 1025101775 /nfs/dbraw/zinc/10/17/75/1025101775.db2.gz AUZLFWWPSMHUHN-UHFFFAOYSA-N 1 0 333.457 4.489 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000121316696 1025197025 /nfs/dbraw/zinc/19/70/25/1025197025.db2.gz DEIDPZCVQIYFOX-KBPBESRZSA-N 1 0 344.411 4.332 20 5 EIBDRO COC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000568689307 1025295475 /nfs/dbraw/zinc/29/54/75/1025295475.db2.gz GYHRGPHEXNGCKC-JZLODUJNSA-N 1 0 346.814 4.239 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)C1CC1 ZINC000482123692 1025569899 /nfs/dbraw/zinc/56/98/99/1025569899.db2.gz QAZJQDAXZMVSFL-GOSISDBHSA-N 1 0 346.377 4.026 20 5 EIBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(C)(C)C)cc1Br ZINC001226061976 1025601097 /nfs/dbraw/zinc/60/10/97/1025601097.db2.gz YKUJDDJIITZQCG-GFCCVEGCSA-N 1 0 329.302 4.220 20 5 EIBDRO COCCCC[N@H+](Cc1ccccc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000512066705 1025869777 /nfs/dbraw/zinc/86/97/77/1025869777.db2.gz GRMAZWXFZUTNAO-UHFFFAOYSA-N 1 0 342.439 4.332 20 5 EIBDRO C[C@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)c1ccc([N+](=O)[O-])cc1 ZINC000894658844 1026309986 /nfs/dbraw/zinc/30/99/86/1026309986.db2.gz ZUDBHGBQFCDQFT-VIFPVBQESA-N 1 0 345.346 4.007 20 5 EIBDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000559952289 1026486702 /nfs/dbraw/zinc/48/67/02/1026486702.db2.gz HPYUHTOZUKIPJZ-LBPRGKRZSA-N 1 0 334.803 4.498 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000478237211 1026529336 /nfs/dbraw/zinc/52/93/36/1026529336.db2.gz OOBLQEMVMNAGAG-GOSISDBHSA-N 1 0 326.371 4.460 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC(F)(F)C3)o2)c(Cl)c1 ZINC000277607769 1026652320 /nfs/dbraw/zinc/65/23/20/1026652320.db2.gz IZEMRSIVLLFSCO-UHFFFAOYSA-N 1 0 342.729 4.396 20 5 EIBDRO COc1ccc(C[N@H+](Cc2cccc(F)c2)C(C)C)cc1[N+](=O)[O-] ZINC000507154686 1026676030 /nfs/dbraw/zinc/67/60/30/1026676030.db2.gz KKQMKRGVYAJBEZ-UHFFFAOYSA-N 1 0 332.375 4.153 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000178571630 1026692720 /nfs/dbraw/zinc/69/27/20/1026692720.db2.gz RQCHSISSBQGNFO-MSOLQXFVSA-N 1 0 346.814 4.119 20 5 EIBDRO C[C@@H]([NH2+]CC(C)(C)N(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000479872985 1026902032 /nfs/dbraw/zinc/90/20/32/1026902032.db2.gz KYARGXJQWAABEW-CYBMUJFWSA-N 1 0 347.484 4.314 20 5 EIBDRO COCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000479877401 1026904343 /nfs/dbraw/zinc/90/43/43/1026904343.db2.gz XXGMZRILHXWOCI-UHFFFAOYSA-N 1 0 340.851 4.325 20 5 EIBDRO C[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000178640551 1026968693 /nfs/dbraw/zinc/96/86/93/1026968693.db2.gz BZXDLSVPEXNYMQ-NSHDSACASA-N 1 0 340.301 4.344 20 5 EIBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000472253988 1027220231 /nfs/dbraw/zinc/22/02/31/1027220231.db2.gz BFJLDWXMTPCMOR-KRWDZBQOSA-N 1 0 348.834 4.062 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000248757870 1027322003 /nfs/dbraw/zinc/32/20/03/1027322003.db2.gz GIXFNWCZVFARBC-ZAAXVRCTSA-N 1 0 340.423 4.474 20 5 EIBDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC001167619968 1027372390 /nfs/dbraw/zinc/37/23/90/1027372390.db2.gz OGKUUKOJQZYGLV-GOEBONIOSA-N 1 0 328.387 4.187 20 5 EIBDRO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)cc1[N+](=O)[O-] ZINC000522466361 1027420828 /nfs/dbraw/zinc/42/08/28/1027420828.db2.gz MLKSBZJAWCJPAD-UHFFFAOYSA-N 1 0 344.386 4.155 20 5 EIBDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000441323434 1027449017 /nfs/dbraw/zinc/44/90/17/1027449017.db2.gz MZZHQXBTCKIITJ-RDTXWAMCSA-N 1 0 344.386 4.196 20 5 EIBDRO COCCC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCC1 ZINC000475492182 1027459777 /nfs/dbraw/zinc/45/97/77/1027459777.db2.gz LFGBJKUOWNULBS-UHFFFAOYSA-N 1 0 346.452 4.372 20 5 EIBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001167625698 1027473867 /nfs/dbraw/zinc/47/38/67/1027473867.db2.gz YYTRCXXXSNPYML-UHFFFAOYSA-N 1 0 345.365 4.098 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000178685423 1027474132 /nfs/dbraw/zinc/47/41/32/1027474132.db2.gz KKWZITJGBUXHRZ-OLZOCXBDSA-N 1 0 329.356 4.223 20 5 EIBDRO C[C@H](NCc1sccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000094259805 1027530010 /nfs/dbraw/zinc/53/00/10/1027530010.db2.gz LGRYDVBDTLXUHT-VIFPVBQESA-N 1 0 341.230 4.270 20 5 EIBDRO O=[N+]([O-])c1cccc(CNc2[nH+]ccn2Cc2ccccc2Cl)c1 ZINC000508503082 1027912551 /nfs/dbraw/zinc/91/25/51/1027912551.db2.gz GQTYJDNZZOWLIZ-UHFFFAOYSA-N 1 0 342.786 4.105 20 5 EIBDRO CC(C)[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000444749605 1028034944 /nfs/dbraw/zinc/03/49/44/1028034944.db2.gz UBNTYOMNQRJPGN-UKRRQHHQSA-N 1 0 344.415 4.074 20 5 EIBDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000523442076 1028118425 /nfs/dbraw/zinc/11/84/25/1028118425.db2.gz KDEPVSHEBMZMJP-IRXDYDNUSA-N 1 0 340.423 4.160 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000346791081 1028671492 /nfs/dbraw/zinc/67/14/92/1028671492.db2.gz GQICPMWDJZSONS-UGSOOPFHSA-N 1 0 326.396 4.332 20 5 EIBDRO CCC[N@@H+]1Cc2cccc(N[C@@H](C)c3ccccc3[N+](=O)[O-])c2C1 ZINC000080467454 1028844939 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USSQLKQBMZJAQF-ZDUSSCGKSA-N 1 0 344.415 4.218 20 5 EIBDRO COC1CCC(C)(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000475189604 1029354764 /nfs/dbraw/zinc/35/47/64/1029354764.db2.gz HUWAWYOEYWHVHM-DMKPSLHHSA-N 1 0 334.460 4.101 20 5 EIBDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000523008758 1029363690 /nfs/dbraw/zinc/36/36/90/1029363690.db2.gz BGWWIUVELLLCKN-PBHICJAKSA-N 1 0 328.387 4.154 20 5 EIBDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000523008760 1029363811 /nfs/dbraw/zinc/36/38/11/1029363811.db2.gz BGWWIUVELLLCKN-RHSMWYFYSA-N 1 0 328.387 4.154 20 5 EIBDRO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000525123365 1029464964 /nfs/dbraw/zinc/46/49/64/1029464964.db2.gz YVGGZWROPQPRDT-WMZOPIPTSA-N 1 0 340.423 4.099 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@H]4CCC[C@@H]43)cs2)c1 ZINC000428451747 1029535093 /nfs/dbraw/zinc/53/50/93/1029535093.db2.gz FKKQQIOKMKOKLE-WBMJQRKESA-N 1 0 329.425 4.093 20 5 EIBDRO CC(C)O[C@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000428452553 1029549142 /nfs/dbraw/zinc/54/91/42/1029549142.db2.gz LYNHSWUJUWBITL-LJQANCHMSA-N 1 0 328.412 4.193 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(CCc3ccc(O)cc3)CC2)cc1 ZINC000025937528 1029551717 /nfs/dbraw/zinc/55/17/17/1029551717.db2.gz AVVYZSLYUTZATK-UHFFFAOYSA-N 1 0 340.423 4.145 20 5 EIBDRO CO[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(C)C ZINC000525289827 1029559083 /nfs/dbraw/zinc/55/90/83/1029559083.db2.gz LXPJOJAQNSVFIT-INIZCTEOSA-N 1 0 334.441 4.084 20 5 EIBDRO COc1ccc(C2([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)CCCC2)cc1 ZINC000237501692 1030020460 /nfs/dbraw/zinc/02/04/60/1030020460.db2.gz ACLGPRHYJMZSSN-UHFFFAOYSA-N 1 0 340.423 4.471 20 5 EIBDRO Cc1ccc(C)c([C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)[C@@H](C)CO2)c1 ZINC000441445619 1030077789 /nfs/dbraw/zinc/07/77/89/1030077789.db2.gz YVXCMWFXSTUTIT-JXFKEZNVSA-N 1 0 340.423 4.174 20 5 EIBDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447589243 1030192144 /nfs/dbraw/zinc/19/21/44/1030192144.db2.gz XIJCYFLFARYAJN-LZQZEXGQSA-N 1 0 332.444 4.013 20 5 EIBDRO COC1CCC(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447595893 1030201326 /nfs/dbraw/zinc/20/13/26/1030201326.db2.gz BAERUCMTBBIVHF-ITXXBFQVSA-N 1 0 332.444 4.157 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000451117719 1030246969 /nfs/dbraw/zinc/24/69/69/1030246969.db2.gz VCYURJXPDUJIJI-ZDUSSCGKSA-N 1 0 326.396 4.332 20 5 EIBDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000526994500 1030392071 /nfs/dbraw/zinc/39/20/71/1030392071.db2.gz GWTIKENDVWBHFS-DZGCQCFKSA-N 1 0 328.412 4.194 20 5 EIBDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000530464062 1030420441 /nfs/dbraw/zinc/42/04/41/1030420441.db2.gz FEKYJMJBAPOGGD-KDOFPFPSSA-N 1 0 348.443 4.156 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2CCC2CCCC2)cc1 ZINC001168175581 1030682180 /nfs/dbraw/zinc/68/21/80/1030682180.db2.gz OKNQIRVEPUWKCA-MJGOQNOKSA-N 1 0 332.444 4.063 20 5 EIBDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000530973963 1030822082 /nfs/dbraw/zinc/82/20/82/1030822082.db2.gz CWDUVBQUXTZLLA-DGCLKSJQSA-N 1 0 346.349 4.062 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000530973853 1030822410 /nfs/dbraw/zinc/82/24/10/1030822410.db2.gz FBKNKEZIEHWIQL-ZYKCCNLVSA-N 1 0 326.396 4.199 20 5 EIBDRO CCC(CC)[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(C)C ZINC000531140051 1030909161 /nfs/dbraw/zinc/90/91/61/1030909161.db2.gz BBPRCDYPFMNCAI-UHFFFAOYSA-N 1 0 336.432 4.108 20 5 EIBDRO COc1cc(O)ccc1Nc1ccc2cc3ccc(N)cc3[nH+]c2c1 ZINC001213098223 1031175493 /nfs/dbraw/zinc/17/54/93/1031175493.db2.gz HSKDNOXZAAZDRZ-UHFFFAOYSA-N 1 0 331.375 4.428 20 5 EIBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000532522965 1031240722 /nfs/dbraw/zinc/24/07/22/1031240722.db2.gz LNOKHKUMNBUPAY-SJCJKPOMSA-N 1 0 334.803 4.287 20 5 EIBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000532578014 1031310376 /nfs/dbraw/zinc/31/03/76/1031310376.db2.gz OINSKJVGADIJQT-KRWDZBQOSA-N 1 0 343.427 4.303 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000449072480 1031425541 /nfs/dbraw/zinc/42/55/41/1031425541.db2.gz KTBZJVNNCWQYIA-BNOWGMLFSA-N 1 0 330.350 4.237 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)o1 ZINC000532628992 1031446050 /nfs/dbraw/zinc/44/60/50/1031446050.db2.gz XWJQTMXNLNVYBC-CQSZACIVSA-N 1 0 342.395 4.046 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000449183538 1031519356 /nfs/dbraw/zinc/51/93/56/1031519356.db2.gz KYPRKPSKULSQHW-IPYPFGDCSA-N 1 0 344.377 4.484 20 5 EIBDRO COc1ccccc1O[C@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531724911 1031525770 /nfs/dbraw/zinc/52/57/70/1031525770.db2.gz BEGBOELGVXLMJT-CABCVRRESA-N 1 0 344.411 4.030 20 5 EIBDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000449221708 1031556302 /nfs/dbraw/zinc/55/63/02/1031556302.db2.gz AWMMGFVUBJVOIV-LJHODMEESA-N 1 0 334.460 4.099 20 5 EIBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000449254605 1031570863 /nfs/dbraw/zinc/57/08/63/1031570863.db2.gz ZHKIJZDDLZEEDF-BPAFIMBUSA-N 1 0 340.423 4.036 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3c1cccc3F)CCC2 ZINC000570034820 1031583180 /nfs/dbraw/zinc/58/31/80/1031583180.db2.gz VIDONNHRRVJRFB-RTBURBONSA-N 1 0 326.371 4.388 20 5 EIBDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000449348313 1031646229 /nfs/dbraw/zinc/64/62/29/1031646229.db2.gz LUVIPQJQOIRVNF-AWEZNQCLSA-N 1 0 344.411 4.243 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)OC)cc1 ZINC000453229424 1031748008 /nfs/dbraw/zinc/74/80/08/1031748008.db2.gz QXMYYIZEWCBATC-SCLBCKFNSA-N 1 0 342.395 4.183 20 5 EIBDRO CO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1(C)C ZINC000449506691 1031814680 /nfs/dbraw/zinc/81/46/80/1031814680.db2.gz ZKMOMGKESLLEMT-SFHVURJKSA-N 1 0 344.411 4.102 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000453319321 1031844850 /nfs/dbraw/zinc/84/48/50/1031844850.db2.gz NGVJKEOGWCPPBR-AAEUAGOBSA-N 1 0 328.359 4.080 20 5 EIBDRO CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000453323410 1031849089 /nfs/dbraw/zinc/84/90/89/1031849089.db2.gz UFONPAONQJSZRM-KYNGSXCRSA-N 1 0 332.444 4.013 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cccc2cccnc21 ZINC000531942569 1031855608 /nfs/dbraw/zinc/85/56/08/1031855608.db2.gz LIPFNRBIVZLFRL-OAHLLOKOSA-N 1 0 335.407 4.345 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCSc2ccccc21 ZINC000573624756 1033410013 /nfs/dbraw/zinc/41/00/13/1033410013.db2.gz QJDULAFJGJOTFJ-HZPDHXFCSA-N 1 0 326.421 4.409 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)cc1[N+](=O)[O-] ZINC000573640641 1033417319 /nfs/dbraw/zinc/41/73/19/1033417319.db2.gz GBRSWFXGKRLQCN-YJYMSZOUSA-N 1 0 326.396 4.330 20 5 EIBDRO C[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1C ZINC000512643515 1033599087 /nfs/dbraw/zinc/59/90/87/1033599087.db2.gz DMZRZZMACMCFLU-STQMWFEESA-N 1 0 331.441 4.339 20 5 EIBDRO CSC1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000433066603 1033772595 /nfs/dbraw/zinc/77/25/95/1033772595.db2.gz KCVMNUXRUTVQKU-GOEBONIOSA-N 1 0 334.485 4.181 20 5 EIBDRO CSC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000433206817 1034058181 /nfs/dbraw/zinc/05/81/81/1034058181.db2.gz ILWXGVGVODHWNU-UHFFFAOYSA-N 1 0 334.466 4.309 20 5 EIBDRO CC1(C)C[C@H]([NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433238060 1034075567 /nfs/dbraw/zinc/07/55/67/1034075567.db2.gz CVUSXASWTZTSHT-NLWGTHIKSA-N 1 0 344.455 4.112 20 5 EIBDRO CC1(C)[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)[C@@H]2CCCO[C@@H]21 ZINC000433281835 1034148068 /nfs/dbraw/zinc/14/80/68/1034148068.db2.gz LAYIGTFQILRTBT-RUGDWHBFSA-N 1 0 344.455 4.110 20 5 EIBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000433282634 1034149293 /nfs/dbraw/zinc/14/92/93/1034149293.db2.gz MZGUIYWEKVUMMW-XWIAVFTESA-N 1 0 332.444 4.110 20 5 EIBDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000433282632 1034151057 /nfs/dbraw/zinc/15/10/57/1034151057.db2.gz MZGUIYWEKVUMMW-VHSSKADRSA-N 1 0 332.444 4.110 20 5 EIBDRO COCCC1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000433286993 1034175875 /nfs/dbraw/zinc/17/58/75/1034175875.db2.gz OSBYYOUVWKMIMK-QGZVFWFLSA-N 1 0 332.444 4.114 20 5 EIBDRO Cc1ccsc1[C@@H](CO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433290937 1034183470 /nfs/dbraw/zinc/18/34/70/1034183470.db2.gz UNNLSFRPQQYWMO-JKSUJKDBSA-N 1 0 346.452 4.010 20 5 EIBDRO CC1(C)C[C@H]([NH2+]CCC[C@H]2CCCC[C@@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000433293503 1034183995 /nfs/dbraw/zinc/18/39/95/1034183995.db2.gz FNZZTOMXSBBTQZ-CCKFTAQKSA-N 1 0 346.471 4.238 20 5 EIBDRO CC1(C)C[C@H]([NH2+]CCC[C@H]2CCCC[C@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000433293505 1034185409 /nfs/dbraw/zinc/18/54/09/1034185409.db2.gz FNZZTOMXSBBTQZ-MDASCCDHSA-N 1 0 346.471 4.238 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2(C(F)(F)F)CC2)o1 ZINC000512904501 1034188040 /nfs/dbraw/zinc/18/80/40/1034188040.db2.gz VNMMANSVHHBOTA-UHFFFAOYSA-N 1 0 340.301 4.287 20 5 EIBDRO COC1(C(F)(F)F)CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000419351002 1034400067 /nfs/dbraw/zinc/40/00/67/1034400067.db2.gz OCKDKGPXPWVUJG-LBPRGKRZSA-N 1 0 346.349 4.008 20 5 EIBDRO CCC1(C)CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000513075075 1034496357 /nfs/dbraw/zinc/49/63/57/1034496357.db2.gz JXFVMNCHJFKPTE-UHFFFAOYSA-N 1 0 342.443 4.007 20 5 EIBDRO C[N@@H+]1CC[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000473519195 1034739804 /nfs/dbraw/zinc/73/98/04/1034739804.db2.gz MYHSLWFUFZJFLR-PKOBYXMFSA-N 1 0 348.406 4.000 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCCCC34CCCC4)nc2c1 ZINC000513272908 1034863963 /nfs/dbraw/zinc/86/39/63/1034863963.db2.gz TZUIAKOIDQYMMF-MRXNPFEDSA-N 1 0 328.416 4.064 20 5 EIBDRO Cc1cnc([C@H](C)C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000183196232 1035337750 /nfs/dbraw/zinc/33/77/50/1035337750.db2.gz SDYADPDAKOSGHE-MLGOLLRUSA-N 1 0 345.468 4.074 20 5 EIBDRO Cc1c(C[N@H+](C)CCOc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000501451368 1035446493 /nfs/dbraw/zinc/44/64/93/1035446493.db2.gz QVKRGGYAZXKNQM-UHFFFAOYSA-N 1 0 334.803 4.067 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000595012185 1035505347 /nfs/dbraw/zinc/50/53/47/1035505347.db2.gz FBZGADSSJWXAKZ-SCLBCKFNSA-N 1 0 326.396 4.250 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000595019673 1035507121 /nfs/dbraw/zinc/50/71/21/1035507121.db2.gz PDIHSPDPGWYDKZ-QHRIQVFBSA-N 1 0 326.396 4.188 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000595019846 1035508814 /nfs/dbraw/zinc/50/88/14/1035508814.db2.gz RABPGRMFTMOIAX-DIFFPNOSSA-N 1 0 330.359 4.081 20 5 EIBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1C(F)(F)F ZINC000059402468 1035523567 /nfs/dbraw/zinc/52/35/67/1035523567.db2.gz AVFSZEFNWMFNLM-UHFFFAOYSA-N 1 0 338.329 4.288 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000595031639 1035560796 /nfs/dbraw/zinc/56/07/96/1035560796.db2.gz ASVLPLJXAXBDJS-NHYWBVRUSA-N 1 0 332.425 4.393 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CCC(CSC)CC1 ZINC000595042221 1035564255 /nfs/dbraw/zinc/56/42/55/1035564255.db2.gz RBMVZODOUVGRNR-IYXRBSQSSA-N 1 0 338.473 4.176 20 5 EIBDRO C[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000595047164 1035568443 /nfs/dbraw/zinc/56/84/43/1035568443.db2.gz BAXFPXUIUKXVIE-SCLBCKFNSA-N 1 0 325.412 4.106 20 5 EIBDRO C[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000595051931 1035570061 /nfs/dbraw/zinc/57/00/61/1035570061.db2.gz XVJQPPGCTHQAGG-MDZRGWNJSA-N 1 0 339.439 4.094 20 5 EIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)(C)C(F)F ZINC000595052429 1035570564 /nfs/dbraw/zinc/57/05/64/1035570564.db2.gz WSGNQVNTOPITMN-MRVPVSSYSA-N 1 0 340.292 4.383 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccnc2ccccc12 ZINC000595074411 1035589822 /nfs/dbraw/zinc/58/98/22/1035589822.db2.gz RKTVLYOHTHGQOJ-INIZCTEOSA-N 1 0 349.434 4.296 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](c1ccccc1)[C@@H](O)C(C)C ZINC000595096343 1035602659 /nfs/dbraw/zinc/60/26/59/1035602659.db2.gz JOKQQKWHAOEMDM-YSSFQJQWSA-N 1 0 342.439 4.312 20 5 EIBDRO CC[C@H]([NH2+][C@@H](c1ccccc1)[C@@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595094080 1035607051 /nfs/dbraw/zinc/60/70/51/1035607051.db2.gz BVWCDCRFOYJNHT-UFYCRDLUSA-N 1 0 342.439 4.394 20 5 EIBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2c2cccc3ccccc32)c1[N+](=O)[O-] ZINC000595295683 1035619784 /nfs/dbraw/zinc/61/97/84/1035619784.db2.gz OYBJRGMRRXDFOL-QGZVFWFLSA-N 1 0 337.379 4.382 20 5 EIBDRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595297328 1035627735 /nfs/dbraw/zinc/62/77/35/1035627735.db2.gz RHWFDLMKOCGLGP-JKSUJKDBSA-N 1 0 329.400 4.049 20 5 EIBDRO COc1ccc(C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000485080891 1035675676 /nfs/dbraw/zinc/67/56/76/1035675676.db2.gz SMSJRWCSXLTRSN-LBPRGKRZSA-N 1 0 334.803 4.450 20 5 EIBDRO Cc1noc(C[NH+]2CCC(C)(c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000595468798 1035687153 /nfs/dbraw/zinc/68/71/53/1035687153.db2.gz MFPAHTWDDRNQJP-UHFFFAOYSA-N 1 0 349.818 4.098 20 5 EIBDRO CCC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1ccccc1 ZINC000593021261 1035688879 /nfs/dbraw/zinc/68/88/79/1035688879.db2.gz SNSVLHXCANYJDU-KRWDZBQOSA-N 1 0 342.395 4.012 20 5 EIBDRO CC[N@H+](CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000491002032 1035768705 /nfs/dbraw/zinc/76/87/05/1035768705.db2.gz AGLKPGJAYWHCEX-HXUWFJFHSA-N 1 0 341.455 4.004 20 5 EIBDRO C[C@H](C[C@H]1CCCO1)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491016008 1035784273 /nfs/dbraw/zinc/78/42/73/1035784273.db2.gz BFLLFOVQTSXFMN-CDHQVMDDSA-N 1 0 340.423 4.231 20 5 EIBDRO C[C@H](C[C@H]1CCCO1)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491016012 1035784963 /nfs/dbraw/zinc/78/49/63/1035784963.db2.gz BFLLFOVQTSXFMN-YSGRDPCXSA-N 1 0 340.423 4.231 20 5 EIBDRO COc1cc(N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000571339623 1036028318 /nfs/dbraw/zinc/02/83/18/1036028318.db2.gz MHTXONVGXOIPRY-IFXJQAMLSA-N 1 0 343.427 4.015 20 5 EIBDRO CC(C)N(Cc1c(C2CCC2)cnn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000596980399 1036063012 /nfs/dbraw/zinc/06/30/12/1036063012.db2.gz ZSKOYNQWKVZCHP-UHFFFAOYSA-N 1 0 342.443 4.006 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H](CCF)C3)cs2)c1 ZINC000597209879 1036155771 /nfs/dbraw/zinc/15/57/71/1036155771.db2.gz FGCXJHCSMDFQEH-ZDUSSCGKSA-N 1 0 349.431 4.290 20 5 EIBDRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000237182214 1036201823 /nfs/dbraw/zinc/20/18/23/1036201823.db2.gz PMWQNRBFOFLYLW-CQSZACIVSA-N 1 0 346.452 4.121 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000502597594 1036392607 /nfs/dbraw/zinc/39/26/07/1036392607.db2.gz WBWXYHGTYIMWBG-OLZOCXBDSA-N 1 0 342.386 4.470 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCSC2)s1 ZINC000572105237 1036430582 /nfs/dbraw/zinc/43/05/82/1036430582.db2.gz XVJZWWWHZYAIPA-LBPRGKRZSA-N 1 0 334.466 4.166 20 5 EIBDRO CC[C@@](C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1 ZINC000602924990 1036670554 /nfs/dbraw/zinc/67/05/54/1036670554.db2.gz SMEFZJLFBZNKPW-GOSISDBHSA-N 1 0 342.374 4.025 20 5 EIBDRO CC(C)c1ccc(C[NH2+]C[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000061012478 1036768664 /nfs/dbraw/zinc/76/86/64/1036768664.db2.gz ZYOIFXARCFGPSS-HXUWFJFHSA-N 1 0 341.455 4.111 20 5 EIBDRO CC[C@@H]([NH2+]C[C@@H](OC)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000599059379 1036865408 /nfs/dbraw/zinc/86/54/08/1036865408.db2.gz AIVLWQZNSWNTHD-RTBURBONSA-N 1 0 344.411 4.032 20 5 EIBDRO Cc1ccc(C(C)(C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)nc1 ZINC000599070127 1036869678 /nfs/dbraw/zinc/86/96/78/1036869678.db2.gz LIVMPEFBTDVKHN-OAHLLOKOSA-N 1 0 327.428 4.235 20 5 EIBDRO Cc1ccc(F)cc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487151580 1037011526 /nfs/dbraw/zinc/01/15/26/1037011526.db2.gz CZNYAICQQWXGFO-UHFFFAOYSA-N 1 0 342.292 4.351 20 5 EIBDRO C[NH+](C)[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000603871808 1037066655 /nfs/dbraw/zinc/06/66/55/1037066655.db2.gz VJKHHRNKCJCPHP-INIZCTEOSA-N 1 0 337.782 4.102 20 5 EIBDRO CCC[N@H+](Cc1ccc(OC)cc1)Cc1cccc([N+](=O)[O-])c1C ZINC000603925861 1037096622 /nfs/dbraw/zinc/09/66/22/1037096622.db2.gz CBHLKVOOOXJLKN-UHFFFAOYSA-N 1 0 328.412 4.324 20 5 EIBDRO O=[N+]([O-])c1sccc1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000604433410 1037387981 /nfs/dbraw/zinc/38/79/81/1037387981.db2.gz RUTUYOHTWJGPDB-UHFFFAOYSA-N 1 0 331.441 4.254 20 5 EIBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521757 1037404557 /nfs/dbraw/zinc/40/45/57/1037404557.db2.gz XZLPSWRFGQBTNM-ICSRJNTNSA-N 1 0 340.423 4.195 20 5 EIBDRO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1F ZINC000604493331 1037405459 /nfs/dbraw/zinc/40/54/59/1037405459.db2.gz NYNALGQKZILVGF-UHFFFAOYSA-N 1 0 332.375 4.025 20 5 EIBDRO CCOc1cc(C[NH2+]C2(c3ccccc3C)CC2)ccc1[N+](=O)[O-] ZINC000592139883 1037749277 /nfs/dbraw/zinc/74/92/77/1037749277.db2.gz MODLDWGAHYBIBA-UHFFFAOYSA-N 1 0 326.396 4.081 20 5 EIBDRO COc1ccc(C[NH2+]C2(c3ccc(C)cc3)CCC2)cc1[N+](=O)[O-] ZINC000592187293 1037781492 /nfs/dbraw/zinc/78/14/92/1037781492.db2.gz JBGOEPDFVQSIGG-UHFFFAOYSA-N 1 0 326.396 4.081 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)CC(F)F ZINC000592392498 1037783153 /nfs/dbraw/zinc/78/31/53/1037783153.db2.gz YBVJEIPUASGPKU-NWDGAFQWSA-N 1 0 332.416 4.346 20 5 EIBDRO COc1ccccc1CC[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000489223909 1037897216 /nfs/dbraw/zinc/89/72/16/1037897216.db2.gz LFWRUPBPYSEJJO-HNNXBMFYSA-N 1 0 328.412 4.147 20 5 EIBDRO CCc1ccc([C@H]([NH2+][C@H]2CCS[C@@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000592397197 1037973078 /nfs/dbraw/zinc/97/30/78/1037973078.db2.gz DOPCMZXMFMEFLW-PZPSRYQVSA-N 1 0 346.452 4.323 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@@H]3CCCCO3)s2)cc1 ZINC000503935769 1038025049 /nfs/dbraw/zinc/02/50/49/1038025049.db2.gz GUCAPNOSOSNMGQ-INIZCTEOSA-N 1 0 346.452 4.372 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]CC2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000503938194 1038028743 /nfs/dbraw/zinc/02/87/43/1038028743.db2.gz SDMNDGIHJMYXLP-LBPRGKRZSA-N 1 0 342.386 4.470 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1cccc([N+](=O)[O-])c1 ZINC000423447963 1038228244 /nfs/dbraw/zinc/22/82/44/1038228244.db2.gz PJRLXLQTPKWNFO-SFHVURJKSA-N 1 0 325.412 4.194 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490017011 1038315878 /nfs/dbraw/zinc/31/58/78/1038315878.db2.gz XESOBGCVZMUMIK-QAPCUYQASA-N 1 0 325.412 4.232 20 5 EIBDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000490071493 1038329938 /nfs/dbraw/zinc/32/99/38/1038329938.db2.gz KFEITRCDBMQGGC-QGZVFWFLSA-N 1 0 334.803 4.068 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cc1ccccn1 ZINC000594513584 1038359088 /nfs/dbraw/zinc/35/90/88/1038359088.db2.gz DQCLQCGQNNNHKU-CABCVRRESA-N 1 0 345.468 4.081 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)CC(C)(C)C ZINC000063511878 1038410322 /nfs/dbraw/zinc/41/03/22/1038410322.db2.gz PIDKMHHRJHAAIQ-UHFFFAOYSA-N 1 0 335.448 4.036 20 5 EIBDRO COc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000539060724 1038806840 /nfs/dbraw/zinc/80/68/40/1038806840.db2.gz VRGZDMRKNQWFRP-LBPRGKRZSA-N 1 0 334.803 4.416 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000504899461 1038833389 /nfs/dbraw/zinc/83/33/89/1038833389.db2.gz HCKFPMHTYIIELC-OAHLLOKOSA-N 1 0 328.412 4.461 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000504900287 1038834567 /nfs/dbraw/zinc/83/45/67/1038834567.db2.gz VGZIDZNLDGYKQN-OLZOCXBDSA-N 1 0 334.441 4.337 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cc1ccncc1 ZINC000504912043 1038849777 /nfs/dbraw/zinc/84/97/77/1038849777.db2.gz PDKLMHVFVQFFMP-ZBFHGGJFSA-N 1 0 345.468 4.081 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000539251617 1038896758 /nfs/dbraw/zinc/89/67/58/1038896758.db2.gz XSWSFDSNAQROLR-SFHVURJKSA-N 1 0 328.412 4.480 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000555226468 1038994845 /nfs/dbraw/zinc/99/48/45/1038994845.db2.gz WBEVLIUGSWDTQT-WCXIOVBPSA-N 1 0 334.460 4.099 20 5 EIBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000537623383 1039003463 /nfs/dbraw/zinc/00/34/63/1039003463.db2.gz DSBDKBGFJGGHSZ-CZUORRHYSA-N 1 0 346.452 4.059 20 5 EIBDRO CSC[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000552102476 1039160552 /nfs/dbraw/zinc/16/05/52/1039160552.db2.gz AJEOSGMDJMRNRQ-CYBMUJFWSA-N 1 0 332.425 4.182 20 5 EIBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000505338706 1039222598 /nfs/dbraw/zinc/22/25/98/1039222598.db2.gz QMAJWWZIBRRKSH-BETUJISGSA-N 1 0 331.441 4.196 20 5 EIBDRO CCC1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000513823378 1039302167 /nfs/dbraw/zinc/30/21/67/1039302167.db2.gz TXHLMSCGTJOSEE-AEFFLSMTSA-N 1 0 346.471 4.102 20 5 EIBDRO CCC1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000513823381 1039302350 /nfs/dbraw/zinc/30/23/50/1039302350.db2.gz TXHLMSCGTJOSEE-WMZOPIPTSA-N 1 0 346.471 4.102 20 5 EIBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC(F)(F)C1 ZINC000600155902 1039336841 /nfs/dbraw/zinc/33/68/41/1039336841.db2.gz KLZBNOJRRDUAFH-QMMMGPOBSA-N 1 0 338.276 4.137 20 5 EIBDRO CC(C)[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC1CC1 ZINC000534337074 1039345399 /nfs/dbraw/zinc/34/53/99/1039345399.db2.gz WPONKUWCWIMYDQ-UHFFFAOYSA-N 1 0 331.441 4.339 20 5 EIBDRO COCCC1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000600189269 1039353824 /nfs/dbraw/zinc/35/38/24/1039353824.db2.gz OPXHTZDCFFCCRU-UHFFFAOYSA-N 1 0 344.411 4.103 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000555590973 1039400914 /nfs/dbraw/zinc/40/09/14/1039400914.db2.gz QAFOIHHOIZXMNX-MRXNPFEDSA-N 1 0 338.329 4.421 20 5 EIBDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000481537419 1039551725 /nfs/dbraw/zinc/55/17/25/1039551725.db2.gz BYVYONJRJGDJGY-MEBBXXQBSA-N 1 0 340.832 4.176 20 5 EIBDRO COc1ccc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000555735239 1039581199 /nfs/dbraw/zinc/58/11/99/1039581199.db2.gz HLMHEXAGFPLSCJ-SFHVURJKSA-N 1 0 340.423 4.201 20 5 EIBDRO CCCC[C@@H](CC)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000514088771 1039590253 /nfs/dbraw/zinc/59/02/53/1039590253.db2.gz MRZSOEYWNMUHIG-QAPCUYQASA-N 1 0 344.459 4.224 20 5 EIBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000514184374 1039707858 /nfs/dbraw/zinc/70/78/58/1039707858.db2.gz TWVVOYADINOQBA-GOSISDBHSA-N 1 0 340.423 4.119 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2nc3c(s2)CCCC3)cc1[N+](=O)[O-] ZINC000089667025 1039722568 /nfs/dbraw/zinc/72/25/68/1039722568.db2.gz RKGWPAAWJCQMOJ-CYBMUJFWSA-N 1 0 345.468 4.132 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)CCC2 ZINC000192607370 1039803370 /nfs/dbraw/zinc/80/33/70/1039803370.db2.gz DEAUJVPBKVICPU-KRWDZBQOSA-N 1 0 348.349 4.363 20 5 EIBDRO CCC1(CC)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534843410 1039811528 /nfs/dbraw/zinc/81/15/28/1039811528.db2.gz WUTAOOSQBNCROV-UHFFFAOYSA-N 1 0 329.400 4.262 20 5 EIBDRO CCCCc1ccc([C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C(C)C)cc1 ZINC000476678372 1039828864 /nfs/dbraw/zinc/82/88/64/1039828864.db2.gz YNFLKLMPLBHEMP-SFHVURJKSA-N 1 0 344.459 4.158 20 5 EIBDRO COc1ccc(C[NH2+][C@@H]2CCc3sc(Cl)cc32)cc1[N+](=O)[O-] ZINC000552899483 1039860180 /nfs/dbraw/zinc/86/01/80/1039860180.db2.gz QFDMNJGMRCKGHM-LLVKDONJSA-N 1 0 338.816 4.095 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]CCc2c[nH]c3cc(F)ccc23)cc1[N+](=O)[O-] ZINC000482116303 1040016773 /nfs/dbraw/zinc/01/67/73/1040016773.db2.gz VBDXDPMSKNMEQE-ZDUSSCGKSA-N 1 0 341.386 4.417 20 5 EIBDRO CC[C@@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1cccc([N+](=O)[O-])c1 ZINC000482125445 1040037613 /nfs/dbraw/zinc/03/76/13/1040037613.db2.gz XQDJPIXNFIDXQU-GOSISDBHSA-N 1 0 341.386 4.499 20 5 EIBDRO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1cccs1 ZINC000505611641 1040097662 /nfs/dbraw/zinc/09/76/62/1040097662.db2.gz QJRILNSYACKOJF-UHFFFAOYSA-N 1 0 345.449 4.412 20 5 EIBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc(OC(F)F)cc1 ZINC000505616026 1040101358 /nfs/dbraw/zinc/10/13/58/1040101358.db2.gz YCZSVZSTQWOKEL-XQRVVYSFSA-N 1 0 348.349 4.341 20 5 EIBDRO CC(=O)c1cc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000553556772 1040296827 /nfs/dbraw/zinc/29/68/27/1040296827.db2.gz OHSBBMFXNMMQIF-QGZVFWFLSA-N 1 0 345.443 4.006 20 5 EIBDRO COCCC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1 ZINC000442857588 1040363835 /nfs/dbraw/zinc/36/38/35/1040363835.db2.gz PYYKJGXMLZSHOK-GOSISDBHSA-N 1 0 346.402 4.300 20 5 EIBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000442882417 1040371415 /nfs/dbraw/zinc/37/14/15/1040371415.db2.gz LPORYHJRHSZPPW-CYBMUJFWSA-N 1 0 326.352 4.071 20 5 EIBDRO Cc1cccc(CC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000479463406 1040371360 /nfs/dbraw/zinc/37/13/60/1040371360.db2.gz KMYFFYHFDFNVQX-NRFANRHFSA-N 1 0 347.418 4.220 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(Cl)cc1OC)c1cccc([N+](=O)[O-])c1 ZINC000482622144 1040398960 /nfs/dbraw/zinc/39/89/60/1040398960.db2.gz VUKPVSDOIUDCDS-INIZCTEOSA-N 1 0 334.803 4.498 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1OC)c1cccc([N+](=O)[O-])c1 ZINC000482622145 1040400559 /nfs/dbraw/zinc/40/05/59/1040400559.db2.gz VUKPVSDOIUDCDS-MRXNPFEDSA-N 1 0 334.803 4.498 20 5 EIBDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000482641278 1040403498 /nfs/dbraw/zinc/40/34/98/1040403498.db2.gz KJPHVISLVBDNCE-HNAYVOBHSA-N 1 0 327.428 4.382 20 5 EIBDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000152784492 1040417269 /nfs/dbraw/zinc/41/72/69/1040417269.db2.gz UGUASMIBAYNEHY-ZDUSSCGKSA-N 1 0 332.375 4.292 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000479570688 1040460094 /nfs/dbraw/zinc/46/00/94/1040460094.db2.gz YAPKKHRZGHYJEV-INIZCTEOSA-N 1 0 332.787 4.034 20 5 EIBDRO COc1ccc(C[NH2+]CCc2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000515077976 1040462836 /nfs/dbraw/zinc/46/28/36/1040462836.db2.gz ZURCTZSUIXRLFF-UHFFFAOYSA-N 1 0 328.412 4.059 20 5 EIBDRO CCC[C@H](NC1CC[NH+](C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000160486310 1040547303 /nfs/dbraw/zinc/54/73/03/1040547303.db2.gz SOJJPLZJKCHYTD-FQEVSTJZSA-N 1 0 345.487 4.433 20 5 EIBDRO C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482949723 1040590526 /nfs/dbraw/zinc/59/05/26/1040590526.db2.gz PVVRDJBIMMJPIO-FZKQIMNGSA-N 1 0 346.452 4.401 20 5 EIBDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482950090 1040592106 /nfs/dbraw/zinc/59/21/06/1040592106.db2.gz SCRVDHREIXXMOC-WOSRLPQWSA-N 1 0 348.468 4.381 20 5 EIBDRO CC(C)[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000089911896 1040605661 /nfs/dbraw/zinc/60/56/61/1040605661.db2.gz GSBVGBMJAGJODP-UHFFFAOYSA-N 1 0 329.400 4.403 20 5 EIBDRO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000539633921 1040623961 /nfs/dbraw/zinc/62/39/61/1040623961.db2.gz AQBRBBFWOFGJOR-IRXDYDNUSA-N 1 0 334.460 4.402 20 5 EIBDRO CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000539678851 1040699363 /nfs/dbraw/zinc/69/93/63/1040699363.db2.gz AOWAJNASVOUTFA-BPQIPLTHSA-N 1 0 334.460 4.099 20 5 EIBDRO C[C@H]([NH2+]CC(C)(C)N(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000479872987 1040733849 /nfs/dbraw/zinc/73/38/49/1040733849.db2.gz KYARGXJQWAABEW-ZDUSSCGKSA-N 1 0 347.484 4.314 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCNc1ccccc1)C1CC1 ZINC000483235359 1040775028 /nfs/dbraw/zinc/77/50/28/1040775028.db2.gz LHEHGTWHOMMIEP-IBGZPJMESA-N 1 0 339.439 4.008 20 5 EIBDRO CC[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000193023881 1040791306 /nfs/dbraw/zinc/79/13/06/1040791306.db2.gz HWOGXLYTQZPBDK-ZWKOTPCHSA-N 1 0 343.427 4.066 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(C(F)F)CC3)o2)cc1 ZINC000539835433 1040830690 /nfs/dbraw/zinc/83/06/90/1040830690.db2.gz ZRFSDWAZXPFDKD-UHFFFAOYSA-N 1 0 336.338 4.332 20 5 EIBDRO COCc1csc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000595077873 1040858827 /nfs/dbraw/zinc/85/88/27/1040858827.db2.gz QTSVZVSKXNRISI-QGZVFWFLSA-N 1 0 346.452 4.315 20 5 EIBDRO COC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000537984193 1040955840 /nfs/dbraw/zinc/95/58/40/1040955840.db2.gz LLLVSZIWUCDATH-KDOFPFPSSA-N 1 0 346.402 4.032 20 5 EIBDRO CCC[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000483687065 1040962130 /nfs/dbraw/zinc/96/21/30/1040962130.db2.gz SOWGQVJEFNUEHH-OTWHNJEPSA-N 1 0 342.443 4.406 20 5 EIBDRO CCC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000537973640 1040975054 /nfs/dbraw/zinc/97/50/54/1040975054.db2.gz TWLVJXBMVAZUDA-KRWDZBQOSA-N 1 0 344.411 4.243 20 5 EIBDRO CC(C)(CO)C(C)(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000554320401 1040986468 /nfs/dbraw/zinc/98/64/68/1040986468.db2.gz XWMACOSEPSZUOG-UHFFFAOYSA-N 1 0 348.468 4.210 20 5 EIBDRO CO[C@@](C)(C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000462815031 1040986586 /nfs/dbraw/zinc/98/65/86/1040986586.db2.gz BIGBNGGXMMDJCL-PMACEKPBSA-N 1 0 340.423 4.089 20 5 EIBDRO CO[C@@](C)(C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000462815032 1040987463 /nfs/dbraw/zinc/98/74/63/1040987463.db2.gz BIGBNGGXMMDJCL-UXHICEINSA-N 1 0 340.423 4.089 20 5 EIBDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000903289289 1041011517 /nfs/dbraw/zinc/01/15/17/1041011517.db2.gz RTPIPMOFVWFQMI-ZIAGYGMSSA-N 1 0 342.395 4.168 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCOC1CCCCC1)C1CC1 ZINC000480159138 1041014811 /nfs/dbraw/zinc/01/48/11/1041014811.db2.gz KOCZKAXCMHJRFZ-LJQANCHMSA-N 1 0 346.471 4.245 20 5 EIBDRO C[C@@H]([NH2+]CCCO[C@H](C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000480172537 1041032321 /nfs/dbraw/zinc/03/23/21/1041032321.db2.gz NJEJOSQIJWCCEM-HZPDHXFCSA-N 1 0 328.412 4.413 20 5 EIBDRO C[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC12CCC2 ZINC000540042745 1041065947 /nfs/dbraw/zinc/06/59/47/1041065947.db2.gz KMAPDTMPBCUEAV-AWEZNQCLSA-N 1 0 341.411 4.262 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000540136523 1041178675 /nfs/dbraw/zinc/17/86/75/1041178675.db2.gz PGWXLMSLBUEKTC-VPWXQRGCSA-N 1 0 340.423 4.332 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cnc2ccccc2c1)C1CC1 ZINC000540173532 1041219837 /nfs/dbraw/zinc/21/98/37/1041219837.db2.gz IJEZZRIJIBDDLP-FQEVSTJZSA-N 1 0 347.418 4.254 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCc1cccs1)C1CC1 ZINC000540165760 1041229551 /nfs/dbraw/zinc/22/95/51/1041229551.db2.gz WYEOAOZERVLGRC-QGZVFWFLSA-N 1 0 330.453 4.200 20 5 EIBDRO CC[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000484491916 1041265282 /nfs/dbraw/zinc/26/52/82/1041265282.db2.gz JSYJALGZOUXGRN-XJKSGUPXSA-N 1 0 332.375 4.242 20 5 EIBDRO Cc1c(C[NH2+]Cc2ccc(OCC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000480483618 1041322004 /nfs/dbraw/zinc/32/20/04/1041322004.db2.gz QKQKIBYFYBTGTG-UHFFFAOYSA-N 1 0 328.412 4.228 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1SCCc2ccccc21 ZINC000538429356 1041333707 /nfs/dbraw/zinc/33/37/07/1041333707.db2.gz BSEVHWLTANBYKB-NVAPOSRTSA-N 1 0 340.448 4.228 20 5 EIBDRO CCCCn1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c(C)n1 ZINC000540319640 1041366713 /nfs/dbraw/zinc/36/67/13/1041366713.db2.gz DLKNBPFIMXDSRQ-OAHLLOKOSA-N 1 0 330.432 4.059 20 5 EIBDRO Cc1cc(N2CC[C@@H](C(F)(F)F)[C@@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000480556013 1041388450 /nfs/dbraw/zinc/38/84/50/1041388450.db2.gz PQLUYVPELASYED-GXFFZTMASA-N 1 0 339.317 4.229 20 5 EIBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505861287 1041424930 /nfs/dbraw/zinc/42/49/30/1041424930.db2.gz CHCRBDYMLUBPEL-JKSUJKDBSA-N 1 0 326.396 4.057 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505861286 1041425774 /nfs/dbraw/zinc/42/57/74/1041425774.db2.gz CHCRBDYMLUBPEL-HZPDHXFCSA-N 1 0 326.396 4.057 20 5 EIBDRO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000480670205 1041463603 /nfs/dbraw/zinc/46/36/03/1041463603.db2.gz YVNASPXDEFRLOJ-YRGRVCCFSA-N 1 0 330.350 4.094 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCOC4(CCC4)C3)s2)cc1 ZINC000538719594 1041490409 /nfs/dbraw/zinc/49/04/09/1041490409.db2.gz UVBBXDNQVMLLEC-UHFFFAOYSA-N 1 0 344.436 4.078 20 5 EIBDRO Cc1ccccc1[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000540591148 1041548302 /nfs/dbraw/zinc/54/83/02/1041548302.db2.gz BYIGGUGGBHFSGA-LJQANCHMSA-N 1 0 326.396 4.023 20 5 EIBDRO CCCCCn1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c(C)n1 ZINC000539040985 1041616636 /nfs/dbraw/zinc/61/66/36/1041616636.db2.gz JDZWNSGHIYIZBQ-INIZCTEOSA-N 1 0 344.459 4.449 20 5 EIBDRO COc1ccc([C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000595408203 1041621609 /nfs/dbraw/zinc/62/16/09/1041621609.db2.gz JKVOORMZDQAOKH-GOSISDBHSA-N 1 0 332.375 4.229 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000437076891 1041627109 /nfs/dbraw/zinc/62/71/09/1041627109.db2.gz NFAJAJBPPSOCRE-CXAGYDPISA-N 1 0 344.386 4.168 20 5 EIBDRO Cc1c([C@@H](C)Nc2cccc(OCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000540840773 1041697581 /nfs/dbraw/zinc/69/75/81/1041697581.db2.gz QFFUHXJRSHOPLP-OAHLLOKOSA-N 1 0 343.427 4.017 20 5 EIBDRO COc1cc(C[N@H+](C)[C@@H]2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000540902172 1041726330 /nfs/dbraw/zinc/72/63/30/1041726330.db2.gz YHAZTHLSSQZVOA-QGZVFWFLSA-N 1 0 326.396 4.113 20 5 EIBDRO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000467358432 1041818958 /nfs/dbraw/zinc/81/89/58/1041818958.db2.gz NXUJXNIRTPLILQ-FUHWJXTLSA-N 1 0 339.439 4.423 20 5 EIBDRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000467358433 1041820240 /nfs/dbraw/zinc/82/02/40/1041820240.db2.gz NXUJXNIRTPLILQ-SJLPKXTDSA-N 1 0 339.439 4.423 20 5 EIBDRO Cc1cc(N2CCC[C@@H]2c2ccccn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000541160972 1041831435 /nfs/dbraw/zinc/83/14/35/1041831435.db2.gz RKKNTHFLXOLOAT-GOSISDBHSA-N 1 0 334.379 4.188 20 5 EIBDRO Cc1cc(C)c(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c(C)n1 ZINC000460461410 1041980227 /nfs/dbraw/zinc/98/02/27/1041980227.db2.gz LRCZXTKZFJHVAB-UHFFFAOYSA-N 1 0 333.775 4.129 20 5 EIBDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000506178220 1042059528 /nfs/dbraw/zinc/05/95/28/1042059528.db2.gz IRDPFZZAMHZLDR-KSSFIOAISA-N 1 0 342.443 4.006 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1CC(F)(F)C1 ZINC000425956843 1042080448 /nfs/dbraw/zinc/08/04/48/1042080448.db2.gz YSPLFYGCOJFPFP-GFCCVEGCSA-N 1 0 330.400 4.100 20 5 EIBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCSC1 ZINC000506193683 1042100094 /nfs/dbraw/zinc/10/00/94/1042100094.db2.gz XPHWWUGVNPRENW-LBPRGKRZSA-N 1 0 334.466 4.261 20 5 EIBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000464731338 1042135782 /nfs/dbraw/zinc/13/57/82/1042135782.db2.gz FDWZAXAMDAQFBP-CZUORRHYSA-N 1 0 344.415 4.045 20 5 EIBDRO C[C@@H]([NH2+]CCCCCOc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000437804980 1042174339 /nfs/dbraw/zinc/17/43/39/1042174339.db2.gz VYEBXOKOMWLSCB-MRXNPFEDSA-N 1 0 328.412 4.495 20 5 EIBDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1F ZINC000090217417 1042184407 /nfs/dbraw/zinc/18/44/07/1042184407.db2.gz FEPAXHIXGDREJW-STQMWFEESA-N 1 0 332.375 4.463 20 5 EIBDRO COc1ccc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000518005756 1042306046 /nfs/dbraw/zinc/30/60/46/1042306046.db2.gz XNVDRQOPIQBCMO-QGZVFWFLSA-N 1 0 340.423 4.058 20 5 EIBDRO COCc1cc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])ccc1OC ZINC000271777222 1042357880 /nfs/dbraw/zinc/35/78/80/1042357880.db2.gz KZNCOUZGOGOSEE-KGLIPLIRSA-N 1 0 344.411 4.162 20 5 EIBDRO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CC=CCC1 ZINC000542249348 1042360367 /nfs/dbraw/zinc/36/03/67/1042360367.db2.gz MQMRWFHTRJHUSB-CQSZACIVSA-N 1 0 327.384 4.038 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271838535 1042434825 /nfs/dbraw/zinc/43/48/25/1042434825.db2.gz VPMXQSHEYCUFLV-STQMWFEESA-N 1 0 329.356 4.223 20 5 EIBDRO COc1cc(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000549926974 1042492168 /nfs/dbraw/zinc/49/21/68/1042492168.db2.gz HOENQJBKOFFLND-XQRVVYSFSA-N 1 0 346.814 4.102 20 5 EIBDRO CCC(CC)[C@H](O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000492102530 1042556223 /nfs/dbraw/zinc/55/62/23/1042556223.db2.gz ZMURCOJWYUWPHD-WOJBJXKFSA-N 1 0 342.439 4.071 20 5 EIBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000492223228 1042584704 /nfs/dbraw/zinc/58/47/04/1042584704.db2.gz KGZHTAYINVXCFH-YSSFQJQWSA-N 1 0 342.439 4.071 20 5 EIBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000492379213 1042627812 /nfs/dbraw/zinc/62/78/12/1042627812.db2.gz WAQMQKFSKPYSHZ-OAHLLOKOSA-N 1 0 332.425 4.392 20 5 EIBDRO CCOc1cc(C[NH2+][C@H](CC)c2ccc(OC)cc2)ccc1[N+](=O)[O-] ZINC000492580210 1042701881 /nfs/dbraw/zinc/70/18/81/1042701881.db2.gz CJIKJWSULSVIOC-QGZVFWFLSA-N 1 0 344.411 4.243 20 5 EIBDRO CCOc1cc(C[NH2+]C2(c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000492586765 1042703124 /nfs/dbraw/zinc/70/31/24/1042703124.db2.gz ZHFNEZSTHUAHJC-UHFFFAOYSA-N 1 0 346.814 4.426 20 5 EIBDRO CCOc1cc(C[N@H+](C)[C@H]2CC[C@H](SCC)C2)ccc1[N+](=O)[O-] ZINC000492776074 1042747060 /nfs/dbraw/zinc/74/70/60/1042747060.db2.gz TZRWPXUVUQTXML-GJZGRUSLSA-N 1 0 338.473 4.100 20 5 EIBDRO CO[C@H](C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000493038867 1042799598 /nfs/dbraw/zinc/79/95/98/1042799598.db2.gz WXSTWKWVMNJIFN-MOPGFXCFSA-N 1 0 342.439 4.335 20 5 EIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC000493634700 1042941248 /nfs/dbraw/zinc/94/12/48/1042941248.db2.gz KFPGPJXQWISWAT-HOTGVXAUSA-N 1 0 347.459 4.036 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1CCC(F)(F)CC1)C1CC1 ZINC000503954350 1043192283 /nfs/dbraw/zinc/19/22/83/1043192283.db2.gz VZAWCDFQUIUYBY-INIZCTEOSA-N 1 0 338.398 4.331 20 5 EIBDRO CCC[C@H]([NH2+][C@@H]1COCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000417399935 1043247644 /nfs/dbraw/zinc/24/76/44/1043247644.db2.gz IWFIQSMRZKXYBN-RBUKOAKNSA-N 1 0 326.396 4.297 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](c2cccnc2)C(C)C)cccc1[N+](=O)[O-] ZINC000164159286 1043304425 /nfs/dbraw/zinc/30/44/25/1043304425.db2.gz TUPGLWJCNPWAFN-CRAIPNDOSA-N 1 0 327.428 4.389 20 5 EIBDRO C[NH+](C)CC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301807474 1043485261 /nfs/dbraw/zinc/48/52/61/1043485261.db2.gz WPMNYGUPGKVSJQ-UHFFFAOYSA-N 1 0 345.365 4.146 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2ccccc2C)CC1 ZINC000730260249 1043486797 /nfs/dbraw/zinc/48/67/97/1043486797.db2.gz FIVPULKBORNLIB-UHFFFAOYSA-N 1 0 340.423 4.291 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000521067877 1043513765 /nfs/dbraw/zinc/51/37/65/1043513765.db2.gz DHEUWYLTTQQIIA-IRXDYDNUSA-N 1 0 342.370 4.225 20 5 EIBDRO CC(C)O[C@@H](C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000428251046 1043694762 /nfs/dbraw/zinc/69/47/62/1043694762.db2.gz SPTMAWJPXOXXJZ-FQEVSTJZSA-N 1 0 340.423 4.119 20 5 EIBDRO CC1(C)CCc2cc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000731677881 1043815087 /nfs/dbraw/zinc/81/50/87/1043815087.db2.gz AUBWOEKPYWZVSV-UHFFFAOYSA-N 1 0 340.423 4.031 20 5 EIBDRO C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000245462208 1043914666 /nfs/dbraw/zinc/91/46/66/1043914666.db2.gz NSKVKFPZFSLGMW-GDIGMMSISA-N 1 0 326.396 4.166 20 5 EIBDRO C[C@H]([NH2+]Cc1ccccc1OC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000173426715 1043963453 /nfs/dbraw/zinc/96/34/53/1043963453.db2.gz VCJBIOUBJBYIEB-AWEZNQCLSA-N 1 0 326.396 4.377 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-n2cccn2)cc1 ZINC000173456620 1043975609 /nfs/dbraw/zinc/97/56/09/1043975609.db2.gz CXPPIQXTTVQUFQ-CABCVRRESA-N 1 0 336.395 4.192 20 5 EIBDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494762416 1044078827 /nfs/dbraw/zinc/07/88/27/1044078827.db2.gz YQXXXASTJHGWJO-UGSOOPFHSA-N 1 0 348.830 4.157 20 5 EIBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000301920259 1044238239 /nfs/dbraw/zinc/23/82/39/1044238239.db2.gz XDESELQKHAOMBB-HIFRSBDPSA-N 1 0 335.448 4.057 20 5 EIBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000494789337 1044258601 /nfs/dbraw/zinc/25/86/01/1044258601.db2.gz ADRAERFHBWSGAN-KDOFPFPSSA-N 1 0 346.814 4.116 20 5 EIBDRO CCC[C@@]1(C)CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000174453465 1044273246 /nfs/dbraw/zinc/27/32/46/1044273246.db2.gz MQCYOVOFYZZWJY-SFHVURJKSA-N 1 0 344.415 4.047 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc1 ZINC000474048124 1044298344 /nfs/dbraw/zinc/29/83/44/1044298344.db2.gz WFHRKQQLCHCERL-YZGWKJHDSA-N 1 0 346.471 4.102 20 5 EIBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001168766813 1044347583 /nfs/dbraw/zinc/34/75/83/1044347583.db2.gz VLEPSNAPIIXHCT-QGZVFWFLSA-N 1 0 334.366 4.230 20 5 EIBDRO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000282639426 1044356928 /nfs/dbraw/zinc/35/69/28/1044356928.db2.gz BNFAJVNUGWIGRW-CYBMUJFWSA-N 1 0 332.375 4.372 20 5 EIBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@H](COc2ccccc2)C1 ZINC000494823338 1044397184 /nfs/dbraw/zinc/39/71/84/1044397184.db2.gz MHDOUZMYYHPJOL-AWEZNQCLSA-N 1 0 346.814 4.149 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000522268803 1044456616 /nfs/dbraw/zinc/45/66/16/1044456616.db2.gz GIPOTBJVQNXSOX-UHFFFAOYSA-N 1 0 326.371 4.066 20 5 EIBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000142816077 1044491875 /nfs/dbraw/zinc/49/18/75/1044491875.db2.gz DXHRQCAZEOWTQE-LBPRGKRZSA-N 1 0 337.470 4.042 20 5 EIBDRO COc1ccc([C@@H](C)C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000466469645 1044567884 /nfs/dbraw/zinc/56/78/84/1044567884.db2.gz WGKOJCURFXWRFM-LBPRGKRZSA-N 1 0 334.803 4.150 20 5 EIBDRO CCc1ccc([C@H]([NH2+]C[C@@H]2CCCS2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544359265 1044625414 /nfs/dbraw/zinc/62/54/14/1044625414.db2.gz HOZSXVDBFJWZPX-FUHWJXTLSA-N 1 0 346.452 4.325 20 5 EIBDRO C[N@H+](CCC1CCOCC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000129641686 1044741350 /nfs/dbraw/zinc/74/13/50/1044741350.db2.gz VMQASZJAHWHIGQ-UHFFFAOYSA-N 1 0 344.411 4.103 20 5 EIBDRO Cc1csc([C@@H]2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000092788128 1044799529 /nfs/dbraw/zinc/79/95/29/1044799529.db2.gz QBPWPAPRTUMQIK-OAHLLOKOSA-N 1 0 331.441 4.048 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CCCCO2)CC1 ZINC000895653688 1044837822 /nfs/dbraw/zinc/83/78/22/1044837822.db2.gz LTHOMUSHODZCPS-DTQAZKPQSA-N 1 0 330.428 4.033 20 5 EIBDRO CC[C@H](C)[NH+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc([N+](=O)[O-])c1 ZINC000914869480 1044840685 /nfs/dbraw/zinc/84/06/85/1044840685.db2.gz VMEUHEIDJDWBQW-AWEZNQCLSA-N 1 0 343.383 4.304 20 5 EIBDRO C[C@H](CCOCc1ccccc1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000389939597 1044846262 /nfs/dbraw/zinc/84/62/62/1044846262.db2.gz MBSXJIBCTMJJID-HZPDHXFCSA-N 1 0 328.412 4.241 20 5 EIBDRO COc1ccc2c(c1)[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000495370081 1044997419 /nfs/dbraw/zinc/99/74/19/1044997419.db2.gz ZZEFICZPUPJTTG-KRWDZBQOSA-N 1 0 346.814 4.076 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCCc4cccnc43)o2)cc1 ZINC000922881329 1045019356 /nfs/dbraw/zinc/01/93/56/1045019356.db2.gz NIJGUGBUSXMORM-SFHVURJKSA-N 1 0 349.390 4.417 20 5 EIBDRO COCc1cccc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)c1 ZINC000302213269 1045168093 /nfs/dbraw/zinc/16/80/93/1045168093.db2.gz ZFJCHNFRSQLCMH-UHFFFAOYSA-N 1 0 337.379 4.210 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000131371106 1045196309 /nfs/dbraw/zinc/19/63/09/1045196309.db2.gz GISPJHNUTVXHPM-GOSISDBHSA-N 1 0 341.411 4.020 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000162285264 1045244136 /nfs/dbraw/zinc/24/41/36/1045244136.db2.gz ZKBLTGRCBRACSM-CHWSQXEVSA-N 1 0 332.375 4.463 20 5 EIBDRO C[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000611081092 1045249634 /nfs/dbraw/zinc/24/96/34/1045249634.db2.gz NQTPDBUAGJISAX-SUMDDJOVSA-N 1 0 339.439 4.094 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](c3ccco3)C2)o1 ZINC000611271287 1045270532 /nfs/dbraw/zinc/27/05/32/1045270532.db2.gz LPBFIDPLVBXXEX-AWEZNQCLSA-N 1 0 338.363 4.437 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@H]3C3CC3)cs2)c1 ZINC000611268570 1045270598 /nfs/dbraw/zinc/27/05/98/1045270598.db2.gz USGAKPSLNNURTB-INIZCTEOSA-N 1 0 329.425 4.093 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](CO)[C@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611335881 1045282178 /nfs/dbraw/zinc/28/21/78/1045282178.db2.gz KEFMPLHFZPSKNX-XPGWFJOJSA-N 1 0 342.439 4.190 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000611470312 1045314313 /nfs/dbraw/zinc/31/43/13/1045314313.db2.gz XMMZUJLPJVYFGU-NEPJUHHUSA-N 1 0 334.441 4.133 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@H]2CCC(F)(F)C2)c2ccccc2)c1 ZINC000611521623 1045319287 /nfs/dbraw/zinc/31/92/87/1045319287.db2.gz JTQZXFLEJLCMRB-RDJZCZTQSA-N 1 0 332.350 4.462 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000611515613 1045321455 /nfs/dbraw/zinc/32/14/55/1045321455.db2.gz HCRBTJQTRCRNFZ-JXFKEZNVSA-N 1 0 340.423 4.428 20 5 EIBDRO CCN(CC)C[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000609222358 1045416082 /nfs/dbraw/zinc/41/60/82/1045416082.db2.gz FRPBTBDLZFQNOI-AWEZNQCLSA-N 1 0 347.484 4.143 20 5 EIBDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000193901649 1045539571 /nfs/dbraw/zinc/53/95/71/1045539571.db2.gz WVBYCGWVTOBQKV-DJJJIMSYSA-N 1 0 326.396 4.332 20 5 EIBDRO COc1cc(C)c([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1C ZINC000790694465 1045559162 /nfs/dbraw/zinc/55/91/62/1045559162.db2.gz IRIUSVGHGPLPHJ-HNNXBMFYSA-N 1 0 328.412 4.379 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc2c(c1)CCCO2 ZINC000790694903 1045559867 /nfs/dbraw/zinc/55/98/67/1045559867.db2.gz KILUULQSISWJDG-GOSISDBHSA-N 1 0 340.423 4.469 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccccc1N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000194061315 1045600889 /nfs/dbraw/zinc/60/08/89/1045600889.db2.gz ZEORSEBGOFZVJY-MRXNPFEDSA-N 1 0 339.439 4.436 20 5 EIBDRO COc1cccc2cc([C@H](C)[NH2+]CCc3ccc([N+](=O)[O-])cc3)oc21 ZINC000326448926 1045702617 /nfs/dbraw/zinc/70/26/17/1045702617.db2.gz CQZOWXWFSCCWCB-ZDUSSCGKSA-N 1 0 340.379 4.243 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2c(C)cccc2F)cc1[N+](=O)[O-] ZINC000768101341 1045713511 /nfs/dbraw/zinc/71/35/11/1045713511.db2.gz GFCRCQZOUZBAOM-CYBMUJFWSA-N 1 0 332.375 4.292 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000609234831 1045726596 /nfs/dbraw/zinc/72/65/96/1045726596.db2.gz RDAUOARGMIVXME-BXUZGUMPSA-N 1 0 332.404 4.120 20 5 EIBDRO COCC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccc(C)o1 ZINC000272648911 1045736259 /nfs/dbraw/zinc/73/62/59/1045736259.db2.gz PKDYNSKYKLWIBG-WMLDXEAASA-N 1 0 332.400 4.233 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)cc1Cl ZINC000792192029 1045876821 /nfs/dbraw/zinc/87/68/21/1045876821.db2.gz JJVOPWKLTKHMRM-AWEZNQCLSA-N 1 0 338.835 4.220 20 5 EIBDRO OCC[N@H+](Cc1cccnc1)Cc1c2ccccc2cc2ccccc21 ZINC000769331613 1045923614 /nfs/dbraw/zinc/92/36/14/1045923614.db2.gz UKVYROMESCKEEB-UHFFFAOYSA-N 1 0 342.442 4.383 20 5 EIBDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153873937 1045932977 /nfs/dbraw/zinc/93/29/77/1045932977.db2.gz QAGYMJPXASXMNE-CQSZACIVSA-N 1 0 326.824 4.029 20 5 EIBDRO COc1ccc(C[C@H](C)[N@H+](C)C/C=C/c2ccccc2)c([N+](=O)[O-])c1 ZINC001170352815 1046007659 /nfs/dbraw/zinc/00/76/59/1046007659.db2.gz RDIXPLQQYVOFDG-JCVNQNCUSA-N 1 0 340.423 4.180 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CC=CCC3)o2)c([N+](=O)[O-])c1 ZINC000237438879 1046026731 /nfs/dbraw/zinc/02/67/31/1046026731.db2.gz AOIQXDMBDNITLW-ZDUSSCGKSA-N 1 0 328.368 4.062 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ccc(CF)cc3)C2)cc1 ZINC001170423883 1046121436 /nfs/dbraw/zinc/12/14/36/1046121436.db2.gz JUYZXDMXKZTJJB-GOSISDBHSA-N 1 0 328.387 4.444 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ccc4cc[nH]c4c3)C2)cc1 ZINC001170425267 1046136589 /nfs/dbraw/zinc/13/65/89/1046136589.db2.gz SJSVDSTYYCBWPB-GOSISDBHSA-N 1 0 335.407 4.456 20 5 EIBDRO C[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000793362880 1046214611 /nfs/dbraw/zinc/21/46/11/1046214611.db2.gz OYVDDAGPTQSERQ-UZUQRXQVSA-N 1 0 347.458 4.373 20 5 EIBDRO Clc1c2ccccc2c(C[NH2+]C[C@@H]2COCCO2)c2ccccc12 ZINC000916840024 1046384075 /nfs/dbraw/zinc/38/40/75/1046384075.db2.gz WSERTDAJGVJPEV-CQSZACIVSA-N 1 0 341.838 4.151 20 5 EIBDRO CO[C@@H](C)C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC000536659826 1046628790 /nfs/dbraw/zinc/62/87/90/1046628790.db2.gz IIOUWUGZTITKPO-AWEZNQCLSA-N 1 0 332.400 4.100 20 5 EIBDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000536697873 1046697995 /nfs/dbraw/zinc/69/79/95/1046697995.db2.gz HTZMMTGWHZFPBP-HNNXBMFYSA-N 1 0 345.468 4.432 20 5 EIBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000536840699 1046813381 /nfs/dbraw/zinc/81/33/81/1046813381.db2.gz UEAIISVZXVOBKL-LBPRGKRZSA-N 1 0 336.338 4.090 20 5 EIBDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000536838022 1046813495 /nfs/dbraw/zinc/81/34/95/1046813495.db2.gz IGTWQPJAUOORHK-LBPRGKRZSA-N 1 0 332.350 4.255 20 5 EIBDRO COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000536842305 1046815126 /nfs/dbraw/zinc/81/51/26/1046815126.db2.gz XTYDISDCPIINPH-LSDHHAIUSA-N 1 0 328.412 4.133 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000786819938 1046875906 /nfs/dbraw/zinc/87/59/06/1046875906.db2.gz GAGMNGLTCCVYKR-HMWXGYMHSA-N 1 0 343.452 4.430 20 5 EIBDRO Cc1cc(N[C@@H](C)Cc2ccccc2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000459760359 1046876282 /nfs/dbraw/zinc/87/62/82/1046876282.db2.gz MIOBBDHIVOVQQR-HNNXBMFYSA-N 1 0 327.428 4.008 20 5 EIBDRO CC(C)(C)[C@H]([NH2+]Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000917432696 1046887235 /nfs/dbraw/zinc/88/72/35/1046887235.db2.gz PJJOEILUTLPWSR-GOSISDBHSA-N 1 0 338.411 4.279 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC1 ZINC000459802087 1046893665 /nfs/dbraw/zinc/89/36/65/1046893665.db2.gz LZJIAXIAOVSMGJ-LRDDRELGSA-N 1 0 344.415 4.264 20 5 EIBDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788003577 1047078432 /nfs/dbraw/zinc/07/84/32/1047078432.db2.gz DIMOFPQUSLJLMZ-QGZVFWFLSA-N 1 0 348.830 4.098 20 5 EIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](C)c1cccc(OC)c1 ZINC000788478404 1047198105 /nfs/dbraw/zinc/19/81/05/1047198105.db2.gz JSAWKQRFNISUQJ-ZDUSSCGKSA-N 1 0 332.375 4.326 20 5 EIBDRO COc1ccc([C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000788504326 1047207567 /nfs/dbraw/zinc/20/75/67/1047207567.db2.gz HJBOQENITOIRCB-YJYMSZOUSA-N 1 0 343.427 4.234 20 5 EIBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](O)c1ccccc1 ZINC000788535092 1047232150 /nfs/dbraw/zinc/23/21/50/1047232150.db2.gz CDPOMXUZQLMFBL-QZTJIDSGSA-N 1 0 348.830 4.096 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc(-c2cccnc2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788610846 1047234739 /nfs/dbraw/zinc/23/47/39/1047234739.db2.gz MGNHBKXHUXJERV-CQSZACIVSA-N 1 0 348.406 4.090 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000788601387 1047243884 /nfs/dbraw/zinc/24/38/84/1047243884.db2.gz JEXZXYZOEXOBES-HWPZZCPQSA-N 1 0 335.354 4.257 20 5 EIBDRO CC(C)[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000788621157 1047252214 /nfs/dbraw/zinc/25/22/14/1047252214.db2.gz KWXOCCHCVUZKFO-JVPBZIDWSA-N 1 0 328.412 4.004 20 5 EIBDRO CC[C@H]([NH2+][C@H](C(C)C)[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000788625261 1047253555 /nfs/dbraw/zinc/25/35/55/1047253555.db2.gz ZPSXIJOHWXMGDJ-ZCNNSNEGSA-N 1 0 342.439 4.394 20 5 EIBDRO CC[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000152542613 1047259615 /nfs/dbraw/zinc/25/96/15/1047259615.db2.gz NNMWXLYSGWJLDD-OXQOHEQNSA-N 1 0 339.439 4.162 20 5 EIBDRO CSc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788814896 1047316847 /nfs/dbraw/zinc/31/68/47/1047316847.db2.gz NOUCEFHQTYLCPR-VXGBXAGGSA-N 1 0 331.441 4.311 20 5 EIBDRO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000788825207 1047320478 /nfs/dbraw/zinc/32/04/78/1047320478.db2.gz WWUNILPGEDNAFP-KZULUSFZSA-N 1 0 331.391 4.364 20 5 EIBDRO C[C@@](O)(C[NH2+]Cc1c2ccccc2cc2ccccc21)C(F)(F)F ZINC000760451636 1047377911 /nfs/dbraw/zinc/37/79/11/1047377911.db2.gz OWFNJMYLUVFAEG-GOSISDBHSA-N 1 0 333.353 4.396 20 5 EIBDRO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000609280933 1047475829 /nfs/dbraw/zinc/47/58/29/1047475829.db2.gz WXGMMIKGMMHSBS-SFHVURJKSA-N 1 0 326.396 4.331 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1OCC ZINC000194721392 1047605853 /nfs/dbraw/zinc/60/58/53/1047605853.db2.gz MZMNRYLKRBIQLU-CQSZACIVSA-N 1 0 344.411 4.243 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000556546004 1047814770 /nfs/dbraw/zinc/81/47/70/1047814770.db2.gz WQOGXHFLLDCXGE-UHFFFAOYSA-N 1 0 334.803 4.282 20 5 EIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCCC1(F)F ZINC000824799730 1047950021 /nfs/dbraw/zinc/95/00/21/1047950021.db2.gz QPHIZKQMMXEHGT-SECBINFHSA-N 1 0 339.169 4.427 20 5 EIBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H](O)c1ccccc1 ZINC000808721194 1048068218 /nfs/dbraw/zinc/06/82/18/1048068218.db2.gz JGURAIHAAJCEOH-FASAQXTFSA-N 1 0 340.423 4.029 20 5 EIBDRO CC[N+](C)(C)Cc1ccccc1N[C@H](C)c1cccc(C(=O)OC)c1 ZINC001171106636 1048198371 /nfs/dbraw/zinc/19/83/71/1048198371.db2.gz NYHZYPHVYZOTDR-MRXNPFEDSA-N 1 0 341.475 4.243 20 5 EIBDRO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815561084 1048509463 /nfs/dbraw/zinc/50/94/63/1048509463.db2.gz XXTLVZNTOAYRDH-KBPBESRZSA-N 1 0 343.427 4.376 20 5 EIBDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815575642 1048517653 /nfs/dbraw/zinc/51/76/53/1048517653.db2.gz WWMWBBFFTGRABO-YJYMSZOUSA-N 1 0 325.412 4.369 20 5 EIBDRO C[C@H]([NH2+]C1(c2ccc(Cl)cc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815605619 1048557000 /nfs/dbraw/zinc/55/70/00/1048557000.db2.gz ZXFWRMVEOOBXMP-NSHDSACASA-N 1 0 331.803 4.170 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001170594245 1048583629 /nfs/dbraw/zinc/58/36/29/1048583629.db2.gz RZVSYCIPXREJKA-BBRMVZONSA-N 1 0 346.814 4.463 20 5 EIBDRO COc1cccc(C2(C[NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)c1 ZINC000810156971 1048662252 /nfs/dbraw/zinc/66/22/52/1048662252.db2.gz BJSYHBRYSRETMM-UHFFFAOYSA-N 1 0 346.814 4.078 20 5 EIBDRO O[C@]1(CC[NH2+]Cc2c3ccccc3cc3ccccc32)CCCOC1 ZINC000846111585 1048814342 /nfs/dbraw/zinc/81/43/42/1048814342.db2.gz UIEMKEJWCBFARA-QFIPXVFZSA-N 1 0 335.447 4.014 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@@]4(CC4(F)F)C3)o2)c1 ZINC000846106409 1048823700 /nfs/dbraw/zinc/82/37/00/1048823700.db2.gz AZJRBIVDCZBXDX-QGZVFWFLSA-N 1 0 348.349 4.476 20 5 EIBDRO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001171266616 1049002923 /nfs/dbraw/zinc/00/29/23/1049002923.db2.gz IUFTXCIKZHACQU-IBGZPJMESA-N 1 0 340.423 4.242 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 ZINC000811471826 1049094015 /nfs/dbraw/zinc/09/40/15/1049094015.db2.gz LGSQTYNUETWEMK-UHFFFAOYSA-N 1 0 325.195 4.500 20 5 EIBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000609704317 1049274734 /nfs/dbraw/zinc/27/47/34/1049274734.db2.gz MMBWKNBOBLFBBO-ZDUSSCGKSA-N 1 0 331.441 4.294 20 5 EIBDRO COc1ccc(C[NH+]2CCC(c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000609895226 1049387209 /nfs/dbraw/zinc/38/72/09/1049387209.db2.gz FWDFEEYDUCXZRJ-UHFFFAOYSA-N 1 0 344.386 4.122 20 5 EIBDRO C[C@@H]1C[C@H](N(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000609964760 1049422285 /nfs/dbraw/zinc/42/22/85/1049422285.db2.gz CRZSZTJZKADTMR-SJLPKXTDSA-N 1 0 339.439 4.084 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCCNc2ccccc21 ZINC000348120467 1049430208 /nfs/dbraw/zinc/43/02/08/1049430208.db2.gz QYIWBHWRBFFGPN-KRWDZBQOSA-N 1 0 345.830 4.327 20 5 EIBDRO Cc1cc(NC2CC[NH+](CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000195666112 1049477802 /nfs/dbraw/zinc/47/78/02/1049477802.db2.gz IVGYHTOWGVEQJD-UHFFFAOYSA-N 1 0 339.439 4.022 20 5 EIBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812850822 1049610622 /nfs/dbraw/zinc/61/06/22/1049610622.db2.gz VTCZMWPHNPFREY-UGSOOPFHSA-N 1 0 348.830 4.192 20 5 EIBDRO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)[C@H](O)c1ccccc1 ZINC000812849686 1049611922 /nfs/dbraw/zinc/61/19/22/1049611922.db2.gz RFAHPSYOPDTLGW-UGSOOPFHSA-N 1 0 348.830 4.192 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccc(F)cc1F ZINC000615723995 1049766909 /nfs/dbraw/zinc/76/69/09/1049766909.db2.gz CZXRAGMXXCERJN-UKTHLTGXSA-N 1 0 332.350 4.109 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCc1cccc(Cl)c1)CC2 ZINC001172897838 1050202641 /nfs/dbraw/zinc/20/26/41/1050202641.db2.gz CEKZAQUUTCCLDJ-GOSISDBHSA-N 1 0 344.842 4.328 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccccc1Cl)CC2 ZINC001172899054 1050202912 /nfs/dbraw/zinc/20/29/12/1050202912.db2.gz SQPXSOLLNUVNBP-INIZCTEOSA-N 1 0 330.815 4.285 20 5 EIBDRO CC(C)c1ncc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)s1 ZINC001172903399 1050204819 /nfs/dbraw/zinc/20/48/19/1050204819.db2.gz QVANAZGTCWRMEG-OAHLLOKOSA-N 1 0 345.468 4.212 20 5 EIBDRO CC(C)CC1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCOCC1 ZINC001172903807 1050204920 /nfs/dbraw/zinc/20/49/20/1050204920.db2.gz JGZXWRAVFLPIOM-SFHVURJKSA-N 1 0 346.471 4.027 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc3ccoc3c1)CC2 ZINC001172901753 1050204938 /nfs/dbraw/zinc/20/49/38/1050204938.db2.gz KLZDAQIBBQOHFP-SFHVURJKSA-N 1 0 336.391 4.378 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccc(F)cc1F ZINC001172900737 1050204951 /nfs/dbraw/zinc/20/49/51/1050204951.db2.gz YWXHHPKHZYZTIW-LRDDRELGSA-N 1 0 346.377 4.471 20 5 EIBDRO COC1CCC(CC[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172902996 1050205206 /nfs/dbraw/zinc/20/52/06/1050205206.db2.gz OHMLEIHCFRSFKK-VDUSKEEQSA-N 1 0 346.471 4.027 20 5 EIBDRO Cc1ccc(CCC[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)s1 ZINC001172896101 1050232010 /nfs/dbraw/zinc/23/20/10/1050232010.db2.gz LQVIUUSWJYQDNQ-QGZVFWFLSA-N 1 0 344.480 4.435 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC3(CC[C@@H](F)C3)CC1)CC2 ZINC001172919119 1050234660 /nfs/dbraw/zinc/23/46/60/1050234660.db2.gz DPFJLFJYZBEONL-QZTJIDSGSA-N 1 0 346.446 4.446 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1C[C@H]1c1ccc(F)cc1)CC2 ZINC001172913096 1050247322 /nfs/dbraw/zinc/24/73/22/1050247322.db2.gz TYQRVMBPOBPCRO-HOJAQTOUSA-N 1 0 340.398 4.127 20 5 EIBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)c1ccccc1 ZINC000181785300 1050331178 /nfs/dbraw/zinc/33/11/78/1050331178.db2.gz WWKKDEPTIIGXRL-ZDUSSCGKSA-N 1 0 339.395 4.192 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cccc(C)c2C)c1F ZINC001173177251 1050335062 /nfs/dbraw/zinc/33/50/62/1050335062.db2.gz SBKDJWKSRQSRDX-ZDUSSCGKSA-N 1 0 346.402 4.080 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccc(C)cc2C)c1F ZINC001173178045 1050335784 /nfs/dbraw/zinc/33/57/84/1050335784.db2.gz ZMHAXVNDSSGDQL-CQSZACIVSA-N 1 0 346.402 4.080 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCCC2CCCC2)c1F ZINC001173190184 1050337190 /nfs/dbraw/zinc/33/71/90/1050337190.db2.gz VGBYSTMFYLRZJN-CYBMUJFWSA-N 1 0 338.423 4.234 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C(C)(C)CC2CCC2)c1F ZINC001173180466 1050337315 /nfs/dbraw/zinc/33/73/15/1050337315.db2.gz QXDCPZOJJUXFPP-GFCCVEGCSA-N 1 0 338.423 4.232 20 5 EIBDRO C[C@@H]([NH3+])Cc1cn([C@H](C)Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC001173219863 1050352245 /nfs/dbraw/zinc/35/22/45/1050352245.db2.gz PXBGPUOUPWUWPX-HUUCEWRRSA-N 1 0 337.423 4.243 20 5 EIBDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220344 1050353495 /nfs/dbraw/zinc/35/34/95/1050353495.db2.gz YMSUNOQPMHGWQJ-ZIAGYGMSSA-N 1 0 332.831 4.400 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cccc(Cl)c1F ZINC001173223228 1050354275 /nfs/dbraw/zinc/35/42/75/1050354275.db2.gz HGZBUHJQXCCYBD-GFCCVEGCSA-N 1 0 336.794 4.151 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1cccc(F)c1)C1CC1 ZINC001173223634 1050354444 /nfs/dbraw/zinc/35/44/44/1050354444.db2.gz JMHUGYXFYUMJMC-ORAYPTAESA-N 1 0 328.387 4.406 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001173224258 1050354813 /nfs/dbraw/zinc/35/48/13/1050354813.db2.gz DEYSGIJFEMRGAI-NXOUGTEYSA-N 1 0 330.815 4.325 20 5 EIBDRO COc1cccc(C2([NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC001173221442 1050355490 /nfs/dbraw/zinc/35/54/90/1050355490.db2.gz NGYAMMJOTIVNDM-HNNXBMFYSA-N 1 0 340.423 4.203 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC001173232694 1050358578 /nfs/dbraw/zinc/35/85/78/1050358578.db2.gz HDMAFBPUABBXFR-ZDUSSCGKSA-N 1 0 330.815 4.238 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001173231750 1050360264 /nfs/dbraw/zinc/36/02/64/1050360264.db2.gz CWUNUTPISLMGRX-YOEHRIQHSA-N 1 0 328.387 4.154 20 5 EIBDRO COc1ccc([C@@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC001173235334 1050361351 /nfs/dbraw/zinc/36/13/51/1050361351.db2.gz SJLNXCHEMDKEQF-VLIAUNLRSA-N 1 0 340.423 4.275 20 5 EIBDRO Cc1ccc2c(c1)c(CC[NH3+])cn2[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173209436 1050371467 /nfs/dbraw/zinc/37/14/67/1050371467.db2.gz BVBRADUVOXLRDB-OAHLLOKOSA-N 1 0 337.423 4.163 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC001173213702 1050373149 /nfs/dbraw/zinc/37/31/49/1050373149.db2.gz KDUYXVLFZOPDPT-XGNXJENSSA-N 1 0 330.350 4.237 20 5 EIBDRO CC(C)Oc1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173213939 1050374113 /nfs/dbraw/zinc/37/41/13/1050374113.db2.gz MDMSSNALALWMOP-OAHLLOKOSA-N 1 0 328.412 4.103 20 5 EIBDRO CC(C)(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCCO1 ZINC000618572079 1050413944 /nfs/dbraw/zinc/41/39/44/1050413944.db2.gz TZMNYQOSPCYSPJ-QZTJIDSGSA-N 1 0 332.444 4.157 20 5 EIBDRO CCC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000618568158 1050415671 /nfs/dbraw/zinc/41/56/71/1050415671.db2.gz SYHCKTLOMDSUIW-HKUYNNGSSA-N 1 0 325.412 4.498 20 5 EIBDRO CCCOc1cccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC001178237307 1050421412 /nfs/dbraw/zinc/42/14/12/1050421412.db2.gz CGQYJVOKWPFAQT-UHFFFAOYSA-N 1 0 328.412 4.024 20 5 EIBDRO Cc1ccc(C[NH2+][C@@H]2CCCOc3c(F)cccc32)cc1[N+](=O)[O-] ZINC001178347599 1050441470 /nfs/dbraw/zinc/44/14/70/1050441470.db2.gz ZAXOAEHSXXTCOZ-MRXNPFEDSA-N 1 0 330.359 4.046 20 5 EIBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001187034174 1050474188 /nfs/dbraw/zinc/47/41/88/1050474188.db2.gz HHPJENHBHXKXRB-GFCCVEGCSA-N 1 0 345.365 4.146 20 5 EIBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001187034175 1050474454 /nfs/dbraw/zinc/47/44/54/1050474454.db2.gz HHPJENHBHXKXRB-LBPRGKRZSA-N 1 0 345.365 4.146 20 5 EIBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC001178605550 1050516235 /nfs/dbraw/zinc/51/62/35/1050516235.db2.gz JZAKTOYIZFWCLP-UHFFFAOYSA-N 1 0 341.798 4.129 20 5 EIBDRO CO[C@@](C)(C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccccc1 ZINC001178763027 1050548253 /nfs/dbraw/zinc/54/82/53/1050548253.db2.gz XXLDVUKTIFZZCC-FQEVSTJZSA-N 1 0 342.439 4.370 20 5 EIBDRO CCC[C@H]1CCCC[C@@H]1C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC001178954924 1050596647 /nfs/dbraw/zinc/59/66/47/1050596647.db2.gz WUJOHBRZDPIPHO-UONOGXRCSA-N 1 0 336.432 4.005 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](CC)CC(F)(F)F ZINC001178966574 1050599818 /nfs/dbraw/zinc/59/98/18/1050599818.db2.gz GKLSVMDBZFEUJR-NSHDSACASA-N 1 0 334.338 4.062 20 5 EIBDRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618984240 1050612082 /nfs/dbraw/zinc/61/20/82/1050612082.db2.gz ALLLLDVHVUISSR-QLJPJBMISA-N 1 0 329.400 4.273 20 5 EIBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001179348302 1050671186 /nfs/dbraw/zinc/67/11/86/1050671186.db2.gz VYLZCTVAIGOXHU-JWXAPSBJSA-N 1 0 346.452 4.225 20 5 EIBDRO C[C@H](C[NH2+]Cc1cccc(OC2CC2)c1F)c1ccccc1[N+](=O)[O-] ZINC001179685152 1050748162 /nfs/dbraw/zinc/74/81/62/1050748162.db2.gz DXZRLBAOQDUAKE-CYBMUJFWSA-N 1 0 344.386 4.168 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2([C@H]3CCCCO3)CC2)o1 ZINC001179662961 1050753156 /nfs/dbraw/zinc/75/31/56/1050753156.db2.gz ZTOJLXNBZFZLIV-GOSISDBHSA-N 1 0 342.395 4.046 20 5 EIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC001179768870 1050766252 /nfs/dbraw/zinc/76/62/52/1050766252.db2.gz ZDQDJVRDQYTCLV-ISTRZQFTSA-N 1 0 342.395 4.142 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC3(CCCCC3)C2)cc1Cl ZINC001180057797 1050868684 /nfs/dbraw/zinc/86/86/84/1050868684.db2.gz IPCTXIUVPGSVTK-UHFFFAOYSA-N 1 0 340.876 4.500 20 5 EIBDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001180071804 1050873571 /nfs/dbraw/zinc/87/35/71/1050873571.db2.gz IBFDUNNFCUQSNL-CHWSQXEVSA-N 1 0 348.390 4.330 20 5 EIBDRO COc1cccc([C@]2(C)CC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC001174583810 1051069015 /nfs/dbraw/zinc/06/90/15/1051069015.db2.gz YLDUXAHCLLTWKX-HXUWFJFHSA-N 1 0 340.423 4.075 20 5 EIBDRO Nc1ccc2cc3ccc(Nc4ccc5c(c4)OCO5)cc3[nH+]c2c1 ZINC001174866362 1051222679 /nfs/dbraw/zinc/22/26/79/1051222679.db2.gz LDNDAMWDPHWRQO-UHFFFAOYSA-N 1 0 329.359 4.443 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC001181446413 1051229169 /nfs/dbraw/zinc/22/91/69/1051229169.db2.gz YKUXFFRMIOOZEO-MLPAPPSSSA-N 1 0 332.350 4.408 20 5 EIBDRO C[C@@]1(c2ccccc2)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001190944794 1051308251 /nfs/dbraw/zinc/30/82/51/1051308251.db2.gz REEDGUOPMRHNCB-HXUWFJFHSA-N 1 0 340.423 4.027 20 5 EIBDRO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000183720054 1051320671 /nfs/dbraw/zinc/32/06/71/1051320671.db2.gz SBFQLVOKMCONPC-AWEZNQCLSA-N 1 0 337.379 4.443 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC001191244097 1051409511 /nfs/dbraw/zinc/40/95/11/1051409511.db2.gz GMWNQUJETVYDFE-FZKQIMNGSA-N 1 0 344.386 4.326 20 5 EIBDRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001191338625 1051423308 /nfs/dbraw/zinc/42/33/08/1051423308.db2.gz APHKVNPZFUQOGG-ZDUSSCGKSA-N 1 0 348.830 4.320 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2cccc3ncccc23)C2CC2)c1 ZINC001191682150 1051505329 /nfs/dbraw/zinc/50/53/29/1051505329.db2.gz NGCKEAUFHJAOMC-UHFFFAOYSA-N 1 0 333.391 4.308 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000156181135 1051505767 /nfs/dbraw/zinc/50/57/67/1051505767.db2.gz LQXJHDHTYZCDBR-AWEZNQCLSA-N 1 0 338.411 4.063 20 5 EIBDRO COc1ccccc1[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001175622991 1051678053 /nfs/dbraw/zinc/67/80/53/1051678053.db2.gz VZHBBNUVGCQNHW-HNNXBMFYSA-N 1 0 346.452 4.435 20 5 EIBDRO CCCCc1ccc([C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C(C)C)cc1 ZINC001192358575 1051700680 /nfs/dbraw/zinc/70/06/80/1051700680.db2.gz LOKNCWOFNBAINU-IBGZPJMESA-N 1 0 344.459 4.121 20 5 EIBDRO CC(C)(C)CC[N@H+](CCc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC001175677732 1051726555 /nfs/dbraw/zinc/72/65/55/1051726555.db2.gz JFJGACMHMIPRLO-UHFFFAOYSA-N 1 0 341.455 4.471 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCCc1ccco1 ZINC001183075719 1051774818 /nfs/dbraw/zinc/77/48/18/1051774818.db2.gz YJKNDEXMCLXUDG-QAPCUYQASA-N 1 0 328.412 4.121 20 5 EIBDRO Cc1c(NC(=O)CC[N@H+]2CCCCC[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC001192653321 1051781091 /nfs/dbraw/zinc/78/10/91/1051781091.db2.gz MZPLYFXKHCDUCG-KRWDZBQOSA-N 1 0 347.459 4.132 20 5 EIBDRO Cc1ccc(C[NH2+]C[C@H](OC(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC001183345121 1051833339 /nfs/dbraw/zinc/83/33/39/1051833339.db2.gz FUXQDUKVOUHRPG-IBGZPJMESA-N 1 0 328.412 4.159 20 5 EIBDRO Cc1c(C[N@H+]2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)cccc1[N+](=O)[O-] ZINC001175927593 1051846150 /nfs/dbraw/zinc/84/61/50/1051846150.db2.gz ZVHUEYJERQEXHN-MRXNPFEDSA-N 1 0 342.443 4.129 20 5 EIBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC001183532141 1051864500 /nfs/dbraw/zinc/86/45/00/1051864500.db2.gz ASCSQRVMRWVAPZ-KBPBESRZSA-N 1 0 339.233 4.026 20 5 EIBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1(c2ccccc2)CC1 ZINC001193422851 1051924537 /nfs/dbraw/zinc/92/45/37/1051924537.db2.gz NWOWATXBEGQFMZ-UHFFFAOYSA-N 1 0 330.815 4.412 20 5 EIBDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001193872954 1052020556 /nfs/dbraw/zinc/02/05/56/1052020556.db2.gz PSIDEVUNQWZESK-MRXNPFEDSA-N 1 0 326.824 4.029 20 5 EIBDRO CC[NH+](CC)Cc1ccc(CNc2cc(C)ccc2[N+](=O)[O-])cc1 ZINC001184665937 1052076612 /nfs/dbraw/zinc/07/66/12/1052076612.db2.gz CSXKCYZTPUUTLR-UHFFFAOYSA-N 1 0 327.428 4.357 20 5 EIBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C12CCCC2 ZINC001194177907 1052095944 /nfs/dbraw/zinc/09/59/44/1052095944.db2.gz ZYUFQGMPOIUVHN-HOTGVXAUSA-N 1 0 338.835 4.076 20 5 EIBDRO CC[NH+](CC)[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)CC(C)C ZINC001184740977 1052098345 /nfs/dbraw/zinc/09/83/45/1052098345.db2.gz YLJBUQFMNVZXLY-CYBMUJFWSA-N 1 0 329.391 4.041 20 5 EIBDRO CCC(CC)[C@H](CNc1ccc(C(C)=O)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001184740588 1052097712 /nfs/dbraw/zinc/09/77/12/1052097712.db2.gz RSLDPCVBBHNCIN-IBGZPJMESA-N 1 0 347.459 4.110 20 5 EIBDRO CC[C@H](CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001184821971 1052113150 /nfs/dbraw/zinc/11/31/50/1052113150.db2.gz ZOMDBNBBIWLXRW-SNVBAGLBSA-N 1 0 332.231 4.188 20 5 EIBDRO CCC[N@@H+]1CC[C@H](CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC001185028745 1052155836 /nfs/dbraw/zinc/15/58/36/1052155836.db2.gz KXUUQNIOCVBKBI-SNVBAGLBSA-N 1 0 332.231 4.045 20 5 EIBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001185037854 1052159466 /nfs/dbraw/zinc/15/94/66/1052159466.db2.gz XMSQSYFEEQPQTM-CZUORRHYSA-N 1 0 345.830 4.496 20 5 EIBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001185088815 1052163590 /nfs/dbraw/zinc/16/35/90/1052163590.db2.gz NZZYKDCHEIHPGC-LBPRGKRZSA-N 1 0 345.365 4.146 20 5 EIBDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774832646 1052180663 /nfs/dbraw/zinc/18/06/63/1052180663.db2.gz KKYBUPNHDOQVDZ-KRWDZBQOSA-N 1 0 341.367 4.149 20 5 EIBDRO O=[N+]([O-])c1cccc2c1ccnc2NCCCCC[NH+]1CCCCC1 ZINC001185387620 1052228509 /nfs/dbraw/zinc/22/85/09/1052228509.db2.gz SADDQCWNLVQTEW-UHFFFAOYSA-N 1 0 342.443 4.211 20 5 EIBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C(C)(C)C[NH+](C)C ZINC001185414639 1052241494 /nfs/dbraw/zinc/24/14/94/1052241494.db2.gz UUQWZGGDQSEUDQ-CQSZACIVSA-N 1 0 342.443 4.045 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](Cc2ccccc2)C2CC2)c(Cl)c1 ZINC001168528711 1052633944 /nfs/dbraw/zinc/63/39/44/1052633944.db2.gz FEKHCXNMCTZDND-GOSISDBHSA-N 1 0 330.815 4.359 20 5 EIBDRO Cc1ccccc1[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083170119 1052842069 /nfs/dbraw/zinc/84/20/69/1052842069.db2.gz VYASSEBZPWNXBX-AWEZNQCLSA-N 1 0 337.379 4.034 20 5 EIBDRO CO[C@@H](C[NH2+]Cc1c2ccccc2cc2ccccc21)[C@@H]1CCOC1 ZINC000850344542 1053123965 /nfs/dbraw/zinc/12/39/65/1053123965.db2.gz MDQJMMJQZKTBNH-GCJKJVERSA-N 1 0 335.447 4.134 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)c1 ZINC000850385368 1053157834 /nfs/dbraw/zinc/15/78/34/1053157834.db2.gz FMMBSNSYYDOGLG-SCLBCKFNSA-N 1 0 345.830 4.144 20 5 EIBDRO COc1cccc(C2([NH2+]Cc3ccc(Cl)c([N+](=O)[O-])c3)CCC2)c1 ZINC000850405408 1053172807 /nfs/dbraw/zinc/17/28/07/1053172807.db2.gz MYOPFMKSTGSHQL-UHFFFAOYSA-N 1 0 346.814 4.426 20 5 EIBDRO Cc1c(C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)cccc1[N+](=O)[O-] ZINC000850464609 1053240595 /nfs/dbraw/zinc/24/05/95/1053240595.db2.gz JVFUHUGFVXZQHV-AWEZNQCLSA-N 1 0 326.396 4.079 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC2SCCS2)c2ccccc2)c1 ZINC000850559464 1053313861 /nfs/dbraw/zinc/31/38/61/1053313861.db2.gz BMPJZSNCZUWMTA-KRWDZBQOSA-N 1 0 346.477 4.080 20 5 EIBDRO CC(C)n1cc2c(n1)[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000764937635 1053387021 /nfs/dbraw/zinc/38/70/21/1053387021.db2.gz DNPJQBCNCOLZQR-CXAGYDPISA-N 1 0 328.416 4.100 20 5 EIBDRO CC[C@H]([NH2+][C@H](C)C[C@H](O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000121029952 1053699623 /nfs/dbraw/zinc/69/96/23/1053699623.db2.gz IWHISRPEYSSYGZ-VMDGZTHMSA-N 1 0 346.402 4.287 20 5 EIBDRO CC(C)(C)OC1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000866449984 1053736843 /nfs/dbraw/zinc/73/68/43/1053736843.db2.gz BKYWYOPCMXHQRD-KVULBXGLSA-N 1 0 332.444 4.298 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000866620986 1053808870 /nfs/dbraw/zinc/80/88/70/1053808870.db2.gz OOVLXGFLAJGQBA-ZIAGYGMSSA-N 1 0 339.395 4.408 20 5 EIBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000866622377 1053810241 /nfs/dbraw/zinc/81/02/41/1053810241.db2.gz MFCLYGBXCAHLNS-NEPJUHHUSA-N 1 0 343.358 4.157 20 5 EIBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@](F)(c3ccccc3)C2)cc1 ZINC001197076389 1053832268 /nfs/dbraw/zinc/83/22/68/1053832268.db2.gz CYIODXOSBHAGSA-IBGZPJMESA-N 1 0 328.387 4.098 20 5 EIBDRO COc1cc(NC2CC[NH+](CC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301335190 1053862767 /nfs/dbraw/zinc/86/27/67/1053862767.db2.gz CSOHXCFPXDJSLR-UHFFFAOYSA-N 1 0 347.459 4.060 20 5 EIBDRO C[N@@H+]1CCC[C@H](CNc2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000301409064 1053871315 /nfs/dbraw/zinc/87/13/15/1053871315.db2.gz IYWFWXVVBBBEIJ-DYVFJYSZSA-N 1 0 331.441 4.151 20 5 EIBDRO Cc1c([C@@H](C)[NH2+]CC2(c3ccccn3)CCC2)cccc1[N+](=O)[O-] ZINC000552338847 1053886022 /nfs/dbraw/zinc/88/60/22/1053886022.db2.gz QZNVMBFOIPBGJN-OAHLLOKOSA-N 1 0 325.412 4.071 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000542665624 1053927230 /nfs/dbraw/zinc/92/72/30/1053927230.db2.gz HTKGTZWIYTVFJY-QGZVFWFLSA-N 1 0 346.814 4.424 20 5 EIBDRO C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC001197658221 1053960264 /nfs/dbraw/zinc/96/02/64/1053960264.db2.gz DXHLFUWIKWMQOO-DNVCBOLYSA-N 1 0 326.396 4.057 20 5 EIBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC001197660391 1053961934 /nfs/dbraw/zinc/96/19/34/1053961934.db2.gz NPUSXRYMCGQCGJ-ACJLOTCBSA-N 1 0 341.367 4.086 20 5 EIBDRO Cc1csc(C[C@H]2CC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC001198084064 1054068920 /nfs/dbraw/zinc/06/89/20/1054068920.db2.gz FRFUFICSFDMOJA-HUUCEWRRSA-N 1 0 345.468 4.294 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(CC3CCCCC3)CC2)c1 ZINC001198210160 1054098264 /nfs/dbraw/zinc/09/82/64/1054098264.db2.gz GGLQNGHKYDWSBI-HXUWFJFHSA-N 1 0 346.471 4.311 20 5 EIBDRO C[C@@H](Nc1ccc(C[NH+](C)C)c(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872060680 1054371137 /nfs/dbraw/zinc/37/11/37/1054371137.db2.gz SLEZLINWGXKKBW-LLVKDONJSA-N 1 0 335.354 4.108 20 5 EIBDRO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872078189 1054380622 /nfs/dbraw/zinc/38/06/22/1054380622.db2.gz FTBWSHSSTZVQEN-ZIAGYGMSSA-N 1 0 331.391 4.191 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000872084756 1054383553 /nfs/dbraw/zinc/38/35/53/1054383553.db2.gz HZVKQHFQUQLLKX-DIFFPNOSSA-N 1 0 344.436 4.360 20 5 EIBDRO Cc1ccc(C(C)(C)C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])nc1 ZINC000858241654 1054444428 /nfs/dbraw/zinc/44/44/28/1054444428.db2.gz BPFPJWFSDVWNBL-UHFFFAOYSA-N 1 0 333.819 4.019 20 5 EIBDRO Cc1ccc(C(C)(C)C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)nc1 ZINC000858242308 1054445763 /nfs/dbraw/zinc/44/57/63/1054445763.db2.gz QXLFTUGSJGNIBJ-UHFFFAOYSA-N 1 0 333.819 4.019 20 5 EIBDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000873183884 1054504490 /nfs/dbraw/zinc/50/44/90/1054504490.db2.gz PCJSNEUHCHLYNW-AWEZNQCLSA-N 1 0 344.411 4.241 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccns1 ZINC000858578653 1054525517 /nfs/dbraw/zinc/52/55/17/1054525517.db2.gz WXZMPFNVSLZAQV-YDHLFZDLSA-N 1 0 331.441 4.113 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC001200942222 1054600613 /nfs/dbraw/zinc/60/06/13/1054600613.db2.gz OAWRDRPPCKLJDU-UHFFFAOYSA-N 1 0 332.444 4.041 20 5 EIBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cc(Cl)sc2Cl)c1 ZINC001201823404 1054925975 /nfs/dbraw/zinc/92/59/75/1054925975.db2.gz ZLYUEPUGFRAMNA-UHFFFAOYSA-N 1 0 331.224 4.295 20 5 EIBDRO CC(C)[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1Cl ZINC000877043284 1055005057 /nfs/dbraw/zinc/00/50/57/1055005057.db2.gz IOBIZNQNIYFJRD-FVKWTLKZSA-N 1 0 348.834 4.135 20 5 EIBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2ccccc2Cl)cc1 ZINC000776278261 1055150141 /nfs/dbraw/zinc/15/01/41/1055150141.db2.gz SRINXRXKZPNFEH-ROUUACIJSA-N 1 0 346.814 4.119 20 5 EIBDRO CC[C@@H](C)[C@H](C)[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000878057913 1055181450 /nfs/dbraw/zinc/18/14/50/1055181450.db2.gz RDQKAGGDKYZORV-OLZOCXBDSA-N 1 0 344.415 4.044 20 5 EIBDRO CC[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000765807735 1055438572 /nfs/dbraw/zinc/43/85/72/1055438572.db2.gz HITKFEBHAGIOCB-QZTJIDSGSA-N 1 0 348.830 4.197 20 5 EIBDRO Cc1ccc([C@H](C)NCc2ncccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000091062124 1055511212 /nfs/dbraw/zinc/51/12/12/1055511212.db2.gz UBIXVVUPDMAPRU-NSHDSACASA-N 1 0 339.317 4.168 20 5 EIBDRO CC(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000765846243 1055854017 /nfs/dbraw/zinc/85/40/17/1055854017.db2.gz WUIWYRQXCGWCNE-KUHUBIRLSA-N 1 0 328.412 4.102 20 5 EIBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273538507 1055921036 /nfs/dbraw/zinc/92/10/36/1055921036.db2.gz SOTFAEKNILFVLU-MJGOQNOKSA-N 1 0 344.386 4.086 20 5 EIBDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000743857873 1059169985 /nfs/dbraw/zinc/16/99/85/1059169985.db2.gz WNXVMOYCUNSKFK-CYBMUJFWSA-N 1 0 348.830 4.320 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCC(c2ccccc2)c2ccccc2)C1 ZINC001168977044 1060549890 /nfs/dbraw/zinc/54/98/90/1060549890.db2.gz HEMBOICLLYZHOV-YLJYHZDGSA-N 1 0 338.451 4.244 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(Oc3ccccc3)cc2)C1 ZINC001168965670 1060557658 /nfs/dbraw/zinc/55/76/58/1060557658.db2.gz BWZMMEXUCGGOPS-QZTJIDSGSA-N 1 0 340.423 4.056 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001168993363 1060568113 /nfs/dbraw/zinc/56/81/13/1060568113.db2.gz MWSOCLHHIWVLPD-KXBFYZLASA-N 1 0 328.387 4.028 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(SC(F)(F)F)cc1 ZINC001169001234 1060569975 /nfs/dbraw/zinc/56/99/75/1060569975.db2.gz DVTOVZFGNDPUGG-NTZNESFSSA-N 1 0 348.390 4.395 20 5 EIBDRO Cc1ccc(C[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc2)cc1 ZINC001168988866 1060584438 /nfs/dbraw/zinc/58/44/38/1060584438.db2.gz UHWMAWGQLXNMQV-GIVPXCGWSA-N 1 0 338.451 4.314 20 5 EIBDRO C[N@H+](Cc1sc2ccccc2c1Cl)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035783 1060588757 /nfs/dbraw/zinc/58/87/57/1060588757.db2.gz CGKHEORLQIZHLI-NEPJUHHUSA-N 1 0 338.860 4.432 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001169036390 1060592598 /nfs/dbraw/zinc/59/25/98/1060592598.db2.gz OANHWEMVBLKEPF-KWCYVHTRSA-N 1 0 343.254 4.228 20 5 EIBDRO CC1(C)CCCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766577095 1060607855 /nfs/dbraw/zinc/60/78/55/1060607855.db2.gz SZEGEOLBVPZTAT-SFHVURJKSA-N 1 0 331.460 4.122 20 5 EIBDRO CC(C)(C)Oc1ccc([C@@H]2CC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)cc1 ZINC001169055819 1060609623 /nfs/dbraw/zinc/60/96/23/1060609623.db2.gz QOGQSFIXGXMLTK-CGTJXYLNSA-N 1 0 346.471 4.099 20 5 EIBDRO CC1(C)C[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001169150663 1060669007 /nfs/dbraw/zinc/66/90/07/1060669007.db2.gz CVEVUMJKQCSHJF-YJYMSZOUSA-N 1 0 342.443 4.099 20 5 EIBDRO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001169282481 1060740636 /nfs/dbraw/zinc/74/06/36/1060740636.db2.gz DFOWQIDSPKFLLZ-SMDDNHRTSA-N 1 0 341.249 4.368 20 5 EIBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001169363562 1060780800 /nfs/dbraw/zinc/78/08/00/1060780800.db2.gz AQKPIGNMTVTYTI-MAUKXSAKSA-N 1 0 328.387 4.235 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000520401950 1032078493 /nfs/dbraw/zinc/07/84/93/1032078493.db2.gz PTZXUYXBNZQTMI-GOSISDBHSA-N 1 0 326.396 4.249 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCOCCc1ccccc1 ZINC000532194654 1032079651 /nfs/dbraw/zinc/07/96/51/1032079651.db2.gz IPOZBJFIFJWWAJ-KRWDZBQOSA-N 1 0 342.439 4.203 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000532227366 1032106640 /nfs/dbraw/zinc/10/66/40/1032106640.db2.gz JBOJINDBQYDIQD-LSDHHAIUSA-N 1 0 326.396 4.120 20 5 EIBDRO CC(C)c1ccc(C[NH2+]Cc2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000533208327 1032541112 /nfs/dbraw/zinc/54/11/12/1032541112.db2.gz QFDRXGBERZFWGL-UHFFFAOYSA-N 1 0 326.396 4.038 20 5 EIBDRO Cc1ccccc1[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)[C@H](C)CO1 ZINC000441436359 1032585831 /nfs/dbraw/zinc/58/58/31/1032585831.db2.gz GQTWKQZNIOIFEW-QRWLVFNGSA-N 1 0 340.423 4.174 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)nc1)c1cccc([N+](=O)[O-])c1 ZINC000126862178 1019211202 /nfs/dbraw/zinc/21/12/02/1019211202.db2.gz ZTHAOJXVXKJVAQ-GOSISDBHSA-N 1 0 342.443 4.077 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000430226136 1019500605 /nfs/dbraw/zinc/50/06/05/1019500605.db2.gz MEMWXPMVXYMSMR-LJQANCHMSA-N 1 0 344.386 4.292 20 5 EIBDRO C[NH2+]Cc1cn(-c2ccc3cccc([N+](=O)[O-])c3n2)c2ccc(C)cc12 ZINC001167123286 1020270495 /nfs/dbraw/zinc/27/04/95/1020270495.db2.gz JXOJVJVHMJASTR-UHFFFAOYSA-N 1 0 346.390 4.115 20 5 EIBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000547832023 1020783623 /nfs/dbraw/zinc/78/36/23/1020783623.db2.gz RYSUHDKJUCVQGC-BBRMVZONSA-N 1 0 344.415 4.093 20 5 EIBDRO Cc1c(C[NH+]2CCC(OCC3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000177490218 1020985681 /nfs/dbraw/zinc/98/56/81/1020985681.db2.gz ZNBWDCRTIAJBGN-UHFFFAOYSA-N 1 0 332.444 4.074 20 5 EIBDRO CCC[C@@]1(C)CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000464843252 1021153604 /nfs/dbraw/zinc/15/36/04/1021153604.db2.gz RULSDUGUFJVZRX-SFHVURJKSA-N 1 0 344.415 4.047 20 5 EIBDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000610345649 1021350204 /nfs/dbraw/zinc/35/02/04/1021350204.db2.gz UHHQSJPVAVEXHI-UKRRQHHQSA-N 1 0 348.468 4.210 20 5 EIBDRO CO[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(C)C ZINC000610395478 1021748863 /nfs/dbraw/zinc/74/88/63/1021748863.db2.gz LTCDRQYZNLMTHQ-INIZCTEOSA-N 1 0 334.441 4.084 20 5 EIBDRO C[C@@]1(c2ccccc2)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001167368106 1021766800 /nfs/dbraw/zinc/76/68/00/1021766800.db2.gz VMJJTXMRZPFDEQ-HXUWFJFHSA-N 1 0 340.423 4.027 20 5 EIBDRO C[C@@H](NCC[C@H](C)[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000379635501 1021846051 /nfs/dbraw/zinc/84/60/51/1021846051.db2.gz WFWVNABPEOQOKJ-DLBZAZTESA-N 1 0 341.455 4.156 20 5 EIBDRO C[C@@H](NCC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000379624337 1021846770 /nfs/dbraw/zinc/84/67/70/1021846770.db2.gz JNFDVRMFDKRYKF-IAGOWNOFSA-N 1 0 341.455 4.156 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000278800919 1021897931 /nfs/dbraw/zinc/89/79/31/1021897931.db2.gz RLAZLWTVVADKQN-UHFFFAOYSA-N 1 0 330.331 4.273 20 5 EIBDRO COc1cc(C[NH2+][C@@H](CC2CC2)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000613383457 1021929135 /nfs/dbraw/zinc/92/91/35/1021929135.db2.gz YIDJJERGWNGVLF-KRWDZBQOSA-N 1 0 344.386 4.374 20 5 EIBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCCCF)cc1[N+](=O)[O-] ZINC000462876864 1022017410 /nfs/dbraw/zinc/01/74/10/1022017410.db2.gz XQQYQPHBDQVHBJ-UHFFFAOYSA-N 1 0 331.391 4.202 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)OCCc3sccc32)cc1[N+](=O)[O-] ZINC000580606027 1022300632 /nfs/dbraw/zinc/30/06/32/1022300632.db2.gz PAONOGTVBAXMLR-SCLBCKFNSA-N 1 0 346.452 4.103 20 5 EIBDRO C[C@@H]1C[C@H](C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000414262829 1022346966 /nfs/dbraw/zinc/34/69/66/1022346966.db2.gz OWRMVJPWHPFUIV-YZDADXEPSA-N 1 0 340.423 4.087 20 5 EIBDRO C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC(F)(F)F ZINC000414287783 1022404169 /nfs/dbraw/zinc/40/41/69/1022404169.db2.gz UPOKSDKWHQCOGR-RISCZKNCSA-N 1 0 330.350 4.094 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cc(F)cc(F)c1 ZINC000468654110 1022618181 /nfs/dbraw/zinc/61/81/81/1022618181.db2.gz SUFPNQMCJSSGGB-NTUHNPAUSA-N 1 0 332.350 4.109 20 5 EIBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000610468808 1022724556 /nfs/dbraw/zinc/72/45/56/1022724556.db2.gz DCQYVBWBFDIFQX-GFCCVEGCSA-N 1 0 325.821 4.025 20 5 EIBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](OCC)C1(C)C ZINC001167443293 1022808947 /nfs/dbraw/zinc/80/89/47/1022808947.db2.gz RMDQIBORKPLOPS-ZWKOTPCHSA-N 1 0 334.460 4.053 20 5 EIBDRO Cc1c(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000181221037 1022898349 /nfs/dbraw/zinc/89/83/49/1022898349.db2.gz KDMWHJDNHUHNFE-QFBILLFUSA-N 1 0 340.423 4.161 20 5 EIBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000610573519 1023217744 /nfs/dbraw/zinc/21/77/44/1023217744.db2.gz NVHGEZBRZXKCPC-ZFWWWQNUSA-N 1 0 331.441 4.121 20 5 EIBDRO Cc1nc(C)c(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000417317955 1023262918 /nfs/dbraw/zinc/26/29/18/1023262918.db2.gz XSSWJCASDYPXDR-MRXNPFEDSA-N 1 0 331.441 4.225 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CC(C(F)(F)F)C1)CCCC2 ZINC000417348701 1023273991 /nfs/dbraw/zinc/27/39/91/1023273991.db2.gz JLBJIIJQKJXLEH-QOZQQMKHSA-N 1 0 328.334 4.293 20 5 EIBDRO Cc1ccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)nc1C ZINC000417384811 1023298815 /nfs/dbraw/zinc/29/88/15/1023298815.db2.gz XMUGALRKZUVBLD-IBGZPJMESA-N 1 0 325.412 4.164 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CSc2ccccc21 ZINC000584850667 1023386251 /nfs/dbraw/zinc/38/62/51/1023386251.db2.gz QCWVTZOJWDIAQY-WBMJQRKESA-N 1 0 326.421 4.061 20 5 EIBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc2ccccc21 ZINC000051121009 1023448116 /nfs/dbraw/zinc/44/81/16/1023448116.db2.gz ATEGYOUCIYHMBL-CYBMUJFWSA-N 1 0 346.390 4.475 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3ccc(F)cc31)CCC2 ZINC000584523292 1023482893 /nfs/dbraw/zinc/48/28/93/1023482893.db2.gz BENITHBFVDLOKZ-MOPGFXCFSA-N 1 0 326.371 4.388 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)c1cccc(NC(C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000120288325 1023586155 /nfs/dbraw/zinc/58/61/55/1023586155.db2.gz PAWBWCILWMMRMI-BFUOFWGJSA-N 1 0 341.411 4.355 20 5 EIBDRO C[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000541557318 1023676138 /nfs/dbraw/zinc/67/61/38/1023676138.db2.gz DMOUOXQMZZYLOX-UONOGXRCSA-N 1 0 346.452 4.401 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c(Cl)c1 ZINC001167482335 1023695795 /nfs/dbraw/zinc/69/57/95/1023695795.db2.gz JHWPNCVJWRZAMQ-HNNXBMFYSA-N 1 0 330.815 4.313 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000127305921 1023732594 /nfs/dbraw/zinc/73/25/94/1023732594.db2.gz RFDJDSWUMQHHSP-CHWSQXEVSA-N 1 0 328.368 4.044 20 5 EIBDRO O=[N+]([O-])c1ccccc1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000015117542 1023758329 /nfs/dbraw/zinc/75/83/29/1023758329.db2.gz ZOSWLPOFOHQSIG-UHFFFAOYSA-N 1 0 325.412 4.193 20 5 EIBDRO C[N@H+](CCC1CCCCC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000101566027 1023758768 /nfs/dbraw/zinc/75/87/68/1023758768.db2.gz RZPKYGUPALXCNO-UHFFFAOYSA-N 1 0 344.415 4.047 20 5 EIBDRO CCC[NH+]1CCC(N(C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000510470402 1023785060 /nfs/dbraw/zinc/78/50/60/1023785060.db2.gz VZQUANCPHNKTIS-UHFFFAOYSA-N 1 0 333.476 4.024 20 5 EIBDRO COCC1=CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000187621881 1023901710 /nfs/dbraw/zinc/90/17/10/1023901710.db2.gz MPNHGLKNVONHLD-UHFFFAOYSA-N 1 0 344.436 4.102 20 5 EIBDRO C[C@H]([NH2+]CC1(C)COC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000164353121 1024070294 /nfs/dbraw/zinc/07/02/94/1024070294.db2.gz XBPZGELUVANJJI-LBPRGKRZSA-N 1 0 332.425 4.010 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000128489979 1024073295 /nfs/dbraw/zinc/07/32/95/1024073295.db2.gz MXAMGTNFAPZVKK-KBPBESRZSA-N 1 0 344.411 4.332 20 5 EIBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](CC1CCCCC1)c1ccccc1 ZINC000341636484 1024073714 /nfs/dbraw/zinc/07/37/14/1024073714.db2.gz INSDHJURRJCCJA-KRWDZBQOSA-N 1 0 342.443 4.130 20 5 EIBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCc2ccccc21 ZINC000610580825 1024108665 /nfs/dbraw/zinc/10/86/65/1024108665.db2.gz NUNVGFKICNPFBW-QGZVFWFLSA-N 1 0 337.379 4.245 20 5 EIBDRO C[C@H](CCc1c(F)cccc1F)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000510665363 1024199731 /nfs/dbraw/zinc/19/97/31/1024199731.db2.gz NQPHXJPOGLAAHO-CYBMUJFWSA-N 1 0 334.366 4.026 20 5 EIBDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000178356661 1024313155 /nfs/dbraw/zinc/31/31/55/1024313155.db2.gz ZFYBKIKWDCMFGZ-ZIAGYGMSSA-N 1 0 344.411 4.332 20 5 EIBDRO CO[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000610783473 1024847909 /nfs/dbraw/zinc/84/79/09/1024847909.db2.gz XQRFNNJTNLNFIL-SJKOYZFVSA-N 1 0 334.803 4.287 20 5 EIBDRO CCOc1cc(C[NH2+][C@H](c2ncccc2C)C(C)C)ccc1[N+](=O)[O-] ZINC000276976164 1024849973 /nfs/dbraw/zinc/84/99/73/1024849973.db2.gz XTOJKYXWHWWZLC-SFHVURJKSA-N 1 0 343.427 4.184 20 5 EIBDRO C[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000093920708 1024940813 /nfs/dbraw/zinc/94/08/13/1024940813.db2.gz PVWRTXKTGNCVSN-JEYLPNPQSA-N 1 0 348.443 4.146 20 5 EIBDRO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000610804224 1024986853 /nfs/dbraw/zinc/98/68/53/1024986853.db2.gz YCVNTGDFDXTOEU-ZIAGYGMSSA-N 1 0 345.468 4.068 20 5 EIBDRO C[C@@H]([NH2+]CC1(O)CCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000610817509 1025053455 /nfs/dbraw/zinc/05/34/55/1025053455.db2.gz UBOJRTDPEUVNRW-CYBMUJFWSA-N 1 0 346.452 4.279 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCCNc3ccccc32)c1 ZINC000278900557 1025381630 /nfs/dbraw/zinc/38/16/30/1025381630.db2.gz ZGMNRCBLJMAXCU-QGZVFWFLSA-N 1 0 331.803 4.285 20 5 EIBDRO Cc1ncsc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000105494155 1025387255 /nfs/dbraw/zinc/38/72/55/1025387255.db2.gz BJCRPGHFZUNRQM-UHFFFAOYSA-N 1 0 345.449 4.378 20 5 EIBDRO COCC[C@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482006843 1025389898 /nfs/dbraw/zinc/38/98/98/1025389898.db2.gz ILXGCXMERNBQBI-QWHCGFSZSA-N 1 0 334.441 4.399 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1c(CC)noc1CC)c1cccc([N+](=O)[O-])c1 ZINC000166969154 1025893913 /nfs/dbraw/zinc/89/39/13/1025893913.db2.gz CROVCSCRRISBMB-QGZVFWFLSA-N 1 0 331.416 4.339 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000539251616 1025898534 /nfs/dbraw/zinc/89/85/34/1025898534.db2.gz XSWSFDSNAQROLR-GOSISDBHSA-N 1 0 328.412 4.480 20 5 EIBDRO CO[C@@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000511068308 1026102474 /nfs/dbraw/zinc/10/24/74/1026102474.db2.gz ZJENGMYDZGQPNI-SFHVURJKSA-N 1 0 348.830 4.110 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C2CC2)cc1F ZINC000571416472 1026200066 /nfs/dbraw/zinc/20/00/66/1026200066.db2.gz JRTMTQZHCQZBJF-SFHVURJKSA-N 1 0 326.371 4.388 20 5 EIBDRO COC1(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC1 ZINC000550239063 1026393155 /nfs/dbraw/zinc/39/31/55/1026393155.db2.gz MONOWDIZYNHLBN-UHFFFAOYSA-N 1 0 346.452 4.372 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCc3occc32)cc(C(F)(F)F)c1 ZINC000279414821 1026422203 /nfs/dbraw/zinc/42/22/03/1026422203.db2.gz FEDHZPWSWSUBGY-CQSZACIVSA-N 1 0 340.301 4.374 20 5 EIBDRO COc1cc(F)c([C@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000266502839 1026453548 /nfs/dbraw/zinc/45/35/48/1026453548.db2.gz VWDNXCKITRPDKF-NEPJUHHUSA-N 1 0 348.374 4.163 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000540753943 1026479470 /nfs/dbraw/zinc/47/94/70/1026479470.db2.gz STYKFZHABZBQAJ-CQSZACIVSA-N 1 0 328.387 4.334 20 5 EIBDRO CN(Cc1ccc(F)c(C(F)(F)F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000507152533 1026673920 /nfs/dbraw/zinc/67/39/20/1026673920.db2.gz VRUMKYJGBHLOOQ-UHFFFAOYSA-N 1 0 342.292 4.385 20 5 EIBDRO COc1ccc2cc(C[N@H+](C)Cc3cccc([N+](=O)[O-])c3)ccc2c1 ZINC000015370241 1026710545 /nfs/dbraw/zinc/71/05/45/1026710545.db2.gz UQZZYRAWDUCLBY-UHFFFAOYSA-N 1 0 336.391 4.389 20 5 EIBDRO C[C@@H](NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467869731 1026736904 /nfs/dbraw/zinc/73/69/04/1026736904.db2.gz VTRPIFVXDAKBCV-CVEARBPZSA-N 1 0 341.455 4.375 20 5 EIBDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000479480012 1026822960 /nfs/dbraw/zinc/82/29/60/1026822960.db2.gz MUCIJLJMGLGOGB-QFBILLFUSA-N 1 0 342.439 4.283 20 5 EIBDRO C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000480071924 1026962964 /nfs/dbraw/zinc/96/29/64/1026962964.db2.gz QDIUVLFPIFKTPX-UGSOOPFHSA-N 1 0 347.846 4.202 20 5 EIBDRO C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000480071923 1026963018 /nfs/dbraw/zinc/96/30/18/1026963018.db2.gz QDIUVLFPIFKTPX-SCLBCKFNSA-N 1 0 347.846 4.202 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000519776621 1026994236 /nfs/dbraw/zinc/99/42/36/1026994236.db2.gz LXZUFNRRGBBDHR-ULFGMLNVSA-N 1 0 346.814 4.429 20 5 EIBDRO Cc1c(CN2CCSC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000522468695 1027454235 /nfs/dbraw/zinc/45/42/35/1027454235.db2.gz RUMGSCMHWOPXAM-GOSISDBHSA-N 1 0 328.437 4.193 20 5 EIBDRO CCOC(=O)C1(C)CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000474811333 1027519810 /nfs/dbraw/zinc/51/98/10/1027519810.db2.gz OKRCXVYLTHBDSO-ICXUMSERSA-N 1 0 348.443 4.066 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000178729938 1027774057 /nfs/dbraw/zinc/77/40/57/1027774057.db2.gz BFQZGPQZDURQPL-AWEZNQCLSA-N 1 0 344.411 4.241 20 5 EIBDRO Cc1cc(NC2CC[NH+](C(C)(C)C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302015199 1027820081 /nfs/dbraw/zinc/82/00/81/1027820081.db2.gz LKRCPHYDUFJIHF-UHFFFAOYSA-N 1 0 342.443 4.126 20 5 EIBDRO Cc1c(C[NH+]2CCC(Cc3ccccc3F)CC2)cccc1[N+](=O)[O-] ZINC001167648355 1027852494 /nfs/dbraw/zinc/85/24/94/1027852494.db2.gz TYYVQNYXMCKFGX-UHFFFAOYSA-N 1 0 342.414 4.497 20 5 EIBDRO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCCC[C@H]1C ZINC000444674944 1027955310 /nfs/dbraw/zinc/95/53/10/1027955310.db2.gz KZNCXFNLAAKULX-CZUORRHYSA-N 1 0 344.415 4.045 20 5 EIBDRO C[N@H+](CCCOc1ccccc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522536521 1027979779 /nfs/dbraw/zinc/97/97/79/1027979779.db2.gz UDVROGUVNQIYST-UHFFFAOYSA-N 1 0 334.803 4.149 20 5 EIBDRO CC1CCC([N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]2CCCO2)CC1 ZINC000441447103 1027998968 /nfs/dbraw/zinc/99/89/68/1027998968.db2.gz MJUNWNLQFRDBDQ-GXOAENINSA-N 1 0 332.444 4.155 20 5 EIBDRO CC1CCC([N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]2CCCO2)CC1 ZINC000441447105 1028000515 /nfs/dbraw/zinc/00/05/15/1028000515.db2.gz MJUNWNLQFRDBDQ-KVWWFHCMSA-N 1 0 332.444 4.155 20 5 EIBDRO CC(C)Cn1cc[nH+]c1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000508505764 1028008664 /nfs/dbraw/zinc/00/86/64/1028008664.db2.gz QOBCWYHFUFRQNE-UHFFFAOYSA-N 1 0 340.383 4.319 20 5 EIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000044290035 1028079878 /nfs/dbraw/zinc/07/98/78/1028079878.db2.gz UFQJHRXYTLFRAP-NSHDSACASA-N 1 0 335.201 4.208 20 5 EIBDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000523442074 1028119299 /nfs/dbraw/zinc/11/92/99/1028119299.db2.gz KDEPVSHEBMZMJP-DLBZAZTESA-N 1 0 340.423 4.160 20 5 EIBDRO CC(C)(C)Oc1cc(NCC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000444871851 1028161949 /nfs/dbraw/zinc/16/19/49/1028161949.db2.gz KYWDSJSSFGROGI-UHFFFAOYSA-N 1 0 347.459 4.058 20 5 EIBDRO CCOC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC000473984622 1028199559 /nfs/dbraw/zinc/19/95/59/1028199559.db2.gz BMDRHHBIQSEFNO-MRXNPFEDSA-N 1 0 332.400 4.006 20 5 EIBDRO CC(C)(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000522717086 1028727957 /nfs/dbraw/zinc/72/79/57/1028727957.db2.gz HYGTYTRDEPRNDB-CYBMUJFWSA-N 1 0 348.468 4.210 20 5 EIBDRO CCC[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000583491980 1028808891 /nfs/dbraw/zinc/80/88/91/1028808891.db2.gz KQHKPMNEPZUISQ-CRAIPNDOSA-N 1 0 326.396 4.202 20 5 EIBDRO CC(C)COc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000324317765 1029055274 /nfs/dbraw/zinc/05/52/74/1029055274.db2.gz GRFRVBQEFFFQDV-HNNXBMFYSA-N 1 0 328.412 4.480 20 5 EIBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000445996899 1029064380 /nfs/dbraw/zinc/06/43/80/1029064380.db2.gz SULVLRLHKSXNKT-IAGOWNOFSA-N 1 0 326.396 4.029 20 5 EIBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000446000743 1029067279 /nfs/dbraw/zinc/06/72/79/1029067279.db2.gz GOWLPYZCFFRMBU-DOTOQJQBSA-N 1 0 344.386 4.168 20 5 EIBDRO CCCC[C@H](COC)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000522961914 1029134394 /nfs/dbraw/zinc/13/43/94/1029134394.db2.gz LWMMXFCDHJMJKH-OAHLLOKOSA-N 1 0 332.400 4.150 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(n2)CCCC3)cc1[N+](=O)[O-] ZINC000278446440 1029246727 /nfs/dbraw/zinc/24/67/27/1029246727.db2.gz LAOLAMUIDPUEJB-AWEZNQCLSA-N 1 0 325.412 4.028 20 5 EIBDRO CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000524885588 1029311153 /nfs/dbraw/zinc/31/11/53/1029311153.db2.gz ZYKSPDMTYNTYRA-LJQANCHMSA-N 1 0 346.427 4.132 20 5 EIBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)c1cccc(OC)c1 ZINC000052706388 1029426342 /nfs/dbraw/zinc/42/63/42/1029426342.db2.gz XLASHQUMAIRMOZ-CQSZACIVSA-N 1 0 344.411 4.195 20 5 EIBDRO Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000168602374 1029454280 /nfs/dbraw/zinc/45/42/80/1029454280.db2.gz UFIAENBUUBUSSR-LBPRGKRZSA-N 1 0 336.338 4.355 20 5 EIBDRO CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000573160203 1029695630 /nfs/dbraw/zinc/69/56/30/1029695630.db2.gz IJNGUCTZWGYSPC-FZKQIMNGSA-N 1 0 342.443 4.445 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000340524079 1029726799 /nfs/dbraw/zinc/72/67/99/1029726799.db2.gz JZHZXJLIXUMWDK-UGSOOPFHSA-N 1 0 326.396 4.337 20 5 EIBDRO CCC[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccn1 ZINC000584343287 1029743493 /nfs/dbraw/zinc/74/34/93/1029743493.db2.gz IQCFKMFDYKRXRT-GOSISDBHSA-N 1 0 338.411 4.145 20 5 EIBDRO COc1cccc(Cl)c1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000480312950 1029831158 /nfs/dbraw/zinc/83/11/58/1029831158.db2.gz XUBBSPGCLHUEOH-ALCCZGGFSA-N 1 0 332.787 4.060 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC(C3CC3)C3CC3)cs2)c1 ZINC000525695986 1029928898 /nfs/dbraw/zinc/92/88/98/1029928898.db2.gz XIZYYHPTJKJONF-UHFFFAOYSA-N 1 0 343.452 4.244 20 5 EIBDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000525758951 1029982420 /nfs/dbraw/zinc/98/24/20/1029982420.db2.gz YXOIOFMHBOYUFJ-UONOGXRCSA-N 1 0 348.468 4.210 20 5 EIBDRO C[C@@H](C1CCCCC1)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000447383076 1030048574 /nfs/dbraw/zinc/04/85/74/1030048574.db2.gz JOLDDQSBUKSBDV-ZDUSSCGKSA-N 1 0 344.415 4.045 20 5 EIBDRO Cc1ccc2c(CC[NH2+]C/C=C\c3ccccc3[N+](=O)[O-])c[nH]c2c1 ZINC000525892342 1030098534 /nfs/dbraw/zinc/09/85/34/1030098534.db2.gz PZDBDZFIEWQPDT-XQRVVYSFSA-N 1 0 335.407 4.230 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1ccc3ccccc3n1)CCC2 ZINC000447530853 1030124297 /nfs/dbraw/zinc/12/42/97/1030124297.db2.gz PJBOGQOHOFYPFH-NRFANRHFSA-N 1 0 347.418 4.353 20 5 EIBDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000447534433 1030137962 /nfs/dbraw/zinc/13/79/62/1030137962.db2.gz XGKGOQFTPZFWNK-YJYMSZOUSA-N 1 0 326.396 4.332 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOc3c(F)cccc31)CCC2 ZINC000447596847 1030199023 /nfs/dbraw/zinc/19/90/23/1030199023.db2.gz CYHUZNSPVFNMMH-ZWKOTPCHSA-N 1 0 342.370 4.225 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1[C@@H]3c4ccccc4C[C@H]13)CCC2 ZINC000447576219 1030202354 /nfs/dbraw/zinc/20/23/54/1030202354.db2.gz XBDZWQIACXUPKM-XRXFAXGQSA-N 1 0 334.419 4.148 20 5 EIBDRO CCC[C@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000447581365 1030209953 /nfs/dbraw/zinc/20/99/53/1030209953.db2.gz SRTPVYHEBRKCKT-IBGZPJMESA-N 1 0 339.439 4.500 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000447581367 1030211253 /nfs/dbraw/zinc/21/12/53/1030211253.db2.gz SRTPVYHEBRKCKT-LJQANCHMSA-N 1 0 339.439 4.500 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)c1cnn(C2CCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000925232828 1030271289 /nfs/dbraw/zinc/27/12/89/1030271289.db2.gz ZGXLYIBVZRXHIC-FZKQIMNGSA-N 1 0 328.416 4.318 20 5 EIBDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000530464063 1030422485 /nfs/dbraw/zinc/42/24/85/1030422485.db2.gz FEKYJMJBAPOGGD-KSSFIOAISA-N 1 0 348.443 4.156 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCC12CCCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451461861 1030513641 /nfs/dbraw/zinc/51/36/41/1030513641.db2.gz VCEAQDIHDNPOPG-SWLSCSKDSA-N 1 0 342.399 4.018 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)c(NC2CC([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000530535716 1030518894 /nfs/dbraw/zinc/51/88/94/1030518894.db2.gz ZUTXUDQEDXPRIT-UHFFFAOYSA-N 1 0 344.242 4.330 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C[C@H](C)O)c1ccccc1 ZINC000532541058 1031253696 /nfs/dbraw/zinc/25/36/96/1031253696.db2.gz IHZVZABJKSBSRI-XYJFISCASA-N 1 0 342.439 4.109 20 5 EIBDRO C[C@@H](C[NH2+]C1CCC(C(F)(F)F)CC1)c1ccccc1[N+](=O)[O-] ZINC000897466027 1031401164 /nfs/dbraw/zinc/40/11/64/1031401164.db2.gz MMMDGTUAIZECPV-HIFPTAJRSA-N 1 0 330.350 4.409 20 5 EIBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000449067970 1031419909 /nfs/dbraw/zinc/41/99/09/1031419909.db2.gz PNTGMIZBOUQVHM-QWHCGFSZSA-N 1 0 332.375 4.024 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ccc(C(F)F)cc3)c2c1 ZINC000516890049 1031510375 /nfs/dbraw/zinc/51/03/75/1031510375.db2.gz OSIMDFRWJVNAHF-UHFFFAOYSA-N 1 0 345.349 4.346 20 5 EIBDRO COCCC1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000449258184 1031572538 /nfs/dbraw/zinc/57/25/38/1031572538.db2.gz OPPJKNMECKODJN-MRXNPFEDSA-N 1 0 334.460 4.102 20 5 EIBDRO CCC[NH+](CCC)CCCc1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000453260175 1031785164 /nfs/dbraw/zinc/78/51/64/1031785164.db2.gz QRZBPOFXAVYSLV-UHFFFAOYSA-N 1 0 346.431 4.008 20 5 EIBDRO Cc1nc(C)c(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000449494317 1031803667 /nfs/dbraw/zinc/80/36/67/1031803667.db2.gz ABZONKVMFVGYAP-OAHLLOKOSA-N 1 0 331.441 4.048 20 5 EIBDRO CCC[C@H]([NH2+]Cc1cnc(OC)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000453283328 1031804805 /nfs/dbraw/zinc/80/48/05/1031804805.db2.gz DZUQYHGPJPFTNZ-INIZCTEOSA-N 1 0 349.818 4.283 20 5 EIBDRO CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H]1C ZINC000449505623 1031814212 /nfs/dbraw/zinc/81/42/12/1031814212.db2.gz RIDOPOUFCBCPDI-CXAGYDPISA-N 1 0 346.452 4.180 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ncccc1C ZINC000453315063 1031841487 /nfs/dbraw/zinc/84/14/87/1031841487.db2.gz UPMRVGIIRSTSQA-HNNXBMFYSA-N 1 0 345.468 4.001 20 5 EIBDRO COc1cccc([C@H]2C[C@H]([NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC000449617319 1031879171 /nfs/dbraw/zinc/87/91/71/1031879171.db2.gz HAZZGNJYXNLHHA-ZTFGCOKTSA-N 1 0 340.423 4.070 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2cccs2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453382219 1031892329 /nfs/dbraw/zinc/89/23/29/1031892329.db2.gz LSZMUPWTHITPOO-NOLJZWGESA-N 1 0 332.425 4.227 20 5 EIBDRO CCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531992211 1031957236 /nfs/dbraw/zinc/95/72/36/1031957236.db2.gz ZCPKJSWJLNJRKS-HNNXBMFYSA-N 1 0 328.412 4.461 20 5 EIBDRO CCCc1ncc(C[NH2+][C@H](CC)CSc2ccccc2[N+](=O)[O-])o1 ZINC000453397691 1031964634 /nfs/dbraw/zinc/96/46/34/1031964634.db2.gz WDLWAVSJGXIBKE-CYBMUJFWSA-N 1 0 349.456 4.196 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(C)cn1 ZINC000453422128 1031978899 /nfs/dbraw/zinc/97/88/99/1031978899.db2.gz LLSAHYNQKAIEEB-HNNXBMFYSA-N 1 0 345.468 4.001 20 5 EIBDRO CC(C)(CO)[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000453581881 1032030355 /nfs/dbraw/zinc/03/03/55/1032030355.db2.gz VKDHKMGSTZMAFZ-JZLODUJNSA-N 1 0 346.452 4.019 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCC2CC(F)(F)C2)o1 ZINC000453591624 1032036364 /nfs/dbraw/zinc/03/63/64/1032036364.db2.gz RKJLUROWBURYOP-UHFFFAOYSA-N 1 0 336.338 4.380 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3(CCO)CCCC3)s2)cc1 ZINC000512562071 1033370770 /nfs/dbraw/zinc/37/07/70/1033370770.db2.gz OZSSWZADUBGGLR-UHFFFAOYSA-N 1 0 346.452 4.108 20 5 EIBDRO COc1cnccc1[C@@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433095170 1033841346 /nfs/dbraw/zinc/84/13/46/1033841346.db2.gz BZVNTRJFHPZLEW-PXAZEXFGSA-N 1 0 341.411 4.072 20 5 EIBDRO CC(C)(O)C(C)(C)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000453381192 1034041954 /nfs/dbraw/zinc/04/19/54/1034041954.db2.gz XGMILBHRGYRTKI-GOSISDBHSA-N 1 0 342.439 4.071 20 5 EIBDRO CC1(C)C[C@H]([NH2+]CCC[C@@H]2CCCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433239814 1034076170 /nfs/dbraw/zinc/07/61/70/1034076170.db2.gz LZDILCONDOPCIW-YJBOKZPZSA-N 1 0 332.444 4.256 20 5 EIBDRO C[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1nccs1 ZINC000433239756 1034077521 /nfs/dbraw/zinc/07/75/21/1034077521.db2.gz LVKYCIUBROXLIX-ABAIWWIYSA-N 1 0 331.441 4.167 20 5 EIBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000512863880 1034077795 /nfs/dbraw/zinc/07/77/95/1034077795.db2.gz HLCNTTHYKMLYLB-ABAIWWIYSA-N 1 0 334.466 4.164 20 5 EIBDRO C[C@H](CCO)C1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000433229780 1034079660 /nfs/dbraw/zinc/07/96/60/1034079660.db2.gz FEPZFTIKHUAGLQ-KDOFPFPSSA-N 1 0 346.471 4.096 20 5 EIBDRO Cc1nc(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)sc1C ZINC000433289544 1034176932 /nfs/dbraw/zinc/17/69/32/1034176932.db2.gz QEKISWAOBDVGRE-MRXNPFEDSA-N 1 0 345.468 4.223 20 5 EIBDRO CCOCCC1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433300299 1034190821 /nfs/dbraw/zinc/19/08/21/1034190821.db2.gz DAONTQXHWUZMRZ-KRWDZBQOSA-N 1 0 332.444 4.114 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C(F)(F)F)CCC1 ZINC000512977476 1034277473 /nfs/dbraw/zinc/27/74/73/1034277473.db2.gz MTYWQWHLRJCQOP-XYOKQWHBSA-N 1 0 328.334 4.320 20 5 EIBDRO C[N@@H+]1CC[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000473518907 1034676076 /nfs/dbraw/zinc/67/60/76/1034676076.db2.gz MYHSLWFUFZJFLR-IEBWSBKVSA-N 1 0 348.406 4.000 20 5 EIBDRO CC[NH+](CC)[C@H](CNc1ccc(F)cc1[N+](=O)[O-])c1ccsc1 ZINC000513170293 1034820357 /nfs/dbraw/zinc/82/03/57/1034820357.db2.gz HAGJPVWIMQEBAG-MRXNPFEDSA-N 1 0 337.420 4.290 20 5 EIBDRO CCc1nccn1[C@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182759780 1034988446 /nfs/dbraw/zinc/98/84/46/1034988446.db2.gz IKHWHUBLGMWKLH-RDJZCZTQSA-N 1 0 342.443 4.060 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC000595013989 1035505747 /nfs/dbraw/zinc/50/57/47/1035505747.db2.gz KWWKWVNIQDJKQS-APPDUMDISA-N 1 0 330.359 4.081 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000595012183 1035506139 /nfs/dbraw/zinc/50/61/39/1035506139.db2.gz FBZGADSSJWXAKZ-ACJLOTCBSA-N 1 0 326.396 4.250 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000594980255 1035513266 /nfs/dbraw/zinc/51/32/66/1035513266.db2.gz NTYOVKBPKFHIQE-GOSISDBHSA-N 1 0 326.396 4.201 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000595031641 1035562608 /nfs/dbraw/zinc/56/26/08/1035562608.db2.gz ASVLPLJXAXBDJS-XHDPSFHLSA-N 1 0 332.425 4.393 20 5 EIBDRO C[C@@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000595047673 1035567945 /nfs/dbraw/zinc/56/79/45/1035567945.db2.gz DZRZDKDDYHMZAW-LIRRHRJNSA-N 1 0 325.412 4.151 20 5 EIBDRO COCc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)ccc1F ZINC000151204464 1035573918 /nfs/dbraw/zinc/57/39/18/1035573918.db2.gz LEFWJJNGDWWBEU-ZDUSSCGKSA-N 1 0 332.375 4.040 20 5 EIBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CC1(F)F ZINC000595079554 1035592729 /nfs/dbraw/zinc/59/27/29/1035592729.db2.gz KMHMJQNBBGFMPH-FZMZJTMJSA-N 1 0 330.400 4.100 20 5 EIBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCc3ccc(O)cc32)c2cc([N+](=O)[O-])ccc21 ZINC000595087818 1035592995 /nfs/dbraw/zinc/59/29/95/1035592995.db2.gz DYZQTUGMANWDDR-RBUKOAKNSA-N 1 0 338.407 4.300 20 5 EIBDRO C[C@@]1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000595080258 1035595124 /nfs/dbraw/zinc/59/51/24/1035595124.db2.gz PLFJUENTHHFGGX-SJORKVTESA-N 1 0 332.350 4.319 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000595091801 1035601917 /nfs/dbraw/zinc/60/19/17/1035601917.db2.gz UJLUWZIIQQSSAO-PXAZEXFGSA-N 1 0 342.395 4.037 20 5 EIBDRO COc1cccc(C2([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])CCC2)c1 ZINC000595093962 1035604837 /nfs/dbraw/zinc/60/48/37/1035604837.db2.gz QIHUXKQAAUROPD-SFHVURJKSA-N 1 0 338.407 4.260 20 5 EIBDRO COCC[C@@H](C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237102383 1035710734 /nfs/dbraw/zinc/71/07/34/1035710734.db2.gz AMBCQCJLWZNHER-CYBMUJFWSA-N 1 0 348.374 4.041 20 5 EIBDRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000491016010 1035782920 /nfs/dbraw/zinc/78/29/20/1035782920.db2.gz BFLLFOVQTSXFMN-UIAACRFSSA-N 1 0 340.423 4.231 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595789233 1035794231 /nfs/dbraw/zinc/79/42/31/1035794231.db2.gz PVRVJJQIOOMAKW-BXWFABGCSA-N 1 0 332.444 4.245 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)CC(F)(F)F ZINC000596098784 1035817929 /nfs/dbraw/zinc/81/79/29/1035817929.db2.gz TWDHBBAEPWYYQN-JTQLQIEISA-N 1 0 334.338 4.233 20 5 EIBDRO CC[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000596118023 1035822753 /nfs/dbraw/zinc/82/27/53/1035822753.db2.gz MFMHVVQBXTZFDZ-OAHLLOKOSA-N 1 0 339.317 4.250 20 5 EIBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000420939746 1035881936 /nfs/dbraw/zinc/88/19/36/1035881936.db2.gz CFTFBMISONKXGB-ZDUSSCGKSA-N 1 0 346.349 4.158 20 5 EIBDRO COc1ccc(C[NH2+][C@H](CC(F)F)c2ccccc2)cc1[N+](=O)[O-] ZINC000420996791 1035933644 /nfs/dbraw/zinc/93/36/44/1035933644.db2.gz RBEQZPKEWOTJMB-CQSZACIVSA-N 1 0 336.338 4.090 20 5 EIBDRO COc1cc(C[N@@H+]2CCCCC[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000485570392 1036030998 /nfs/dbraw/zinc/03/09/98/1036030998.db2.gz PLKYCOXUTSFHRP-HNNXBMFYSA-N 1 0 330.384 4.314 20 5 EIBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])s2)[C@@H]1c1cccs1 ZINC000078338317 1036074539 /nfs/dbraw/zinc/07/45/39/1036074539.db2.gz QJBGYZQFGUKPKZ-IAQYHMDHSA-N 1 0 337.470 4.213 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1cnn(C2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000502367398 1036139800 /nfs/dbraw/zinc/13/98/00/1036139800.db2.gz REWWGIHUMZEWNZ-KGLIPLIRSA-N 1 0 328.416 4.318 20 5 EIBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)CC1=CCSC1 ZINC000597243163 1036168758 /nfs/dbraw/zinc/16/87/58/1036168758.db2.gz GDDKCYVRYHFLIY-UHFFFAOYSA-N 1 0 346.477 4.428 20 5 EIBDRO COc1cc(C[N@H+](C)[C@H](C)c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000485736120 1036226586 /nfs/dbraw/zinc/22/65/86/1036226586.db2.gz HDAVHYRCYRKJRF-GFCCVEGCSA-N 1 0 334.803 4.450 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000485795477 1036275222 /nfs/dbraw/zinc/27/52/22/1036275222.db2.gz GRZBURQPFNSNJH-LLVKDONJSA-N 1 0 343.408 4.064 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1OC1CCC1 ZINC000571939403 1036313891 /nfs/dbraw/zinc/31/38/91/1036313891.db2.gz NSXHUHJUDWRPQU-SFHVURJKSA-N 1 0 338.407 4.303 20 5 EIBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000421392880 1036356970 /nfs/dbraw/zinc/35/69/70/1036356970.db2.gz VSPRMWLYHCCXEV-UONOGXRCSA-N 1 0 346.452 4.371 20 5 EIBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCCC(F)(F)F ZINC000602553586 1036496514 /nfs/dbraw/zinc/49/65/14/1036496514.db2.gz DNAOCPOPCRGHLO-UHFFFAOYSA-N 1 0 330.228 4.046 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CCCCC(F)(F)C3)nc2c1 ZINC000602673604 1036552776 /nfs/dbraw/zinc/55/27/76/1036552776.db2.gz WGXYMVUTCZGQTF-NSHDSACASA-N 1 0 339.342 4.041 20 5 EIBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CC[C@H]2CC2(F)F)c2ccccc2)c1 ZINC000598679497 1036743087 /nfs/dbraw/zinc/74/30/87/1036743087.db2.gz HZYCSQHZUOLDGM-DOTOQJQBSA-N 1 0 332.350 4.319 20 5 EIBDRO CC[C@@H](C)[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000061002388 1036758725 /nfs/dbraw/zinc/75/87/25/1036758725.db2.gz DDSGQMDIRLQMIU-CQSZACIVSA-N 1 0 344.411 4.071 20 5 EIBDRO CC(C)c1ccc(C[NH2+]CC(C)(C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000061015345 1036769252 /nfs/dbraw/zinc/76/92/52/1036769252.db2.gz JQTAPBZBXJCJJA-UHFFFAOYSA-N 1 0 333.476 4.072 20 5 EIBDRO COc1ccccc1CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000061015830 1036770864 /nfs/dbraw/zinc/77/08/64/1036770864.db2.gz HFFZBRQHVIMQTR-UHFFFAOYSA-N 1 0 328.412 4.059 20 5 EIBDRO COc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000061029971 1036785046 /nfs/dbraw/zinc/78/50/46/1036785046.db2.gz XIRMQDDVBRUIBQ-OAQYLSRUSA-N 1 0 348.402 4.483 20 5 EIBDRO Cc1cc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc(C)n1 ZINC000421850559 1036806572 /nfs/dbraw/zinc/80/65/72/1036806572.db2.gz DJFSBPWODJWPPH-IBGZPJMESA-N 1 0 325.412 4.164 20 5 EIBDRO CC[C@H]([NH2+]Cc1cc2ccc(F)cc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000486709078 1036821980 /nfs/dbraw/zinc/82/19/80/1036821980.db2.gz GYTGSDKMZQFFQG-KRWDZBQOSA-N 1 0 327.359 4.456 20 5 EIBDRO CCCCC[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000486779161 1036851423 /nfs/dbraw/zinc/85/14/23/1036851423.db2.gz NIZUMCKIQMKPRX-OAHLLOKOSA-N 1 0 344.415 4.190 20 5 EIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2CCCc3scnc32)cc1 ZINC000599032612 1036851726 /nfs/dbraw/zinc/85/17/26/1036851726.db2.gz USWHFRZJUOTORP-HNNXBMFYSA-N 1 0 331.441 4.041 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000599068865 1036869399 /nfs/dbraw/zinc/86/93/99/1036869399.db2.gz QFMADZKVGBAZJF-QRWLVFNGSA-N 1 0 339.439 4.442 20 5 EIBDRO CC1(C)C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2cc(F)ccc2O1 ZINC000593674576 1036874893 /nfs/dbraw/zinc/87/48/93/1036874893.db2.gz YSBFJOIBEONXAD-INIZCTEOSA-N 1 0 330.359 4.126 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3CC4(CCC4)C3)cs2)c1 ZINC000593687555 1036891803 /nfs/dbraw/zinc/89/18/03/1036891803.db2.gz IMFITYWBAOFPQQ-UHFFFAOYSA-N 1 0 329.425 4.141 20 5 EIBDRO Cc1cc(NC[C@H](c2ccccc2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000603839043 1037022587 /nfs/dbraw/zinc/02/25/87/1037022587.db2.gz IZBLNDHEJUQITD-LJQANCHMSA-N 1 0 325.412 4.152 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2cccc3[nH]ccc32)cc(C(F)(F)F)c1 ZINC000487167720 1037025885 /nfs/dbraw/zinc/02/58/85/1037025885.db2.gz QYTCEGZRNMJVPG-UHFFFAOYSA-N 1 0 349.312 4.385 20 5 EIBDRO CC[NH+](CC)Cc1ccccc1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000603844364 1037039081 /nfs/dbraw/zinc/03/90/81/1037039081.db2.gz CTKAAWASOPIROG-UHFFFAOYSA-N 1 0 327.428 4.357 20 5 EIBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])c(C)c1)c1ccsc1 ZINC000603854007 1037047159 /nfs/dbraw/zinc/04/71/59/1037047159.db2.gz QXMUBKJUBGFTGP-QGZVFWFLSA-N 1 0 333.457 4.460 20 5 EIBDRO COc1ccc(C[N@H+](C)CCCCc2ccccc2)cc1[N+](=O)[O-] ZINC000603855001 1037050115 /nfs/dbraw/zinc/05/01/15/1037050115.db2.gz WQUDPJNMJHRAFD-UHFFFAOYSA-N 1 0 328.412 4.058 20 5 EIBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000603859503 1037052547 /nfs/dbraw/zinc/05/25/47/1037052547.db2.gz FKAVRUHKTYXECD-ZDUSSCGKSA-N 1 0 325.840 4.315 20 5 EIBDRO CC[NH+](CC)Cc1cccc(CNc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000603866238 1037062008 /nfs/dbraw/zinc/06/20/08/1037062008.db2.gz PNSCMOQOODQWCT-UHFFFAOYSA-N 1 0 327.428 4.357 20 5 EIBDRO CCCC[NH+](CCCC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000603872969 1037068385 /nfs/dbraw/zinc/06/83/85/1037068385.db2.gz LNZODVDSPKEFCJ-UHFFFAOYSA-N 1 0 332.404 4.047 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cc(Cl)cs1 ZINC000487549509 1037146002 /nfs/dbraw/zinc/14/60/02/1037146002.db2.gz NXEWIDLNSHDJTB-UHFFFAOYSA-N 1 0 331.224 4.295 20 5 EIBDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604012570 1037148308 /nfs/dbraw/zinc/14/83/08/1037148308.db2.gz RBGRFVRKKKYSPL-AWEZNQCLSA-N 1 0 332.375 4.196 20 5 EIBDRO COc1ccc2oc(CNCc3ccc([N+](=O)[O-])cc3Cl)cc2c1 ZINC000183805992 1037273166 /nfs/dbraw/zinc/27/31/66/1037273166.db2.gz IFGYYZYHVFUHQL-UHFFFAOYSA-N 1 0 346.770 4.293 20 5 EIBDRO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])CC(F)F ZINC000592392318 1037784388 /nfs/dbraw/zinc/78/43/88/1037784388.db2.gz KIFBDMZOEGDNCY-GZBFAFLISA-N 1 0 326.387 4.187 20 5 EIBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000489062220 1037855070 /nfs/dbraw/zinc/85/50/70/1037855070.db2.gz DRQZBZORPIWDFF-UGSOOPFHSA-N 1 0 348.468 4.210 20 5 EIBDRO CC(C)[N@H+](CCc1noc2ccccc21)Cc1ccc([N+](=O)[O-])cc1 ZINC000593949212 1037926910 /nfs/dbraw/zinc/92/69/10/1037926910.db2.gz ZDYXVVOQJYTXRE-UHFFFAOYSA-N 1 0 339.395 4.189 20 5 EIBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000503862032 1037948956 /nfs/dbraw/zinc/94/89/56/1037948956.db2.gz QXUKVINOQNNLKV-NJZAAPMLSA-N 1 0 328.359 4.104 20 5 EIBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@H]3CCCCO3)s2)cc1 ZINC000503935772 1038022259 /nfs/dbraw/zinc/02/22/59/1038022259.db2.gz GUCAPNOSOSNMGQ-MRXNPFEDSA-N 1 0 346.452 4.372 20 5 EIBDRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423356084 1038171872 /nfs/dbraw/zinc/17/18/72/1038171872.db2.gz PXAKJCQUGSZPFL-PMACEKPBSA-N 1 0 337.423 4.222 20 5 EIBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CSCc2ccccc21 ZINC000594493461 1038342017 /nfs/dbraw/zinc/34/20/17/1038342017.db2.gz PLRAHQMMEDWZKE-IAGOWNOFSA-N 1 0 326.421 4.160 20 5 EIBDRO CSc1ccc(F)cc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495523 1038345523 /nfs/dbraw/zinc/34/55/23/1038345523.db2.gz BATXTTVDTCORHM-OAHLLOKOSA-N 1 0 332.400 4.233 20 5 EIBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCc2ccc(O)cc2)c2ccccc2)c1 ZINC000490145540 1038357444 /nfs/dbraw/zinc/35/74/44/1038357444.db2.gz UYZVBGKALOANLW-NRFANRHFSA-N 1 0 348.402 4.222 20 5 EIBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1(C)CCCC1 ZINC000490195128 1038382539 /nfs/dbraw/zinc/38/25/39/1038382539.db2.gz RUWFMRONGBJHAX-UHFFFAOYSA-N 1 0 329.400 4.057 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C1CC1)C1CCCCC1 ZINC000063497944 1038394009 /nfs/dbraw/zinc/39/40/09/1038394009.db2.gz JYBLZQBNJNIPJT-UHFFFAOYSA-N 1 0 345.443 4.029 20 5 EIBDRO Cn1cc(C[NH2+]C2CCC(C)(C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237901867 1038809375 /nfs/dbraw/zinc/80/93/75/1038809375.db2.gz JNRLUQYZFLCARC-UHFFFAOYSA-N 1 0 342.443 4.054 20 5 EIBDRO COc1cccc(C[C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000539078160 1038824952 /nfs/dbraw/zinc/82/49/52/1038824952.db2.gz NCESWTJMNHLBBT-CABCVRRESA-N 1 0 328.412 4.194 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000504893394 1038840314 /nfs/dbraw/zinc/84/03/14/1038840314.db2.gz FGFGTOBVBCZFAV-AEGPPILISA-N 1 0 338.473 4.318 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccs1 ZINC000504906428 1038846821 /nfs/dbraw/zinc/84/68/21/1038846821.db2.gz XXMYRZINALWKHP-CYBMUJFWSA-N 1 0 336.482 4.359 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(O)cc1 ZINC000504912328 1038849118 /nfs/dbraw/zinc/84/91/18/1038849118.db2.gz UOUBDPPPFVLRJD-OAHLLOKOSA-N 1 0 346.452 4.003 20 5 EIBDRO CCOc1ccc([C@@H](C)[NH2+]CCCOc2ccccc2)cc1[N+](=O)[O-] ZINC000504911909 1038849269 /nfs/dbraw/zinc/84/92/69/1038849269.db2.gz NLPNQWCDWOWVBO-OAHLLOKOSA-N 1 0 344.411 4.113 20 5 EIBDRO C[C@H](C[C@H]1CCCO1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000608837844 1038924824 /nfs/dbraw/zinc/92/48/24/1038924824.db2.gz PDKZIFIRHLROSO-ZIAGYGMSSA-N 1 0 346.452 4.371 20 5 EIBDRO C[C@H]([NH2+]CCCCN(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000481023910 1038963098 /nfs/dbraw/zinc/96/30/98/1038963098.db2.gz NTGSFRPHRGOVPR-INIZCTEOSA-N 1 0 327.428 4.162 20 5 EIBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000481171051 1039063739 /nfs/dbraw/zinc/06/37/39/1039063739.db2.gz PKGWXEJRIGAWRO-IIYDPXPESA-N 1 0 329.400 4.164 20 5 EIBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000552072473 1039105468 /nfs/dbraw/zinc/10/54/68/1039105468.db2.gz KZMKQZXBGRSPLG-VNECMFDASA-N 1 0 326.371 4.283 20 5 EIBDRO CC[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000534122741 1039121231 /nfs/dbraw/zinc/12/12/31/1039121231.db2.gz WOQAKDMVJRMQGB-CQSZACIVSA-N 1 0 329.400 4.262 20 5 EIBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+](CCO)C2CCCC2)s1 ZINC000505283462 1039191513 /nfs/dbraw/zinc/19/15/13/1039191513.db2.gz NQUAGFVQMQYINR-UHFFFAOYSA-N 1 0 346.452 4.060 20 5 EIBDRO CC[C@@H]1CCCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000505362520 1039248906 /nfs/dbraw/zinc/24/89/06/1039248906.db2.gz PWXTXDOMRPBFTE-OAHLLOKOSA-N 1 0 331.441 4.483 20 5 EIBDRO COC(C)(C)C[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513820473 1039293970 /nfs/dbraw/zinc/29/39/70/1039293970.db2.gz PYANHCVJKVVILY-ZOBUZTSGSA-N 1 0 334.460 4.099 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000122094025 1039315188 /nfs/dbraw/zinc/31/51/88/1039315188.db2.gz VLFLFEINIPQONF-FZKQIMNGSA-N 1 0 344.411 4.414 20 5 EIBDRO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCc2cccnc21 ZINC000481416052 1039404258 /nfs/dbraw/zinc/40/42/58/1039404258.db2.gz GYKNRAAWCKWUST-SFHVURJKSA-N 1 0 325.412 4.279 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(C)c2)cc1[N+](=O)[O-] ZINC000152687604 1039628918 /nfs/dbraw/zinc/62/89/18/1039628918.db2.gz PFECRQIDOVLPAM-ZDUSSCGKSA-N 1 0 332.375 4.292 20 5 EIBDRO C[C@H]1Cc2ccccc2CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534853573 1039813701 /nfs/dbraw/zinc/81/37/01/1039813701.db2.gz FZLGXJJTABUBPM-AWEZNQCLSA-N 1 0 349.390 4.197 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]C2CC(F)(c3cccc(Cl)c3)C2)cs1 ZINC000481814658 1039843705 /nfs/dbraw/zinc/84/37/05/1039843705.db2.gz LBHXBAUISHICMO-UHFFFAOYSA-N 1 0 340.807 4.427 20 5 EIBDRO C[C@@]12CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]1C2(F)F ZINC000430103478 1039845057 /nfs/dbraw/zinc/84/50/57/1039845057.db2.gz KBKPEJZCNQMCGZ-DLBZAZTESA-N 1 0 348.349 4.332 20 5 EIBDRO CCN(CC)[C@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000481951088 1039909448 /nfs/dbraw/zinc/90/94/48/1039909448.db2.gz GFOOMVRFMURAQI-MAUKXSAKSA-N 1 0 345.443 4.230 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000482003343 1039944879 /nfs/dbraw/zinc/94/48/79/1039944879.db2.gz SWZLTKRCGMGWPH-GOSISDBHSA-N 1 0 345.830 4.317 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]CCc2c[nH]c3cc(F)ccc23)cc1[N+](=O)[O-] ZINC000482116302 1040015245 /nfs/dbraw/zinc/01/52/45/1040015245.db2.gz VBDXDPMSKNMEQE-CYBMUJFWSA-N 1 0 341.386 4.417 20 5 EIBDRO COc1ccccc1C1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000482121473 1040033913 /nfs/dbraw/zinc/03/39/13/1040033913.db2.gz CYEOFMQNJGVHGN-HNNXBMFYSA-N 1 0 340.423 4.294 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCCO1 ZINC000535192129 1040034270 /nfs/dbraw/zinc/03/42/70/1040034270.db2.gz PQSJKZIYAQTPGL-IAGOWNOFSA-N 1 0 346.452 4.371 20 5 EIBDRO C[C@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1ccc([N+](=O)[O-])cc1 ZINC000482127237 1040038573 /nfs/dbraw/zinc/03/85/73/1040038573.db2.gz ZZHMWSHYURDSTM-LBPRGKRZSA-N 1 0 327.359 4.109 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000551272741 1040139049 /nfs/dbraw/zinc/13/90/49/1040139049.db2.gz PDIHVCIUDHSHDN-SLFFLAALSA-N 1 0 336.435 4.309 20 5 EIBDRO COCCC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000442763819 1040294814 /nfs/dbraw/zinc/29/48/14/1040294814.db2.gz GZDZWKYZCFLFGY-GOSISDBHSA-N 1 0 346.402 4.034 20 5 EIBDRO CCC[C@@H]([NH2+]Cc1ccc(OC(C)C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000160075131 1040328316 /nfs/dbraw/zinc/32/83/16/1040328316.db2.gz ONUKPUGGOGIFDK-GOSISDBHSA-N 1 0 343.427 4.408 20 5 EIBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000122172224 1040339832 /nfs/dbraw/zinc/33/98/32/1040339832.db2.gz FAVUYEKECJCNIO-QWHCGFSZSA-N 1 0 332.375 4.463 20 5 EIBDRO CSc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192727710 1040378098 /nfs/dbraw/zinc/37/80/98/1040378098.db2.gz PXSLYBXQNQGGIC-SFHVURJKSA-N 1 0 328.437 4.484 20 5 EIBDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000152784598 1040417050 /nfs/dbraw/zinc/41/70/50/1040417050.db2.gz UGUASMIBAYNEHY-CYBMUJFWSA-N 1 0 332.375 4.292 20 5 EIBDRO C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000482894911 1040557564 /nfs/dbraw/zinc/55/75/64/1040557564.db2.gz XRFQXAXZDRIJRE-SGTLLEGYSA-N 1 0 346.452 4.135 20 5 EIBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000435790948 1040621474 /nfs/dbraw/zinc/62/14/74/1040621474.db2.gz LVXAPMRJFBWQSA-CTYIDZIISA-N 1 0 344.386 4.168 20 5 EIBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cscc1C(F)(F)F ZINC000565924207 1040643130 /nfs/dbraw/zinc/64/31/30/1040643130.db2.gz VFUGKKYCLQTEQO-UHFFFAOYSA-N 1 0 330.331 4.007 20 5 EIBDRO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000192784604 1040661875 /nfs/dbraw/zinc/66/18/75/1040661875.db2.gz WUTQBLLHGPGVDG-CXAGYDPISA-N 1 0 342.395 4.168 20 5 EIBDRO CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000539678855 1040700125 /nfs/dbraw/zinc/70/01/25/1040700125.db2.gz AOWAJNASVOUTFA-RYQLBKOJSA-N 1 0 334.460 4.099 20 5 EIBDRO CC[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000160837694 1040805335 /nfs/dbraw/zinc/80/53/35/1040805335.db2.gz XTZABURPPSFCNF-RTBURBONSA-N 1 0 328.412 4.149 20 5 EIBDRO C[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000539825906 1040821563 /nfs/dbraw/zinc/82/15/63/1040821563.db2.gz XRMPGKKHASICCW-OLZOCXBDSA-N 1 0 331.441 4.196 20 5 EIBDRO C[C@H]1C[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1C ZINC000539825908 1040821913 /nfs/dbraw/zinc/82/19/13/1040821913.db2.gz XRMPGKKHASICCW-STQMWFEESA-N 1 0 331.441 4.196 20 5 EIBDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000537775802 1040830501 /nfs/dbraw/zinc/83/05/01/1040830501.db2.gz RWQDOEGCORIONE-ZIAGYGMSSA-N 1 0 346.452 4.228 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000480005883 1040848765 /nfs/dbraw/zinc/84/87/65/1040848765.db2.gz CYUGHSVOWADYSY-CRAIPNDOSA-N 1 0 334.460 4.402 20 5 EIBDRO Cc1ccc(C[NH2+]C[C@H](C)Oc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000462732834 1040873701 /nfs/dbraw/zinc/87/37/01/1040873701.db2.gz FMALVOGLCMPCEI-ZDUSSCGKSA-N 1 0 334.803 4.114 20 5 EIBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC000462732966 1040873962 /nfs/dbraw/zinc/87/39/62/1040873962.db2.gz FTZKBGCJFNSHGM-YRGRVCCFSA-N 1 0 340.370 4.255 20 5 EIBDRO C[C@@H](NCc1cccc(OC(C)(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000537941331 1040906401 /nfs/dbraw/zinc/90/64/01/1040906401.db2.gz PFOLBRIEHXZDSB-CYBMUJFWSA-N 1 0 329.400 4.018 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000537953760 1040924041 /nfs/dbraw/zinc/92/40/41/1040924041.db2.gz HGKORRXPAINBLL-NWDGAFQWSA-N 1 0 342.424 4.458 20 5 EIBDRO CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000537976615 1040945339 /nfs/dbraw/zinc/94/53/39/1040945339.db2.gz DCCMUIFAQQCQOZ-UGSOOPFHSA-N 1 0 326.396 4.332 20 5 EIBDRO COC[C@@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000537984195 1040957667 /nfs/dbraw/zinc/95/76/67/1040957667.db2.gz LLLVSZIWUCDATH-RDTXWAMCSA-N 1 0 346.402 4.032 20 5 EIBDRO CCC[C@H]([NH2+][C@H]1CCCC[C@@H]1n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000483687062 1040962833 /nfs/dbraw/zinc/96/28/33/1040962833.db2.gz SOWGQVJEFNUEHH-FHWLQOOXSA-N 1 0 342.443 4.406 20 5 EIBDRO CO[C@](C)(C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000462815034 1040988861 /nfs/dbraw/zinc/98/88/61/1040988861.db2.gz BIGBNGGXMMDJCL-WOJBJXKFSA-N 1 0 340.423 4.089 20 5 EIBDRO COc1ccc([C@@H](C)CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000483761630 1041003309 /nfs/dbraw/zinc/00/33/09/1041003309.db2.gz XXUCXAVHYDNTGU-GJZGRUSLSA-N 1 0 328.412 4.448 20 5 EIBDRO C[C@@H](OCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000480172538 1041034207 /nfs/dbraw/zinc/03/42/07/1041034207.db2.gz NJEJOSQIJWCCEM-JKSUJKDBSA-N 1 0 328.412 4.413 20 5 EIBDRO C[C@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000436303985 1041075207 /nfs/dbraw/zinc/07/52/07/1041075207.db2.gz DFZBEIOIQNQOJG-YLVFBTJISA-N 1 0 332.350 4.470 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CC)[C@H]1CCCO1 ZINC000540140184 1041161280 /nfs/dbraw/zinc/16/12/80/1041161280.db2.gz JAEYSXWBWKMXPU-IJEWVQPXSA-N 1 0 338.473 4.013 20 5 EIBDRO Cc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000463038890 1041263636 /nfs/dbraw/zinc/26/36/36/1041263636.db2.gz ZSEIFAAIQOYXDP-KGLIPLIRSA-N 1 0 330.350 4.456 20 5 EIBDRO CC[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000484491912 1041265804 /nfs/dbraw/zinc/26/58/04/1041265804.db2.gz JSYJALGZOUXGRN-CJNGLKHVSA-N 1 0 332.375 4.242 20 5 EIBDRO CCc1cnccc1[C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000540316614 1041364426 /nfs/dbraw/zinc/36/44/26/1041364426.db2.gz ZFUKJPDKZMBCLR-CABCVRRESA-N 1 0 327.428 4.224 20 5 EIBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000505863797 1041418536 /nfs/dbraw/zinc/41/85/36/1041418536.db2.gz HDFAHVZULWMCLA-MRXNPFEDSA-N 1 0 328.387 4.331 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000470169898 1041427212 /nfs/dbraw/zinc/42/72/12/1041427212.db2.gz LNWNUTGPUXPMRN-LBKOFNPBSA-N 1 0 325.412 4.174 20 5 EIBDRO C[C@H]([NH2+][C@H]1CCCc2c(Cl)ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000924797795 1041447640 /nfs/dbraw/zinc/44/76/40/1041447640.db2.gz IBQAIPPCXILXET-ZBEGNZNMSA-N 1 0 331.803 4.371 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505875179 1041458187 /nfs/dbraw/zinc/45/81/87/1041458187.db2.gz STBZYPJRBOGAES-IAGOWNOFSA-N 1 0 340.423 4.365 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)C(F)(F)F ZINC000480665260 1041470137 /nfs/dbraw/zinc/47/01/37/1041470137.db2.gz OBTJOYMNZTUEMY-GHMZBOCLSA-N 1 0 336.379 4.254 20 5 EIBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516313815 1041516182 /nfs/dbraw/zinc/51/61/82/1041516182.db2.gz XBNFHWPBCWYCRL-LWLIDHTLSA-N 1 0 344.386 4.087 20 5 EIBDRO CCO[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000516389538 1041560369 /nfs/dbraw/zinc/56/03/69/1041560369.db2.gz JCGVPWGJKYJTMC-KXBFYZLASA-N 1 0 328.412 4.332 20 5 EIBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H](c3ccccc3)C3CC3)c2c1 ZINC000516994179 1041833610 /nfs/dbraw/zinc/83/36/10/1041833610.db2.gz NMPMZPAPGYFYOF-HXUWFJFHSA-N 1 0 335.407 4.360 20 5 EIBDRO CCC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000541696413 1042069121 /nfs/dbraw/zinc/06/91/21/1042069121.db2.gz DWIJNQKHSMHHEY-MRXNPFEDSA-N 1 0 329.400 4.404 20 5 EIBDRO COc1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)ccc1SC ZINC000541773005 1042111050 /nfs/dbraw/zinc/11/10/50/1042111050.db2.gz MYPGYXVVIHOEMD-UHFFFAOYSA-N 1 0 346.452 4.266 20 5 EIBDRO CC(C)c1ccc(C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000517628617 1042114747 /nfs/dbraw/zinc/11/47/47/1042114747.db2.gz ITMKWAVWCNETCM-HNNXBMFYSA-N 1 0 332.444 4.109 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)c1 ZINC000425972641 1042115160 /nfs/dbraw/zinc/11/51/60/1042115160.db2.gz ZQLZWXQTEGSUPJ-UHFFFAOYSA-N 1 0 328.334 4.340 20 5 EIBDRO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000464729244 1042143884 /nfs/dbraw/zinc/14/38/84/1042143884.db2.gz DDMQSTAPTZYJBE-KSSFIOAISA-N 1 0 344.386 4.196 20 5 EIBDRO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464776813 1042158623 /nfs/dbraw/zinc/15/86/23/1042158623.db2.gz OVELWJKHGPQDSB-AWEZNQCLSA-N 1 0 344.386 4.338 20 5 EIBDRO C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000464859003 1042203119 /nfs/dbraw/zinc/20/31/19/1042203119.db2.gz PPFNLQCISKCAQE-RHSMWYFYSA-N 1 0 330.384 4.040 20 5 EIBDRO CCCCCn1cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c(C)n1 ZINC000517959448 1042292056 /nfs/dbraw/zinc/29/20/56/1042292056.db2.gz CFSSTLIKLQCFPN-GOSISDBHSA-N 1 0 342.443 4.067 20 5 EIBDRO COc1ccc([C@H](C)[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000506325965 1042315618 /nfs/dbraw/zinc/31/56/18/1042315618.db2.gz OIYWPMHFIYRGIH-LYASGUKUSA-N 1 0 326.396 4.310 20 5 EIBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000271855628 1042463254 /nfs/dbraw/zinc/46/32/54/1042463254.db2.gz YGWUXOSTAJCBID-OLZOCXBDSA-N 1 0 329.356 4.223 20 5 EIBDRO CCC[C@@H]([NH2+]CCc1nnc(C(C)C)s1)c1cccc([N+](=O)[O-])c1 ZINC000426300268 1042537347 /nfs/dbraw/zinc/53/73/47/1042537347.db2.gz DHQHTDYVFYHMHL-OAHLLOKOSA-N 1 0 348.472 4.243 20 5 EIBDRO CC(C)([NH2+]Cc1cc2ccc(F)cc2[nH]1)c1ccccc1[N+](=O)[O-] ZINC000492155507 1042568247 /nfs/dbraw/zinc/56/82/47/1042568247.db2.gz WFUDRJQZZDAQEI-UHFFFAOYSA-N 1 0 327.359 4.240 20 5 EIBDRO Cc1c([C@H](C)[NH2+][C@@H](C)[C@H]2OCCc3sccc32)cccc1[N+](=O)[O-] ZINC000426355198 1042589432 /nfs/dbraw/zinc/58/94/32/1042589432.db2.gz YOOSHYSHFIBKQR-ZJNRKIDTSA-N 1 0 346.452 4.318 20 5 EIBDRO CCC(CC)(C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)OC ZINC000492277714 1042596208 /nfs/dbraw/zinc/59/62/08/1042596208.db2.gz SUBHGSPQFWXSIV-UHFFFAOYSA-N 1 0 349.456 4.013 20 5 EIBDRO CCOc1cc(C[N@H+](CC)[C@@H](C)c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000492789822 1042750278 /nfs/dbraw/zinc/75/02/78/1042750278.db2.gz NEGHGQOWWGCTFT-AWEZNQCLSA-N 1 0 344.411 4.282 20 5 EIBDRO COc1cc(C[NH2+][C@H](C)c2cccc(OC(C)C)c2)ccc1[N+](=O)[O-] ZINC000492909648 1042763859 /nfs/dbraw/zinc/76/38/59/1042763859.db2.gz FHPHVQFVPIWYGR-CQSZACIVSA-N 1 0 344.411 4.241 20 5 EIBDRO CCOc1ccc([C@H]2CCCN2Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000506710905 1042798941 /nfs/dbraw/zinc/79/89/41/1042798941.db2.gz KXHAGUMPMFCTCG-GOSISDBHSA-N 1 0 342.395 4.036 20 5 EIBDRO CO[C@H](C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000493038870 1042799328 /nfs/dbraw/zinc/79/93/28/1042799328.db2.gz WXSTWKWVMNJIFN-RTBURBONSA-N 1 0 342.439 4.335 20 5 EIBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000184704429 1042883976 /nfs/dbraw/zinc/88/39/76/1042883976.db2.gz JFMRTVBWARUUFB-CZUORRHYSA-N 1 0 344.415 4.093 20 5 EIBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000129580613 1042935117 /nfs/dbraw/zinc/93/51/17/1042935117.db2.gz UEYDFSQVQBXWJV-HDMKZQKVSA-N 1 0 325.412 4.052 20 5 EIBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000493634697 1042941472 /nfs/dbraw/zinc/94/14/72/1042941472.db2.gz KFPGPJXQWISWAT-CVEARBPZSA-N 1 0 347.459 4.036 20 5 EIBDRO COc1ccc(C[NH2+][C@H](C)c2cc3cccc(F)c3o2)cc1[N+](=O)[O-] ZINC000473999260 1042942354 /nfs/dbraw/zinc/94/23/54/1042942354.db2.gz HPFJJMLLOMKCIA-LLVKDONJSA-N 1 0 344.342 4.340 20 5 EIBDRO CCc1ccc([C@H]([NH2+]CCCSC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542470292 1042948437 /nfs/dbraw/zinc/94/84/37/1042948437.db2.gz GBRSXVBFGPJHSL-QGZVFWFLSA-N 1 0 334.441 4.182 20 5 EIBDRO CC1(C)CC[C@@H](C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)O1 ZINC000427978121 1043284148 /nfs/dbraw/zinc/28/41/48/1043284148.db2.gz BHTJGOGBWQCWOB-OALUTQOASA-N 1 0 340.423 4.231 20 5 EIBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000494533839 1043570095 /nfs/dbraw/zinc/57/00/95/1043570095.db2.gz UMRSSVXYYMOQPT-INIZCTEOSA-N 1 0 339.439 4.257 20 5 EIBDRO CSc1ccccc1C[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000543074333 1043742154 /nfs/dbraw/zinc/74/21/54/1043742154.db2.gz NMGUSGVOZKVBIR-CQSZACIVSA-N 1 0 330.453 4.080 20 5 EIBDRO CCOc1cc(C[NH2+]C(C)(C)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000429239806 1043885096 /nfs/dbraw/zinc/88/50/96/1043885096.db2.gz VFHOMQORTDHICK-UHFFFAOYSA-N 1 0 332.375 4.158 20 5 EIBDRO C[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173304445 1043889043 /nfs/dbraw/zinc/88/90/43/1043889043.db2.gz QJSUSTJRRAKPFE-UZLBHIALSA-N 1 0 339.439 4.083 20 5 EIBDRO CSc1ccc(OCC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000429244307 1044090687 /nfs/dbraw/zinc/09/06/87/1044090687.db2.gz KFNGGQDZGHHQTD-UHFFFAOYSA-N 1 0 346.452 4.220 20 5 EIBDRO COc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1SC ZINC000080347381 1044154836 /nfs/dbraw/zinc/15/48/36/1044154836.db2.gz FTOFMDAVVOXMLL-UHFFFAOYSA-N 1 0 346.452 4.350 20 5 EIBDRO CCOc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000080346999 1044156719 /nfs/dbraw/zinc/15/67/19/1044156719.db2.gz UDXWCSJXYVWARX-UHFFFAOYSA-N 1 0 344.411 4.027 20 5 EIBDRO COc1ccccc1CCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429247687 1044208035 /nfs/dbraw/zinc/20/80/35/1044208035.db2.gz KEMRULBWSIRHNB-UHFFFAOYSA-N 1 0 328.412 4.061 20 5 EIBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000494789338 1044260120 /nfs/dbraw/zinc/26/01/20/1044260120.db2.gz ADRAERFHBWSGAN-KSSFIOAISA-N 1 0 346.814 4.116 20 5 EIBDRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000474064088 1044333016 /nfs/dbraw/zinc/33/30/16/1044333016.db2.gz IZOKNSCTGBYKCE-QGZVFWFLSA-N 1 0 326.396 4.116 20 5 EIBDRO Cc1cccc2c1OCC[C@H]2[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000474072773 1044350438 /nfs/dbraw/zinc/35/04/38/1044350438.db2.gz DZSRYNFHBUCTCM-CRAIPNDOSA-N 1 0 340.423 4.338 20 5 EIBDRO COc1ccc([C@H](C)C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000466469644 1044567209 /nfs/dbraw/zinc/56/72/09/1044567209.db2.gz WGKOJCURFXWRFM-GFCCVEGCSA-N 1 0 334.803 4.150 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)cs1 ZINC000466476052 1044583065 /nfs/dbraw/zinc/58/30/65/1044583065.db2.gz VWANSVHJLHDZDX-UHFFFAOYSA-N 1 0 340.807 4.485 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccc3cccnc32)C2CC2)cc1 ZINC000130562065 1044645539 /nfs/dbraw/zinc/64/55/39/1044645539.db2.gz YXXZOTYGJLPVMD-UHFFFAOYSA-N 1 0 333.391 4.308 20 5 EIBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](C)C1CCCCC1 ZINC000543460914 1044652009 /nfs/dbraw/zinc/65/20/09/1044652009.db2.gz UGUVDYGIUHUHRR-ZIAGYGMSSA-N 1 0 348.443 4.156 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000193161143 1044655407 /nfs/dbraw/zinc/65/54/07/1044655407.db2.gz TZEHSUNUCFDYDL-HNNXBMFYSA-N 1 0 347.212 4.134 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000734839098 1044696241 /nfs/dbraw/zinc/69/62/41/1044696241.db2.gz WJIKGEXXCFIIKI-LBPRGKRZSA-N 1 0 334.778 4.377 20 5 EIBDRO COc1cc(CSCC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])cc1F ZINC000463433213 1044721276 /nfs/dbraw/zinc/72/12/76/1044721276.db2.gz ZJIMNPNLXBGRJL-UHFFFAOYSA-N 1 0 344.452 4.095 20 5 EIBDRO O=[N+]([O-])c1ccccc1CN(Cc1c[nH]nc1-c1ccccc1)C1CC1 ZINC000154305234 1044763829 /nfs/dbraw/zinc/76/38/29/1044763829.db2.gz NMPHXGNRZGKKMF-UHFFFAOYSA-N 1 0 348.406 4.150 20 5 EIBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc(C(F)(F)F)s2)c1 ZINC000428867501 1044772804 /nfs/dbraw/zinc/77/28/04/1044772804.db2.gz LKRDMINPXYQZRU-UHFFFAOYSA-N 1 0 330.331 4.007 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2ccc(CN[C@H](c3ccccn3)C3CC3)o2)c1 ZINC000922586990 1044831782 /nfs/dbraw/zinc/83/17/82/1044831782.db2.gz UZSRGSDJZZNSJL-FQEVSTJZSA-N 1 0 349.390 4.491 20 5 EIBDRO C[C@@H]1CC(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@H](C)O1 ZINC000555225638 1044835886 /nfs/dbraw/zinc/83/58/86/1044835886.db2.gz MYXBUHSRGMKCAC-SPYBWZPUSA-N 1 0 346.471 4.099 20 5 EIBDRO CC[C@@H](C)[NH+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000914868988 1044840941 /nfs/dbraw/zinc/84/09/41/1044840941.db2.gz TWWRUWXQMVPBTD-CQSZACIVSA-N 1 0 343.383 4.304 20 5 EIBDRO CCOC[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000093838731 1044855702 /nfs/dbraw/zinc/85/57/02/1044855702.db2.gz IOQULNBTWCDFTJ-AWEZNQCLSA-N 1 0 346.452 4.182 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000922883024 1045022075 /nfs/dbraw/zinc/02/20/75/1045022075.db2.gz AXVNFRRXCGEEEZ-QGZVFWFLSA-N 1 0 325.412 4.280 20 5 EIBDRO COCC[C@@H]1CCCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470208343 1045064664 /nfs/dbraw/zinc/06/46/64/1045064664.db2.gz RLOCHBVYXWLCMQ-WBILKINKSA-N 1 0 332.444 4.137 20 5 EIBDRO C[C@@H]1C[C@@H](Nc2sccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000302032187 1045157658 /nfs/dbraw/zinc/15/76/58/1045157658.db2.gz SMYYEOQBLLEENJ-HIFRSBDPSA-N 1 0 331.441 4.121 20 5 EIBDRO Cc1cnc([C@@H](C)CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)s1 ZINC000302149261 1045163570 /nfs/dbraw/zinc/16/35/70/1045163570.db2.gz SPALXLIWURAOBO-JTQLQIEISA-N 1 0 342.424 4.432 20 5 EIBDRO Cc1cc(N2C[C@@H](C)C[C@H]2c2cccnc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302153635 1045164711 /nfs/dbraw/zinc/16/47/11/1045164711.db2.gz VDFLGJRLTNBEON-DJJJIMSYSA-N 1 0 348.406 4.434 20 5 EIBDRO Cc1cc(N[C@@H]2CCO[C@@H]2c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302167819 1045166102 /nfs/dbraw/zinc/16/61/02/1045166102.db2.gz LJPHQXQKLVDCIE-UYAOXDASSA-N 1 0 349.390 4.394 20 5 EIBDRO COCc1ccc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000302211203 1045169970 /nfs/dbraw/zinc/16/99/70/1045169970.db2.gz YOZDZUVBWDTGKV-UHFFFAOYSA-N 1 0 337.379 4.210 20 5 EIBDRO Cc1nc(C)c(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)s1 ZINC000302680572 1045191092 /nfs/dbraw/zinc/19/10/92/1045191092.db2.gz RQAJTWZLJBEDLI-UHFFFAOYSA-N 1 0 328.397 4.137 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C(C)C)no1 ZINC000611248519 1045266961 /nfs/dbraw/zinc/26/69/61/1045266961.db2.gz VYUDHSAQVMONLP-CYBMUJFWSA-N 1 0 349.456 4.367 20 5 EIBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000611336770 1045283083 /nfs/dbraw/zinc/28/30/83/1045283083.db2.gz DUXWIKJNNHSHRW-YJBOKZPZSA-N 1 0 334.460 4.101 20 5 EIBDRO CC[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000611433620 1045308667 /nfs/dbraw/zinc/30/86/67/1045308667.db2.gz DRUSLVAVTJNCMW-INIZCTEOSA-N 1 0 344.415 4.093 20 5 EIBDRO CSC1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000193816153 1045509345 /nfs/dbraw/zinc/50/93/45/1045509345.db2.gz SYJWRJYYJCUCSI-QGZVFWFLSA-N 1 0 328.437 4.169 20 5 EIBDRO CCC[C@H]([NH2+][C@H](CCOC)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000272595561 1045593484 /nfs/dbraw/zinc/59/34/84/1045593484.db2.gz SQJOZBICARCAMD-DLBZAZTESA-N 1 0 332.400 4.396 20 5 EIBDRO CCC[C@H]([NH2+][C@@H](CCOC)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000272595568 1045594831 /nfs/dbraw/zinc/59/48/31/1045594831.db2.gz SQJOZBICARCAMD-IRXDYDNUSA-N 1 0 332.400 4.396 20 5 EIBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H](SC)C1 ZINC000768100915 1045713667 /nfs/dbraw/zinc/71/36/67/1045713667.db2.gz AEAIDBWXAXWXEF-MCIONIFRSA-N 1 0 340.514 4.339 20 5 EIBDRO CCOc1ccc([C@H](C)[NH2+]Cc2c(C)cccc2F)cc1[N+](=O)[O-] ZINC000768101343 1045713737 /nfs/dbraw/zinc/71/37/37/1045713737.db2.gz GFCRCQZOUZBAOM-ZDUSSCGKSA-N 1 0 332.375 4.292 20 5 EIBDRO O=[N+]([O-])c1cc(C[NH+]2CCC(c3ccc(O)cc3)CC2)ccc1Cl ZINC000768544407 1045822623 /nfs/dbraw/zinc/82/26/23/1045822623.db2.gz PIHQBYHXALHVLL-UHFFFAOYSA-N 1 0 346.814 4.333 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)CCc2ccccc2)c([N+](=O)[O-])c1 ZINC001170293975 1045977732 /nfs/dbraw/zinc/97/77/32/1045977732.db2.gz NVWUYEKEPQDYDZ-HZPDHXFCSA-N 1 0 342.439 4.145 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)CCc2ccccc2)c([N+](=O)[O-])c1 ZINC001170293978 1045978049 /nfs/dbraw/zinc/97/80/49/1045978049.db2.gz NVWUYEKEPQDYDZ-JKSUJKDBSA-N 1 0 342.439 4.145 20 5 EIBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2cccc(C)c2)c([N+](=O)[O-])c1 ZINC001170296662 1045983094 /nfs/dbraw/zinc/98/30/94/1045983094.db2.gz HLJLNEPQSQPQFH-CABCVRRESA-N 1 0 328.412 4.194 20 5 EIBDRO COc1ccc(C[C@H](C)NC(=[NH2+])C2CCCCCC2)c([N+](=O)[O-])c1 ZINC001170305648 1045985244 /nfs/dbraw/zinc/98/52/44/1045985244.db2.gz OLOCUKGYUSTSML-ZDUSSCGKSA-N 1 0 333.432 4.072 20 5 EIBDRO Cc1ccccc1[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000792876039 1046087497 /nfs/dbraw/zinc/08/74/97/1046087497.db2.gz KHBUSIJHSUXHOK-GOSISDBHSA-N 1 0 343.383 4.298 20 5 EIBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000152523460 1046099506 /nfs/dbraw/zinc/09/95/06/1046099506.db2.gz QUXLADCTHPPKMO-IAGOWNOFSA-N 1 0 339.439 4.080 20 5 EIBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC([NH+]2CCCCC2)CC1 ZINC000770083001 1046143394 /nfs/dbraw/zinc/14/33/94/1046143394.db2.gz JZOIFHSOPNBYKY-UHFFFAOYSA-N 1 0 337.851 4.011 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000763413890 1046143776 /nfs/dbraw/zinc/14/37/76/1046143776.db2.gz HQACRPMMPHJBEH-CKFHNAJUSA-N 1 0 346.402 4.205 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000127527814 1046691755 /nfs/dbraw/zinc/69/17/55/1046691755.db2.gz HQUHQGPPRSLPMY-AEFFLSMTSA-N 1 0 346.471 4.387 20 5 EIBDRO C[C@H](Nc1cccc(CC[NH+]2CCCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000536699437 1046698954 /nfs/dbraw/zinc/69/89/54/1046698954.db2.gz DTNALMFILCKHKO-INIZCTEOSA-N 1 0 339.439 4.406 20 5 EIBDRO COc1ccc(C[N@H+](C)[C@@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000497396172 1046798577 /nfs/dbraw/zinc/79/85/77/1046798577.db2.gz JZIGFVSGHPELGD-LJQANCHMSA-N 1 0 328.412 4.433 20 5 EIBDRO C[C@@H](CO)CCC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000536837563 1046812637 /nfs/dbraw/zinc/81/26/37/1046812637.db2.gz HADRQTJVHSYJFW-ZIAGYGMSSA-N 1 0 348.468 4.383 20 5 EIBDRO CCC[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000536848313 1046819156 /nfs/dbraw/zinc/81/91/56/1046819156.db2.gz VLPSOHZSQRWKEV-SNRMKQJTSA-N 1 0 334.460 4.357 20 5 EIBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+]C3(C4CCC4)CCC3)o2)c1 ZINC000459771362 1046880734 /nfs/dbraw/zinc/88/07/34/1046880734.db2.gz NIJJSOLSUSPTKU-UHFFFAOYSA-N 1 0 341.411 4.105 20 5 EIBDRO CCC[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCC1 ZINC000459809604 1046887620 /nfs/dbraw/zinc/88/76/20/1046887620.db2.gz SYKUIADUSDWSME-KRWDZBQOSA-N 1 0 343.427 4.351 20 5 EIBDRO COCCSc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000537104795 1046934410 /nfs/dbraw/zinc/93/44/10/1046934410.db2.gz UGWADJJXOOTWMB-CQSZACIVSA-N 1 0 346.452 4.184 20 5 EIBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1ccccc1[N+](=O)[O-] ZINC000537087665 1046935387 /nfs/dbraw/zinc/93/53/87/1046935387.db2.gz BVGWCLSXRRDPMP-LSDHHAIUSA-N 1 0 336.395 4.192 20 5 EIBDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cn2ncc3cc([N+](=O)[O-])ccc32)c1 ZINC000917617639 1047029940 /nfs/dbraw/zinc/02/99/40/1047029940.db2.gz NPWHYOALPLPFBX-SFHVURJKSA-N 1 0 336.395 4.048 20 5 EIBDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001170084549 1047184209 /nfs/dbraw/zinc/18/42/09/1047184209.db2.gz BWZIUQKAQXUIBP-HNAYVOBHSA-N 1 0 326.396 4.057 20 5 EIBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cc1F ZINC000788480031 1047197318 /nfs/dbraw/zinc/19/73/18/1047197318.db2.gz FYFRSSPQMQVIBA-OAHLLOKOSA-N 1 0 346.427 4.348 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788498261 1047203343 /nfs/dbraw/zinc/20/33/43/1047203343.db2.gz MIZYFRYZSIOOIO-VIFPVBQESA-N 1 0 340.210 4.335 20 5 EIBDRO C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788507304 1047208911 /nfs/dbraw/zinc/20/89/11/1047208911.db2.gz ZENWQNANXPRKPA-SNVBAGLBSA-N 1 0 339.317 4.047 20 5 EIBDRO CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788525923 1047225884 /nfs/dbraw/zinc/22/58/84/1047225884.db2.gz GTHMPSAUBICWIL-KBPBESRZSA-N 1 0 343.427 4.376 20 5 EIBDRO C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788574416 1047235282 /nfs/dbraw/zinc/23/52/82/1047235282.db2.gz TUJPIVCAWIKKJM-JTQLQIEISA-N 1 0 339.317 4.047 20 5 EIBDRO C[C@@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788649269 1047248536 /nfs/dbraw/zinc/24/85/36/1047248536.db2.gz RIOVPKYIICESMW-HWPZZCPQSA-N 1 0 331.803 4.169 20 5 EIBDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000788624402 1047254288 /nfs/dbraw/zinc/25/42/88/1047254288.db2.gz YCINMHFSQQZSEN-ZOCIIQOWSA-N 1 0 328.412 4.004 20 5 EIBDRO CSc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788629400 1047255096 /nfs/dbraw/zinc/25/50/96/1047255096.db2.gz UOYNRCSGZJCMCB-GFCCVEGCSA-N 1 0 331.441 4.058 20 5 EIBDRO Cc1cc([C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C2CC2)ccc1F ZINC000788685955 1047262281 /nfs/dbraw/zinc/26/22/81/1047262281.db2.gz KZYMFEJMHIAMCA-HXPMCKFVSA-N 1 0 343.402 4.426 20 5 EIBDRO C[C@H]([NH2+]C1(c2ccc(F)cc2F)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788710295 1047276654 /nfs/dbraw/zinc/27/66/54/1047276654.db2.gz HDVRHDXWDJXKPQ-NSHDSACASA-N 1 0 347.365 4.185 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000037487206 1047560997 /nfs/dbraw/zinc/56/09/97/1047560997.db2.gz YTCWQDVAQUBLBF-NSHDSACASA-N 1 0 335.201 4.208 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898323025 1047615666 /nfs/dbraw/zinc/61/56/66/1047615666.db2.gz WHTWZCJXDFYTLD-AUUYWEPGSA-N 1 0 325.412 4.052 20 5 EIBDRO CC(C)c1ccc(C[NH2+][C@H](c2ccncc2)C2CC2)cc1[N+](=O)[O-] ZINC000898324813 1047618862 /nfs/dbraw/zinc/61/88/62/1047618862.db2.gz KIZYARPANOWIPW-IBGZPJMESA-N 1 0 325.412 4.354 20 5 EIBDRO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CCCO2 ZINC000089513273 1047774065 /nfs/dbraw/zinc/77/40/65/1047774065.db2.gz AHRZBAZOTPDLBL-SFHVURJKSA-N 1 0 326.396 4.215 20 5 EIBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852852 1047882598 /nfs/dbraw/zinc/88/25/98/1047882598.db2.gz HCIOONDONFYMFB-QZTJIDSGSA-N 1 0 345.487 4.100 20 5 EIBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ccc(Cl)nc3)C2)cc1 ZINC000824820804 1047959980 /nfs/dbraw/zinc/95/99/80/1047959980.db2.gz NNLUYPFPZGTBFV-HNNXBMFYSA-N 1 0 331.803 4.023 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000814300127 1047965098 /nfs/dbraw/zinc/96/50/98/1047965098.db2.gz HHQOUBGTYJAQOI-YGUOUDRMSA-N 1 0 334.778 4.423 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C)[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000808721429 1048068345 /nfs/dbraw/zinc/06/83/45/1048068345.db2.gz MKCOPMZXQWFXLS-CCKFTAQKSA-N 1 0 328.412 4.148 20 5 EIBDRO CCC[C@H]([NH2+][C@H](C)[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000808721431 1048069688 /nfs/dbraw/zinc/06/96/88/1048069688.db2.gz MKCOPMZXQWFXLS-MDASCCDHSA-N 1 0 328.412 4.148 20 5 EIBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)nc1 ZINC000808728295 1048075188 /nfs/dbraw/zinc/07/51/88/1048075188.db2.gz NMQKPLWZHFBEDA-LLVKDONJSA-N 1 0 344.802 4.018 20 5 EIBDRO CC(C)OCCC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000556895075 1048120612 /nfs/dbraw/zinc/12/06/12/1048120612.db2.gz IYFWQCZKVZBVRH-UHFFFAOYSA-N 1 0 332.400 4.102 20 5 EIBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H](C)c1cccc(C(=O)OC)c1 ZINC001171106635 1048199271 /nfs/dbraw/zinc/19/92/71/1048199271.db2.gz NYHZYPHVYZOTDR-INIZCTEOSA-N 1 0 341.475 4.243 20 5 EIBDRO CC[C@H](c1ccccc1OC)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC001170770062 1048221660 /nfs/dbraw/zinc/22/16/60/1048221660.db2.gz XTYCDPXTVYKCMS-GOSISDBHSA-N 1 0 328.412 4.229 20 5 EIBDRO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815561442 1048510570 /nfs/dbraw/zinc/51/05/70/1048510570.db2.gz HOANAUDXXDSEDY-BLLLJJGKSA-N 1 0 343.427 4.443 20 5 EIBDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815561086 1048510792 /nfs/dbraw/zinc/51/07/92/1048510792.db2.gz XXTLVZNTOAYRDH-UONOGXRCSA-N 1 0 343.427 4.376 20 5 EIBDRO C[C@@H]([NH2+]Cc1ccc2sccc2c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627899 1048553668 /nfs/dbraw/zinc/55/36/68/1048553668.db2.gz MKMWYFPKLWLDER-LLVKDONJSA-N 1 0 327.409 4.243 20 5 EIBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000846030895 1048798429 /nfs/dbraw/zinc/79/84/29/1048798429.db2.gz FHAKLURZNAWRAG-WQVCFCJDSA-N 1 0 328.815 4.210 20 5 EIBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000846038098 1048802411 /nfs/dbraw/zinc/80/24/11/1048802411.db2.gz PBAPQPGOONTAOP-SKYCBFMCSA-N 1 0 326.799 4.292 20 5 EIBDRO Cc1ccccc1C1([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000846174174 1048825796 /nfs/dbraw/zinc/82/57/96/1048825796.db2.gz LYVZDYOECUOUEW-AWEZNQCLSA-N 1 0 325.412 4.215 20 5 EIBDRO CCOC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCCC1 ZINC000816643095 1048846421 /nfs/dbraw/zinc/84/64/21/1048846421.db2.gz VEBFGTRDXJBKED-UHFFFAOYSA-N 1 0 347.242 4.341 20 5 EIBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCc2cccc(Br)c2)c1 ZINC000609419888 1049054925 /nfs/dbraw/zinc/05/49/25/1049054925.db2.gz JJKHIKQNZBHWTO-UHFFFAOYSA-N 1 0 349.228 4.080 20 5 EIBDRO C[C@H]([NH2+]C1(CNc2cccnc2[N+](=O)[O-])CCCC1)c1ccccc1 ZINC000609449103 1049069806 /nfs/dbraw/zinc/06/98/06/1049069806.db2.gz YCQSZYCFYMQIQJ-HNNXBMFYSA-N 1 0 340.427 4.065 20 5 EIBDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811482105 1049077198 /nfs/dbraw/zinc/07/71/98/1049077198.db2.gz FXRJTKVSFDACIU-GHMZBOCLSA-N 1 0 335.256 4.275 20 5 EIBDRO CSC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCC1 ZINC000811497496 1049089981 /nfs/dbraw/zinc/08/99/81/1049089981.db2.gz PTRGSPMKMASZFE-UHFFFAOYSA-N 1 0 335.256 4.277 20 5 EIBDRO CCOCC(C)(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811507393 1049118255 /nfs/dbraw/zinc/11/82/55/1049118255.db2.gz AHFACLRWIFRYPR-UHFFFAOYSA-N 1 0 335.231 4.054 20 5 EIBDRO [NH3+]CCc1cc2ccccc2n1-c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001171304795 1049152189 /nfs/dbraw/zinc/15/21/89/1049152189.db2.gz NPJRCCHYMWUKEE-UHFFFAOYSA-N 1 0 349.312 4.059 20 5 EIBDRO CC(C)CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000609676938 1049263282 /nfs/dbraw/zinc/26/32/82/1049263282.db2.gz HTQMPTNSFFKGQS-PBHICJAKSA-N 1 0 349.475 4.362 20 5 EIBDRO CC[C@@H]([NH2+]CCNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000610008212 1049480677 /nfs/dbraw/zinc/48/06/77/1049480677.db2.gz JBWAHVIAXZKVGJ-OAHLLOKOSA-N 1 0 335.354 4.026 20 5 EIBDRO Cc1cc(F)ccc1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001170683644 1049542363 /nfs/dbraw/zinc/54/23/63/1049542363.db2.gz RPUPGLJPOBUDMT-UHFFFAOYSA-N 1 0 328.387 4.422 20 5 EIBDRO CCC[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000773112807 1049589692 /nfs/dbraw/zinc/58/96/92/1049589692.db2.gz AKKWOYGFGKZIGE-RBUKOAKNSA-N 1 0 346.402 4.072 20 5 EIBDRO CC[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000773138508 1049602411 /nfs/dbraw/zinc/60/24/11/1049602411.db2.gz LPGJVIJRQBZTPM-ZJIFWQFVSA-N 1 0 338.498 4.015 20 5 EIBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812849772 1049611708 /nfs/dbraw/zinc/61/17/08/1049611708.db2.gz JEEYNBKZLMOOTF-FZKQIMNGSA-N 1 0 348.830 4.192 20 5 EIBDRO [NH3+]C[C@H]1COc2ccccc2N1c1nc2ccccc2c2ccccc21 ZINC001171395039 1049614456 /nfs/dbraw/zinc/61/44/56/1049614456.db2.gz DEGGKHCCWYRISZ-HNNXBMFYSA-N 1 0 341.414 4.246 20 5 EIBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC(OC(C)C)CC1 ZINC000615726099 1049766097 /nfs/dbraw/zinc/76/60/97/1049766097.db2.gz SZOGCFPUKNCNEU-PTNGSMBKSA-N 1 0 332.444 4.324 20 5 EIBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC001185793846 1050160790 /nfs/dbraw/zinc/16/07/90/1050160790.db2.gz VJSNKEBKVYYCBA-NSHDSACASA-N 1 0 346.258 4.291 20 5 EIBDRO Cc1cc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)ccc1F ZINC001172900575 1050204574 /nfs/dbraw/zinc/20/45/74/1050204574.db2.gz VYRGMWSZKJBPAX-KRWDZBQOSA-N 1 0 328.387 4.080 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccc3ncccc13)CC2 ZINC001172900781 1050204777 /nfs/dbraw/zinc/20/47/77/1050204777.db2.gz ZXLVIMWXENSENY-SFHVURJKSA-N 1 0 347.418 4.180 20 5 EIBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773667090 1050205972 /nfs/dbraw/zinc/20/59/72/1050205972.db2.gz LQSUWPFZWOFVNH-CYBMUJFWSA-N 1 0 343.814 4.494 20 5 EIBDRO CC1(C)C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1(F)F ZINC001172904559 1050206839 /nfs/dbraw/zinc/20/68/39/1050206839.db2.gz OLXRQKRXMRFPTH-OAHLLOKOSA-N 1 0 338.398 4.209 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCc3ccccc31)CC2 ZINC001172906831 1050206868 /nfs/dbraw/zinc/20/68/68/1050206868.db2.gz OXVHSVQTHXWCLJ-RBUKOAKNSA-N 1 0 336.435 4.162 20 5 EIBDRO Cc1ccc(CCC[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)s1 ZINC001172896100 1050231269 /nfs/dbraw/zinc/23/12/69/1050231269.db2.gz LQVIUUSWJYQDNQ-KRWDZBQOSA-N 1 0 344.480 4.435 20 5 EIBDRO C[N@H+](CCc1ccccc1F)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913715 1050231679 /nfs/dbraw/zinc/23/16/79/1050231679.db2.gz UKEDVAYUXDVAHY-SFHVURJKSA-N 1 0 342.414 4.156 20 5 EIBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000181587403 1050231628 /nfs/dbraw/zinc/23/16/28/1050231628.db2.gz ARAVVYRBSFDQSK-ZDUSSCGKSA-N 1 0 344.386 4.374 20 5 EIBDRO C[N@H+](Cc1cccc(F)c1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910402 1050245620 /nfs/dbraw/zinc/24/56/20/1050245620.db2.gz ZBVHCXNHJQGQLF-GOSISDBHSA-N 1 0 328.387 4.113 20 5 EIBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@H]1c1ccccn1)CC2 ZINC001172912628 1050245962 /nfs/dbraw/zinc/24/59/62/1050245962.db2.gz BZOGHFRKZPCBKF-PXNSSMCTSA-N 1 0 337.423 4.074 20 5 EIBDRO Cc1ccc(OCCC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC001177575969 1050257868 /nfs/dbraw/zinc/25/78/68/1050257868.db2.gz QBTHBUJLGAQASE-UHFFFAOYSA-N 1 0 328.412 4.079 20 5 EIBDRO CC[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181647141 1050281045 /nfs/dbraw/zinc/28/10/45/1050281045.db2.gz JPMUAJJEXRRXGW-MOPGFXCFSA-N 1 0 340.423 4.149 20 5 EIBDRO Cc1cc(Br)cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000775010853 1050299826 /nfs/dbraw/zinc/29/98/26/1050299826.db2.gz GDPKYTKUKHVBNX-UHFFFAOYSA-N 1 0 349.228 4.264 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001177869977 1050306565 /nfs/dbraw/zinc/30/65/65/1050306565.db2.gz GEAOFSBBNFSFHL-MAUKXSAKSA-N 1 0 334.460 4.143 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccc(C)c(C)c2)c1F ZINC001173175534 1050335431 /nfs/dbraw/zinc/33/54/31/1050335431.db2.gz PDVBWSKZMKXDGB-CQSZACIVSA-N 1 0 346.402 4.080 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)Cc2ccccc2C)c1F ZINC001173189915 1050337449 /nfs/dbraw/zinc/33/74/49/1050337449.db2.gz OSXLZZYMLQXTKZ-AWEZNQCLSA-N 1 0 346.402 4.114 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC23CCCCC3)c1F ZINC001173182833 1050337876 /nfs/dbraw/zinc/33/78/76/1050337876.db2.gz UMJOWDJDEIDLSM-ZDUSSCGKSA-N 1 0 336.407 4.082 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C)c2cccc(C)c2)c1F ZINC001173180920 1050338035 /nfs/dbraw/zinc/33/80/35/1050338035.db2.gz ZOXSFBDFPNZCGI-UONOGXRCSA-N 1 0 346.402 4.333 20 5 EIBDRO CCC[N@H+](CC(C)C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194289 1050339688 /nfs/dbraw/zinc/33/96/88/1050339688.db2.gz ZBZDBLYARUTQNH-ZDUSSCGKSA-N 1 0 326.412 4.042 20 5 EIBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)CC2CCCCC2)c1F ZINC001173195175 1050341005 /nfs/dbraw/zinc/34/10/05/1050341005.db2.gz CURLIWVZAPZQRR-ZDUSSCGKSA-N 1 0 338.423 4.186 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1c2ccccc2c2c1C[C@@H]([NH3+])CC2 ZINC001173216560 1050349685 /nfs/dbraw/zinc/34/96/85/1050349685.db2.gz CWIBMRORITTYDE-HOCLYGCPSA-N 1 0 349.434 4.169 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001173216189 1050351363 /nfs/dbraw/zinc/35/13/63/1050351363.db2.gz LGBXTFUVYXLJAR-LBPRGKRZSA-N 1 0 338.329 4.334 20 5 EIBDRO COc1cccc(C(C)(C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173221417 1050354973 /nfs/dbraw/zinc/35/49/73/1050354973.db2.gz NBIWHIPMRSSMKQ-AWEZNQCLSA-N 1 0 328.412 4.059 20 5 EIBDRO COc1ccccc1C(C)(C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173221642 1050355141 /nfs/dbraw/zinc/35/51/41/1050355141.db2.gz OGEARZHKMUAXFY-CQSZACIVSA-N 1 0 328.412 4.059 20 5 EIBDRO CC(C)C[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001173222066 1050355552 /nfs/dbraw/zinc/35/55/52/1050355552.db2.gz SUHVDWPIGVNJDG-DNVCBOLYSA-N 1 0 327.428 4.298 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(Cc2ccc(F)cc2)CCC1 ZINC001173224266 1050355778 /nfs/dbraw/zinc/35/57/78/1050355778.db2.gz MXZLREPZLLRLKN-HNNXBMFYSA-N 1 0 342.414 4.420 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC001173228398 1050357195 /nfs/dbraw/zinc/35/71/95/1050357195.db2.gz VWJRYGBONXNMDD-DNVCBOLYSA-N 1 0 342.464 4.316 20 5 EIBDRO COc1ccc(CC(C)(C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173224811 1050357502 /nfs/dbraw/zinc/35/75/02/1050357502.db2.gz PCCIILJBOYDKJI-OAHLLOKOSA-N 1 0 342.439 4.145 20 5 EIBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC001173231624 1050360536 /nfs/dbraw/zinc/36/05/36/1050360536.db2.gz BKFYAQBUKUVQCR-NXOUGTEYSA-N 1 0 330.815 4.325 20 5 EIBDRO CC[N@H+](Cc1cccc(OC)c1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173234604 1050361683 /nfs/dbraw/zinc/36/16/83/1050361683.db2.gz SKLGOMUZDQHRQT-OAHLLOKOSA-N 1 0 328.412 4.057 20 5 EIBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001173234120 1050362122 /nfs/dbraw/zinc/36/21/22/1050362122.db2.gz NAKVRFGJJHXGAM-BBATYDOGSA-N 1 0 332.350 4.081 20 5 EIBDRO COc1ccccc1[C@@H](C)[N@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173234204 1050363354 /nfs/dbraw/zinc/36/33/54/1050363354.db2.gz PVJXTSDXYMNHDI-HUUCEWRRSA-N 1 0 328.412 4.227 20 5 EIBDRO COc1cccc([C@@H]2CCC[N@@H+]2[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173234803 1050363580 /nfs/dbraw/zinc/36/35/80/1050363580.db2.gz UEQFQWHXKYFOEF-YWZLYKJASA-N 1 0 340.423 4.372 20 5 EIBDRO CC(C)(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCO1 ZINC000618572078 1050413421 /nfs/dbraw/zinc/41/34/21/1050413421.db2.gz TZMNYQOSPCYSPJ-MSOLQXFVSA-N 1 0 332.444 4.157 20 5 EIBDRO Cc1ccc2cc(C[NH2+]CCc3ccc(Cl)cc3[N+](=O)[O-])[nH]c2c1 ZINC001178326293 1050447278 /nfs/dbraw/zinc/44/72/78/1050447278.db2.gz IGKZMKIVRUHRNJ-UHFFFAOYSA-N 1 0 343.814 4.370 20 5 EIBDRO C[C@H]1C[C@@H]1C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001178561094 1050506890 /nfs/dbraw/zinc/50/68/90/1050506890.db2.gz FMQUTLRHBOSRSG-NHYWBVRUSA-N 1 0 343.386 4.160 20 5 EIBDRO CCc1cccc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC001178634960 1050522980 /nfs/dbraw/zinc/52/29/80/1050522980.db2.gz ZCIYZXLBRIKKIS-UHFFFAOYSA-N 1 0 338.329 4.466 20 5 EIBDRO C[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000618984989 1050611951 /nfs/dbraw/zinc/61/19/51/1050611951.db2.gz VVFOLPNEHLNDKN-UGSOOPFHSA-N 1 0 325.412 4.106 20 5 EIBDRO CC1(C)C[C@H](Nc2cnn(-c3cc[nH+]cc3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000618988718 1050622005 /nfs/dbraw/zinc/62/20/05/1050622005.db2.gz WJCSRINHTVTNGP-SFHVURJKSA-N 1 0 349.394 4.010 20 5 EIBDRO CC[NH+](CC)CC[C@H](C)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001187926547 1050650368 /nfs/dbraw/zinc/65/03/68/1050650368.db2.gz LMWNNQNIOGUMQD-NSHDSACASA-N 1 0 333.354 4.146 20 5 EIBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCOC1 ZINC001179433013 1050691021 /nfs/dbraw/zinc/69/10/21/1050691021.db2.gz LJXLAFWBOWWDAW-YJBOKZPZSA-N 1 0 344.411 4.150 20 5 EIBDRO CCOc1ccc2c(c1)C[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)CC2 ZINC001179989747 1050842315 /nfs/dbraw/zinc/84/23/15/1050842315.db2.gz VJDTYQZIFCILTC-UHFFFAOYSA-N 1 0 340.423 4.169 20 5 EIBDRO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001180092176 1050866674 /nfs/dbraw/zinc/86/66/74/1050866674.db2.gz KJMYLPGZUYFTNZ-OXJNMPFZSA-N 1 0 344.455 4.430 20 5 EIBDRO C[C@H](c1ccccc1Cl)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001190418254 1051178500 /nfs/dbraw/zinc/17/85/00/1051178500.db2.gz YBDHJRUNZLGLGC-CYBMUJFWSA-N 1 0 334.803 4.320 20 5 EIBDRO CC(C)c1ccc(O[C@H](C)C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC001181601035 1051257071 /nfs/dbraw/zinc/25/70/71/1051257071.db2.gz ONKGPVTZDVUQLN-CQSZACIVSA-N 1 0 346.402 4.414 20 5 EIBDRO Cc1ccccc1[C@@H](C)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC001175035360 1051327267 /nfs/dbraw/zinc/32/72/67/1051327267.db2.gz GHZGQGLKJLUFNE-MRXNPFEDSA-N 1 0 328.412 4.365 20 5 EIBDRO C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001182182848 1051412338 /nfs/dbraw/zinc/41/23/38/1051412338.db2.gz FTUVYVUGUJIMKH-QWHCGFSZSA-N 1 0 331.416 4.383 20 5 EIBDRO COc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C2CC2)cc1 ZINC000131038775 1051473538 /nfs/dbraw/zinc/47/35/38/1051473538.db2.gz NUZVGRGJJQGVIU-GOSISDBHSA-N 1 0 346.814 4.498 20 5 EIBDRO COc1cccc(CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC001192392459 1051720604 /nfs/dbraw/zinc/72/06/04/1051720604.db2.gz ZZWPXGGHIKJRDR-UHFFFAOYSA-N 1 0 340.423 4.201 20 5 EIBDRO CO[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC001183059923 1051781857 /nfs/dbraw/zinc/78/18/57/1051781857.db2.gz QMNSUKFKRLALTN-IMFGXOCKSA-N 1 0 346.471 4.101 20 5 EIBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001192745091 1051800903 /nfs/dbraw/zinc/80/09/03/1051800903.db2.gz LNZVDKBIXBLOIU-UGSOOPFHSA-N 1 0 348.830 4.422 20 5 EIBDRO Cc1ccccc1[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC001192791054 1051817411 /nfs/dbraw/zinc/81/74/11/1051817411.db2.gz FQBUVSOEPMHAPO-IBGZPJMESA-N 1 0 328.412 4.269 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(F)c2cccnc12)c1ccccc1[N+](=O)[O-] ZINC001175890767 1051817989 /nfs/dbraw/zinc/81/79/89/1051817989.db2.gz PTXZKFMKNXKPRB-LBPRGKRZSA-N 1 0 325.343 4.133 20 5 EIBDRO CCC[N@H+](CCc1cccs1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001193141758 1051879068 /nfs/dbraw/zinc/87/90/68/1051879068.db2.gz NOAGCTJQBVBNNR-UHFFFAOYSA-N 1 0 340.395 4.389 20 5 EIBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC001193499148 1051935053 /nfs/dbraw/zinc/93/50/53/1051935053.db2.gz YNDMDGZDHXLUPD-CRAIPNDOSA-N 1 0 347.459 4.036 20 5 EIBDRO C[C@H](C[NH2+]CC(C)(C)Oc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001184046898 1051946959 /nfs/dbraw/zinc/94/69/59/1051946959.db2.gz YFMFMNJMZCMPAZ-OAHLLOKOSA-N 1 0 328.412 4.146 20 5 EIBDRO C[C@@H]1CC[C@H]([NH2+]Cc2c(Br)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC001193649800 1051966564 /nfs/dbraw/zinc/96/65/64/1051966564.db2.gz XPGPLBSFFJXYKY-GYSYKLTISA-N 1 0 341.249 4.272 20 5 EIBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)cs1 ZINC000184465867 1051993415 /nfs/dbraw/zinc/99/34/15/1051993415.db2.gz OUUKYLYJCHOPKW-GFCCVEGCSA-N 1 0 349.456 4.078 20 5 EIBDRO Cc1ccc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)c(C)c1 ZINC001194074593 1052070069 /nfs/dbraw/zinc/07/00/69/1052070069.db2.gz YBPAJLKYLXTIKO-INIZCTEOSA-N 1 0 328.387 4.340 20 5 EIBDRO C[C@H]1CCC[N@H+](CCCCNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001184873254 1052122425 /nfs/dbraw/zinc/12/24/25/1052122425.db2.gz ADTUECQYGFHFRV-HNNXBMFYSA-N 1 0 342.443 4.067 20 5 EIBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)cc1 ZINC001176641221 1052150258 /nfs/dbraw/zinc/15/02/58/1052150258.db2.gz QQRFPNBFCQOHIR-GIFJBRJJSA-N 1 0 338.407 4.151 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)cnc1NCCCCCCC[NH+]1CCCC1 ZINC001185046935 1052160573 /nfs/dbraw/zinc/16/05/73/1052160573.db2.gz XWDQYZJNIDPIAX-UHFFFAOYSA-N 1 0 340.855 4.101 20 5 EIBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001185097680 1052166268 /nfs/dbraw/zinc/16/62/68/1052166268.db2.gz BBVIPTTYLKXHEC-HNNXBMFYSA-N 1 0 342.443 4.210 20 5 EIBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC001194598691 1052174191 /nfs/dbraw/zinc/17/41/91/1052174191.db2.gz DEGVWBOEIVEMOF-LBPRGKRZSA-N 1 0 334.778 4.377 20 5 EIBDRO O=[N+]([O-])c1ccc2oc(C[N@H+](C3CC3)[C@@H]3CCc4ccccc43)nc2c1 ZINC000083169189 1052844447 /nfs/dbraw/zinc/84/44/47/1052844447.db2.gz PEXZDHWIXKRGQL-GOSISDBHSA-N 1 0 349.390 4.388 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC001194905789 1053156180 /nfs/dbraw/zinc/15/61/80/1053156180.db2.gz LMFZVMJKNUAVPP-KUHUBIRLSA-N 1 0 348.443 4.018 20 5 EIBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000850457597 1053233252 /nfs/dbraw/zinc/23/32/52/1053233252.db2.gz KNWHEGSELZDGDW-QMTHXVAHSA-N 1 0 347.440 4.097 20 5 EIBDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000776582774 1053561059 /nfs/dbraw/zinc/56/10/59/1053561059.db2.gz BUIPVLGNLWJTQM-WOJBJXKFSA-N 1 0 340.423 4.082 20 5 EIBDRO Cc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000776584729 1053561730 /nfs/dbraw/zinc/56/17/30/1053561730.db2.gz PKNBHDZLXTVBIS-QZTJIDSGSA-N 1 0 344.411 4.147 20 5 EIBDRO CC[C@@H](c1ccccc1)[N@H+](CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580272 1053564421 /nfs/dbraw/zinc/56/44/21/1053564421.db2.gz RWGKIXYCYSAHIX-OALUTQOASA-N 1 0 328.412 4.101 20 5 EIBDRO CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000765473805 1053564593 /nfs/dbraw/zinc/56/45/93/1053564593.db2.gz JJZFKHYSJWOZRT-UONOGXRCSA-N 1 0 348.468 4.381 20 5 EIBDRO Cc1cccc([C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C)c1 ZINC000776605309 1053592318 /nfs/dbraw/zinc/59/23/18/1053592318.db2.gz KHGCDITVASXAEP-MOPGFXCFSA-N 1 0 342.439 4.314 20 5 EIBDRO Cc1ccc(C[NH2+]Cc2cscc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000865787487 1053593833 /nfs/dbraw/zinc/59/38/33/1053593833.db2.gz OATFOUCNOZHSCM-UHFFFAOYSA-N 1 0 330.331 4.273 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC001196263045 1053622307 /nfs/dbraw/zinc/62/23/07/1053622307.db2.gz LQQOCFFVVJHAQW-CQSZACIVSA-N 1 0 343.402 4.378 20 5 EIBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000866311850 1053686259 /nfs/dbraw/zinc/68/62/59/1053686259.db2.gz KIEMAKKNTONKSI-ZUZCIYMTSA-N 1 0 335.379 4.011 20 5 EIBDRO CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000866540383 1053775735 /nfs/dbraw/zinc/77/57/35/1053775735.db2.gz NFOAHEGWPCZRRJ-CYBMUJFWSA-N 1 0 331.441 4.089 20 5 EIBDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)ccc1SC ZINC000866538497 1053776597 /nfs/dbraw/zinc/77/65/97/1053776597.db2.gz APSZGLGGBGJCAO-CYBMUJFWSA-N 1 0 346.452 4.485 20 5 EIBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000866620891 1053809288 /nfs/dbraw/zinc/80/92/88/1053809288.db2.gz NUUCCJOZSHHPGK-STQMWFEESA-N 1 0 325.368 4.456 20 5 EIBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCC3(CCCCC3)C2)c2c(c1)COCO2 ZINC000552256524 1053844395 /nfs/dbraw/zinc/84/43/95/1053844395.db2.gz OXIMLVJRKYEFFL-UHFFFAOYSA-N 1 0 346.427 4.008 20 5 EIBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000121794706 1053847910 /nfs/dbraw/zinc/84/79/10/1053847910.db2.gz FWOXDNGBUUWYTL-AEFFLSMTSA-N 1 0 344.411 4.056 20 5 EIBDRO Cc1cc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000301402483 1053871371 /nfs/dbraw/zinc/87/13/71/1053871371.db2.gz DBHHFAZWGOOULM-KBXCAEBGSA-N 1 0 345.468 4.460 20 5 EIBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cccs1 ZINC000301427588 1053928093 /nfs/dbraw/zinc/92/80/93/1053928093.db2.gz PLKQTCYXFUCXKV-SJKOYZFVSA-N 1 0 349.431 4.290 20 5 EIBDRO CC(C)(C)OC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001197639729 1053969311 /nfs/dbraw/zinc/96/93/11/1053969311.db2.gz TUEVHPIQZAKLRF-CYBMUJFWSA-N 1 0 326.824 4.028 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2ccc3[nH]ccc3c2)CC1 ZINC001198441299 1054157838 /nfs/dbraw/zinc/15/78/38/1054157838.db2.gz OUVNIIMUGBOMQS-UHFFFAOYSA-N 1 0 335.407 4.456 20 5 EIBDRO COc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)c1 ZINC000872018828 1054333725 /nfs/dbraw/zinc/33/37/25/1054333725.db2.gz QHRNMXPRCJVFSW-GFCCVEGCSA-N 1 0 332.425 4.176 20 5 EIBDRO COCc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)c1 ZINC000872022243 1054337678 /nfs/dbraw/zinc/33/76/78/1054337678.db2.gz IILOLWVACYGILP-ZDUSSCGKSA-N 1 0 346.452 4.314 20 5 EIBDRO Cc1csc(CCCC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872031212 1054346891 /nfs/dbraw/zinc/34/68/91/1054346891.db2.gz HSPMFIPWADVMHC-LBPRGKRZSA-N 1 0 337.420 4.172 20 5 EIBDRO C[C@H](NC1CC[NH+](C2CCCCC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872039169 1054354371 /nfs/dbraw/zinc/35/43/71/1054354371.db2.gz CGOFGWADYPDFBC-AWEZNQCLSA-N 1 0 349.450 4.182 20 5 EIBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC001199170347 1054357134 /nfs/dbraw/zinc/35/71/34/1054357134.db2.gz GGVPHNODSRJKSA-UHFFFAOYSA-N 1 0 328.412 4.289 20 5 EIBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1cnc(C)s1 ZINC000872094094 1054386863 /nfs/dbraw/zinc/38/68/63/1054386863.db2.gz YVMCYGRMQIWOOA-VHSXEESVSA-N 1 0 337.470 4.493 20 5 EIBDRO Cc1c(C[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000873104260 1054485819 /nfs/dbraw/zinc/48/58/19/1054485819.db2.gz LDWDBBKCFUDOAY-MJGOQNOKSA-N 1 0 344.386 4.052 20 5 EIBDRO Cc1cccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)C)c1 ZINC000859853247 1054743240 /nfs/dbraw/zinc/74/32/40/1054743240.db2.gz PPFDEYXTOWDFFT-SFHVURJKSA-N 1 0 343.383 4.298 20 5 EIBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(C)ccc1C ZINC000859937118 1054752645 /nfs/dbraw/zinc/75/26/45/1054752645.db2.gz TVIVXPNINFMRNJ-QGZVFWFLSA-N 1 0 343.383 4.361 20 5 EIBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1nccc2ccccc21 ZINC001201693085 1054891937 /nfs/dbraw/zinc/89/19/37/1054891937.db2.gz JFCAHCUDKPDPOZ-UHFFFAOYSA-N 1 0 341.798 4.129 20 5 EIBDRO Nc1ccc2cc3ccc(Nc4cnn(C(F)F)c4)cc3[nH+]c2c1 ZINC001201742276 1054892908 /nfs/dbraw/zinc/89/29/08/1054892908.db2.gz PSXHEAKIZBOEJY-UHFFFAOYSA-N 1 0 325.322 4.305 20 5 EIBDRO Cc1cc(C(F)(F)F)ccc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC001201822713 1054925671 /nfs/dbraw/zinc/92/56/71/1054925671.db2.gz PBLKCUIKSLTUEH-UHFFFAOYSA-N 1 0 338.329 4.254 20 5 EIBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccccn2)C2CCC2)cc1Cl ZINC000862478002 1055072745 /nfs/dbraw/zinc/07/27/45/1055072745.db2.gz PXOIHDQPKCHNFC-KRWDZBQOSA-N 1 0 331.803 4.274 20 5 EIBDRO CO[C@H]([C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC001202408865 1055159688 /nfs/dbraw/zinc/15/96/88/1055159688.db2.gz SZJJYMQALXMMHN-KZULUSFZSA-N 1 0 346.452 4.226 20 5 EIBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878420912 1055302679 /nfs/dbraw/zinc/30/26/79/1055302679.db2.gz RNQDSDGQQPHPSC-UKRRQHHQSA-N 1 0 344.415 4.093 20 5 EIBDRO CC[C@@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000765819009 1055563676 /nfs/dbraw/zinc/56/36/76/1055563676.db2.gz TXDXOYCCBNMGDV-QZTJIDSGSA-N 1 0 348.830 4.197 20 5 EIBDRO CC[C@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000765819011 1055565011 /nfs/dbraw/zinc/56/50/11/1055565011.db2.gz TXDXOYCCBNMGDV-ROUUACIJSA-N 1 0 348.830 4.197 20 5 EIBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000273502643 1055890105 /nfs/dbraw/zinc/89/01/05/1055890105.db2.gz PJXPSQSQNKPHSP-PKOBYXMFSA-N 1 0 344.386 4.052 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000554360294 1056063087 /nfs/dbraw/zinc/06/30/87/1056063087.db2.gz PFEWWJHSGJUYDO-YQQAZPJKSA-N 1 0 334.485 4.039 20 5 EIBDRO C[C@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000273708985 1056090051 /nfs/dbraw/zinc/09/00/51/1056090051.db2.gz DXUJHTPKPIXBQA-IJNIYJAUSA-N 1 0 340.423 4.076 20 5 EIBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000744195626 1059323320 /nfs/dbraw/zinc/32/33/20/1059323320.db2.gz MPRAYVCPZPPJPJ-LJQANCHMSA-N 1 0 338.407 4.255 20 5 EIBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000766470348 1060374723 /nfs/dbraw/zinc/37/47/23/1060374723.db2.gz DNZJXCRKGKMSTK-OAQYLSRUSA-N 1 0 348.402 4.085 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCC(c2ccccc2)c2ccccc2)C1 ZINC001168977042 1060548426 /nfs/dbraw/zinc/54/84/26/1060548426.db2.gz HEMBOICLLYZHOV-PXNSSMCTSA-N 1 0 338.451 4.244 20 5 EIBDRO CC(C)([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC001168984435 1060555458 /nfs/dbraw/zinc/55/54/58/1060555458.db2.gz NUEPEPXATUHCHK-JQWIXIFHSA-N 1 0 331.243 4.264 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccccc2-c2ccc(F)cc2)C1 ZINC001168966854 1060557835 /nfs/dbraw/zinc/55/78/35/1060557835.db2.gz LRWAVRWOUUYVEN-KSSFIOAISA-N 1 0 328.387 4.028 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC001168993360 1060567375 /nfs/dbraw/zinc/56/73/75/1060567375.db2.gz MWSOCLHHIWVLPD-DNVCBOLYSA-N 1 0 328.387 4.028 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC001168998807 1060570700 /nfs/dbraw/zinc/57/07/00/1060570700.db2.gz QGDSELXHZWAQLA-GDIGMMSISA-N 1 0 344.842 4.464 20 5 EIBDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168997921 1060571503 /nfs/dbraw/zinc/57/15/03/1060571503.db2.gz GPOKHIMMJFTGRW-HIFRSBDPSA-N 1 0 344.377 4.062 20 5 EIBDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168997925 1060572254 /nfs/dbraw/zinc/57/22/54/1060572254.db2.gz GPOKHIMMJFTGRW-ZFWWWQNUSA-N 1 0 344.377 4.062 20 5 EIBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(CCCc3ccccc3)CC2)C1 ZINC001169006400 1060574672 /nfs/dbraw/zinc/57/46/72/1060574672.db2.gz HRVCMJHLGJECLP-PMACEKPBSA-N 1 0 330.472 4.167 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2Cl)C1 ZINC001168988365 1060584358 /nfs/dbraw/zinc/58/43/58/1060584358.db2.gz RGWPNHUVHNHZQF-LDYMZIIASA-N 1 0 337.634 4.182 20 5 EIBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+](CCc2ccccc2)Cc2ccccc2)C1 ZINC001169039304 1060594571 /nfs/dbraw/zinc/59/45/71/1060594571.db2.gz PKYPRGWLLIOVFM-RTWAWAEBSA-N 1 0 338.451 4.177 20 5 EIBDRO CC1(C)C[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169137237 1060653376 /nfs/dbraw/zinc/65/33/76/1060653376.db2.gz JESLXHUKNLYQOD-ORAYPTAESA-N 1 0 342.443 4.099 20 5 EIBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc2ncccc2c1[N+](=O)[O-] ZINC001169693073 1060902510 /nfs/dbraw/zinc/90/25/10/1060902510.db2.gz VPVFNOBBIRYPHT-INIZCTEOSA-N 1 0 348.406 4.383 20 5 EIBDRO CCOc1ccccc1OCCNc1ccccc1C[N+](C)(C)CC ZINC001169785801 1060970723 /nfs/dbraw/zinc/97/07/23/1060970723.db2.gz JKTOULUNISJTFK-UHFFFAOYSA-N 1 0 343.491 4.173 20 5 EIBDRO C[C@H]([NH2+]Cc1ccc(Br)s1)c1cccc([N+](=O)[O-])c1 ZINC000037775510 213165896 /nfs/dbraw/zinc/16/58/96/213165896.db2.gz BPDSTFWODITDPJ-VIFPVBQESA-N 1 0 341.230 4.270 20 5 EIBDRO