smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@H]1CCC2(C[C@H]1Sc1ccc([N+](=O)[O-])cc1)OCCO2 ZINC000081805112 192326639 /nfs/dbraw/zinc/32/66/39/192326639.db2.gz FUVDFGNSJRCJBW-QWHCGFSZSA-N 1 0 310.375 2.310 10 5 DEBERO CC1(C)CC[C@@H]([NH3+])[C@H](S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000081943029 192344187 /nfs/dbraw/zinc/34/41/87/192344187.db2.gz ANVNRRXLPPHUBU-ZWNOBZJWSA-N 1 0 312.391 2.275 10 5 DEBERO CCC[C@H](C[NH3+])Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000087405363 185223976 /nfs/dbraw/zinc/22/39/76/185223976.db2.gz LJVOHYOCRKFUIO-MRVPVSSYSA-N 1 0 303.160 2.292 10 5 DEBERO CCN(Cc1ccc([N+](=O)[O-])cc1Br)C1C[NH2+]C1 ZINC000090292016 185289576 /nfs/dbraw/zinc/28/95/76/185289576.db2.gz HPJYVZPCYYIAHN-UHFFFAOYSA-N 1 0 314.183 2.151 10 5 DEBERO O=[N+]([O-])c1ccc(Br)cc1NC[C@@H]1CC[NH2+]C1 ZINC000133833614 186012872 /nfs/dbraw/zinc/01/28/72/186012872.db2.gz XHYNCNHDAZWSIW-MRVPVSSYSA-N 1 0 300.156 2.379 10 5 DEBERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149230526 186048522 /nfs/dbraw/zinc/04/85/22/186048522.db2.gz CFDLDQRCRYFJIR-SNVBAGLBSA-N 1 0 311.769 2.272 10 5 DEBERO CCCC[C@@H](C[NH3+])NC(=O)c1c(F)ccc([N+](=O)[O-])c1F ZINC000150251664 186055883 /nfs/dbraw/zinc/05/58/83/186055883.db2.gz NQWABGFHUBBOKV-QMMMGPOBSA-N 1 0 301.293 2.120 10 5 DEBERO C[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CN1CCOCC1 ZINC000173432950 198214900 /nfs/dbraw/zinc/21/49/00/198214900.db2.gz ONONCMFRACQHFP-ZIAGYGMSSA-N 1 0 307.394 2.214 10 5 DEBERO CCc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000174235998 198308762 /nfs/dbraw/zinc/30/87/62/198308762.db2.gz YVFRLMLMERPYRB-SWLSCSKDSA-N 1 0 317.389 2.466 10 5 DEBERO COc1cccc(F)c1[C@@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000179891445 356036336 /nfs/dbraw/zinc/03/63/36/356036336.db2.gz OYQOEKCUECYBRJ-SNVBAGLBSA-N 1 0 308.313 2.290 10 5 DEBERO C[C@@H]([NH3+])C[C@@H](C)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000320929731 356447902 /nfs/dbraw/zinc/44/79/02/356447902.db2.gz SGAKFKBQKBIHMU-RNFRBKRXSA-N 1 0 303.160 2.290 10 5 DEBERO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000588820304 357426133 /nfs/dbraw/zinc/42/61/33/357426133.db2.gz VRLIPPHVWNQHQM-YPMHNXCESA-N 1 0 307.398 2.183 10 5 DEBERO COCC[NH+]1CCC(Nc2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611616656 361645307 /nfs/dbraw/zinc/64/53/07/361645307.db2.gz KWAAFUVGYNFOJS-UHFFFAOYSA-N 1 0 308.382 2.129 10 5 DEBERO Cc1cc(N2C[C@@H]3COC[C@H](C2)O3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000619747450 363870453 /nfs/dbraw/zinc/87/04/53/363870453.db2.gz HNMGVBJZTWXDLG-BETUJISGSA-N 1 0 315.329 2.055 10 5 DEBERO C[NH2+]C[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000092133845 193166667 /nfs/dbraw/zinc/16/66/67/193166667.db2.gz XZEUVWVNOCMZTJ-ZETCQYMHSA-N 1 0 305.256 2.408 10 5 DEBERO O=C1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1 ZINC000093101656 193203344 /nfs/dbraw/zinc/20/33/44/193203344.db2.gz OZRIRKXOYCHNCH-UHFFFAOYSA-N 1 0 315.329 2.177 10 5 DEBERO O=[N+]([O-])c1cnc(NCCC[NH2+]C2CC2)c(Br)c1 ZINC000093434253 193250576 /nfs/dbraw/zinc/25/05/76/193250576.db2.gz QKVPBYHZNKLRAY-UHFFFAOYSA-N 1 0 315.171 2.306 10 5 DEBERO C[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2ccccc2[N+](=O)[O-])C1 ZINC000093776256 193304948 /nfs/dbraw/zinc/30/49/48/193304948.db2.gz QIUGJTYDAWKVCW-IINYFYTJSA-N 1 0 309.391 2.073 10 5 DEBERO O=C(c1csc([N+](=O)[O-])c1)N(CC1CC[NH2+]CC1)C1CC1 ZINC000094023515 193339290 /nfs/dbraw/zinc/33/92/90/193339290.db2.gz GFQJWRHOSDXFQL-UHFFFAOYSA-N 1 0 309.391 2.261 10 5 DEBERO CC[NH2+]CCC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094188662 193347766 /nfs/dbraw/zinc/34/77/66/193347766.db2.gz HCLHZDNQVYAJSU-UHFFFAOYSA-N 1 0 316.155 2.295 10 5 DEBERO CC[C@](C)([NH3+])C(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000094233540 193352732 /nfs/dbraw/zinc/35/27/32/193352732.db2.gz JYQMVYAQPNEXDW-NSHDSACASA-N 1 0 316.155 2.423 10 5 DEBERO CC(C)(C)Nc1ncnc(NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000040581639 183104945 /nfs/dbraw/zinc/10/49/45/183104945.db2.gz WGEBXUDJCLQLFN-UHFFFAOYSA-N 1 0 322.413 2.493 10 5 DEBERO C[C@@H](C[NH3+])CC(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159462319 197354998 /nfs/dbraw/zinc/35/49/98/197354998.db2.gz AGTKUFSEOFGKLZ-SSDOTTSWSA-N 1 0 316.155 2.281 10 5 DEBERO C[NH2+]C[C@@H](C)OCc1ccc([N+](=O)[O-])cc1Br ZINC000051842752 183838961 /nfs/dbraw/zinc/83/89/61/183838961.db2.gz XYOFVCFTTVJRRJ-MRVPVSSYSA-N 1 0 303.156 2.482 10 5 DEBERO C[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000110694803 194350555 /nfs/dbraw/zinc/35/05/55/194350555.db2.gz LJSFBKIGMNHNTC-VIFPVBQESA-N 1 0 314.183 2.498 10 5 DEBERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054647095 183947043 /nfs/dbraw/zinc/94/70/43/183947043.db2.gz YBMDTWIRWIBUHP-ZDUSSCGKSA-N 1 0 322.409 2.167 10 5 DEBERO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605848 184177564 /nfs/dbraw/zinc/17/75/64/184177564.db2.gz NXKHVEQBAYFRSY-VMPITWQZSA-N 1 0 315.373 2.305 10 5 DEBERO COCC[NH2+]Cc1ccc(OC/C=C/Cl)c([N+](=O)[O-])c1 ZINC000062730732 184251621 /nfs/dbraw/zinc/25/16/21/184251621.db2.gz NMRUBXLDMZZJCU-GORDUTHDSA-N 1 0 300.742 2.462 10 5 DEBERO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000270307422 208381760 /nfs/dbraw/zinc/38/17/60/208381760.db2.gz RQRCHRDLCLSFGW-CHWSQXEVSA-N 1 0 301.350 2.186 10 5 DEBERO O=[N+]([O-])c1cc(F)c(Br)cc1OC[C@@H]1CC[NH2+]C1 ZINC000158811437 197303047 /nfs/dbraw/zinc/30/30/47/197303047.db2.gz QIAAMHRUIRLGGV-SSDOTTSWSA-N 1 0 319.130 2.485 10 5 DEBERO C[C@H]([NH3+])[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)CCO1 ZINC000156551062 197123035 /nfs/dbraw/zinc/12/30/35/197123035.db2.gz PYHIGSXYHPQFJU-QPUJVOFHSA-N 1 0 301.293 2.085 10 5 DEBERO CC[C@@H](CO)[NH2+]Cc1cc(Br)ccc1[N+](=O)[O-] ZINC000122035686 195393485 /nfs/dbraw/zinc/39/34/85/195393485.db2.gz YJKPZMVHWOHSIQ-JTQLQIEISA-N 1 0 303.156 2.218 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188678002 145015553 /nfs/dbraw/zinc/01/55/53/145015553.db2.gz OAAKVTZOVVNSMW-UHFFFAOYSA-N 1 0 311.341 2.436 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246207227 145094577 /nfs/dbraw/zinc/09/45/77/145094577.db2.gz YHRIRDMPVMKPJX-PVAVHDDUSA-N 1 0 319.405 2.187 10 5 DEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246763053 145113124 /nfs/dbraw/zinc/11/31/24/145113124.db2.gz LIVRNYWKMMMLMQ-XJKSGUPXSA-N 1 0 319.405 2.326 10 5 DEBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000261795656 145227320 /nfs/dbraw/zinc/22/73/20/145227320.db2.gz UHSWGGGOKRSKLH-QEJZJMRPSA-N 1 0 317.389 2.474 10 5 DEBERO CO[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C[NH3+])C1 ZINC000262032196 145255385 /nfs/dbraw/zinc/25/53/85/145255385.db2.gz XGUBWURDRDECOR-RYUDHWBXSA-N 1 0 313.785 2.186 10 5 DEBERO CO[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000262032194 145255483 /nfs/dbraw/zinc/25/54/83/145255483.db2.gz XGUBWURDRDECOR-NEPJUHHUSA-N 1 0 313.785 2.186 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113230014 401771388 /nfs/dbraw/zinc/77/13/88/401771388.db2.gz RMRSXIQLGKHLEL-JSGCOSHPSA-N 1 0 303.362 2.212 10 5 DEBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000077730429 401827840 /nfs/dbraw/zinc/82/78/40/401827840.db2.gz YGCNTCLQQVZMIK-CQSZACIVSA-N 1 0 307.394 2.230 10 5 DEBERO C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000122753157 402093109 /nfs/dbraw/zinc/09/31/09/402093109.db2.gz JGXRHOVLJPUNEZ-QWRGUYRKSA-N 1 0 309.341 2.289 10 5 DEBERO C[NH+](C)[C@@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000062984508 402111746 /nfs/dbraw/zinc/11/17/46/402111746.db2.gz IZGYOTBHBCWGIY-SNVBAGLBSA-N 1 0 314.183 2.498 10 5 DEBERO Cc1c(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000125202681 402219057 /nfs/dbraw/zinc/21/90/57/402219057.db2.gz YZQIKTSXQCAJLS-IUODEOHRSA-N 1 0 319.405 2.387 10 5 DEBERO CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000185074354 402322310 /nfs/dbraw/zinc/32/23/10/402322310.db2.gz VUUHBSOVYJDVKZ-RYUDHWBXSA-N 1 0 323.368 2.438 10 5 DEBERO Cc1csc([C@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000176222658 402291706 /nfs/dbraw/zinc/29/17/06/402291706.db2.gz NWGJUGOSXBATAI-LBPRGKRZSA-N 1 0 321.406 2.436 10 5 DEBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000184916285 402309099 /nfs/dbraw/zinc/30/90/99/402309099.db2.gz HMJJRWIGCBEPMU-VAWYXSNFSA-N 1 0 303.362 2.209 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000176974245 402355839 /nfs/dbraw/zinc/35/58/39/402355839.db2.gz BLEWGGKGBJYJTJ-CQSZACIVSA-N 1 0 305.378 2.080 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000177018396 402359942 /nfs/dbraw/zinc/35/99/42/402359942.db2.gz MCQFAKDDVFQKAV-CQSZACIVSA-N 1 0 305.378 2.460 10 5 DEBERO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1OC(F)F ZINC000246157334 402513844 /nfs/dbraw/zinc/51/38/44/402513844.db2.gz HEWJIXFRVRJCHV-NSHDSACASA-N 1 0 313.304 2.481 10 5 DEBERO Cc1cccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000246956951 402551162 /nfs/dbraw/zinc/55/11/62/402551162.db2.gz DGZMIFMEXIOFQP-OLZOCXBDSA-N 1 0 303.362 2.212 10 5 DEBERO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172515782 402660707 /nfs/dbraw/zinc/66/07/07/402660707.db2.gz CIOQNMNGJOZPHQ-GFCCVEGCSA-N 1 0 309.753 2.168 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183204890 402746785 /nfs/dbraw/zinc/74/67/85/402746785.db2.gz ZTQXWJCEQOKEMH-IUODEOHRSA-N 1 0 321.377 2.389 10 5 DEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000174975347 402768226 /nfs/dbraw/zinc/76/82/26/402768226.db2.gz AKRPOANAZGTVQB-WDEREUQCSA-N 1 0 309.391 2.355 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000175033286 402773217 /nfs/dbraw/zinc/77/32/17/402773217.db2.gz CUKMBIUXNLRLMS-CHWSQXEVSA-N 1 0 321.352 2.433 10 5 DEBERO CC(C)[N@@H+]1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000263705749 402793661 /nfs/dbraw/zinc/79/36/61/402793661.db2.gz MHPHZGDGNLBAGY-LBPRGKRZSA-N 1 0 318.377 2.374 10 5 DEBERO CC[C@@H](O)C[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000266156551 402966703 /nfs/dbraw/zinc/96/67/03/402966703.db2.gz VHFNDLJUOGPNAT-GFCCVEGCSA-N 1 0 313.785 2.141 10 5 DEBERO O=[N+]([O-])c1c(F)cccc1N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000301715558 403669131 /nfs/dbraw/zinc/66/91/31/403669131.db2.gz JUEGCLVMKXQRSM-QWHCGFSZSA-N 1 0 323.368 2.159 10 5 DEBERO CC[C@H](C)[C@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH2+]C ZINC000132787756 196284560 /nfs/dbraw/zinc/28/45/60/196284560.db2.gz HDWKDDQIJMBGQG-QWRGUYRKSA-N 1 0 300.380 2.003 10 5 DEBERO O=[N+]([O-])c1cc(C[NH2+]CC2(O)CCC2)ccc1Br ZINC000134515229 196398709 /nfs/dbraw/zinc/39/87/09/196398709.db2.gz YOOPWOVGZXAPPZ-UHFFFAOYSA-N 1 0 315.167 2.362 10 5 DEBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCn1ccnn1)CCC2 ZINC000193280141 225157539 /nfs/dbraw/zinc/15/75/39/225157539.db2.gz CGFIWLHIOWTBRT-HNNXBMFYSA-N 1 0 301.350 2.244 10 5 DEBERO CC1(C)CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000261711140 278319144 /nfs/dbraw/zinc/31/91/44/278319144.db2.gz PDUMMYDLBCIVKX-NSHDSACASA-N 1 0 311.769 2.448 10 5 DEBERO CC[C@H]([NH2+]C1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000036331418 288035938 /nfs/dbraw/zinc/03/59/38/288035938.db2.gz CUGHIDDDUWKOKN-AWEZNQCLSA-N 1 0 312.391 2.213 10 5 DEBERO O=[N+]([O-])c1ccc(CO)cc1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000302024313 534881705 /nfs/dbraw/zinc/88/17/05/534881705.db2.gz HAVPVKPZOYLNOO-SOUVJXGZSA-N 1 0 317.389 2.008 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOCC[C@@H]1C ZINC000367654123 526079083 /nfs/dbraw/zinc/07/90/83/526079083.db2.gz BJMWNFCEGGHNGT-ZDUSSCGKSA-N 1 0 321.377 2.343 10 5 DEBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247243210 526085576 /nfs/dbraw/zinc/08/55/76/526085576.db2.gz SNJUYALUKWGNNM-HZSPNIEDSA-N 1 0 307.394 2.043 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000302058120 529082535 /nfs/dbraw/zinc/08/25/35/529082535.db2.gz ATCSTJHQSLPDKE-GFCCVEGCSA-N 1 0 307.350 2.278 10 5 DEBERO Cc1cc(N2CCC[N@H+](CCO)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000747216194 638418847 /nfs/dbraw/zinc/41/88/47/638418847.db2.gz OIAVXYCSJLFEQD-UHFFFAOYSA-N 1 0 313.785 2.061 10 5 DEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000247117626 685143185 /nfs/dbraw/zinc/14/31/85/685143185.db2.gz PMRYJXJTMIGYLT-WFASDCNBSA-N 1 0 315.377 2.071 10 5 DEBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000588562110 777418308 /nfs/dbraw/zinc/41/83/08/777418308.db2.gz KNIQRAALWBQLPS-SEYXRHQNSA-N 1 0 315.373 2.305 10 5 DEBERO O=[N+]([O-])c1cnc(NC[C@H]2C[NH2+]CCC2(F)F)c(Cl)c1 ZINC000717002312 798503840 /nfs/dbraw/zinc/50/38/40/798503840.db2.gz ZJDZXYZFMVCPTK-SSDOTTSWSA-N 1 0 306.700 2.300 10 5 DEBERO [NH3+]C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000720877471 1086316605 /nfs/dbraw/zinc/31/66/05/1086316605.db2.gz PSNXBXMWRIERRQ-RKDXNWHRSA-N 1 0 309.313 2.225 10 5 DEBERO CCC[NH2+][C@@H]1CCC[C@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081941943 192343912 /nfs/dbraw/zinc/34/39/12/192343912.db2.gz FPFNQRNEBQLDRX-ZIAGYGMSSA-N 1 0 312.391 2.289 10 5 DEBERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1Nc1ccc([N+](=O)[O-])cc1C(F)F ZINC000090313315 185290649 /nfs/dbraw/zinc/29/06/49/185290649.db2.gz LNVCFHGOVLTNNH-JLLWLGSASA-N 1 0 301.293 2.449 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000155723395 186106820 /nfs/dbraw/zinc/10/68/20/186106820.db2.gz TXVKWEBCGRILIR-CZUORRHYSA-N 1 0 317.389 2.460 10 5 DEBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000159750538 186139161 /nfs/dbraw/zinc/13/91/61/186139161.db2.gz KXGDFIZGNHAUPL-NSHDSACASA-N 1 0 309.391 2.245 10 5 DEBERO C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173345584 186179037 /nfs/dbraw/zinc/17/90/37/186179037.db2.gz SWHNOPHXMPBXEE-CZUORRHYSA-N 1 0 307.394 2.092 10 5 DEBERO COc1ccc(OCC[N@H+](C)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000173545788 198225089 /nfs/dbraw/zinc/22/50/89/198225089.db2.gz RJIRQEHYKCUGMW-ZDUSSCGKSA-N 1 0 310.350 2.093 10 5 DEBERO Cc1cc(N(C)CC[NH+](C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000080684899 355380607 /nfs/dbraw/zinc/38/06/07/355380607.db2.gz QAWQHZYDKROVRL-UHFFFAOYSA-N 1 0 315.377 2.358 10 5 DEBERO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000255583935 356337983 /nfs/dbraw/zinc/33/79/83/356337983.db2.gz DWBPSPQLOXQQTD-OICCZTGUSA-N 1 0 317.389 2.015 10 5 DEBERO [NH3+]C1(CNc2ncc([N+](=O)[O-])cc2Br)CCCC1 ZINC000594692011 358319466 /nfs/dbraw/zinc/31/94/66/358319466.db2.gz JLVUNENTOBZGOM-UHFFFAOYSA-N 1 0 315.171 2.436 10 5 DEBERO CN(c1nc2sccn2c1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089133533 192731805 /nfs/dbraw/zinc/73/18/05/192731805.db2.gz KTVWFGWIUUXEMW-NXEZZACHSA-N 1 0 309.395 2.258 10 5 DEBERO [NH3+]C[C@@H]1CCCC[C@H]1COc1nc2sccn2c1[N+](=O)[O-] ZINC000089537443 192812454 /nfs/dbraw/zinc/81/24/54/192812454.db2.gz OQOGTNHSELWDKG-UWVGGRQHSA-N 1 0 310.379 2.448 10 5 DEBERO CSc1cccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000188128858 200198349 /nfs/dbraw/zinc/19/83/49/200198349.db2.gz YYDAZCVJUFWPBV-SNVBAGLBSA-N 1 0 309.391 2.093 10 5 DEBERO [NH3+]CC1CC(Oc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000091463264 193059347 /nfs/dbraw/zinc/05/93/47/193059347.db2.gz WQBCKDHIEKJWAZ-UHFFFAOYSA-N 1 0 301.140 2.473 10 5 DEBERO C[NH2+]CC1CC(Oc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093434603 193251623 /nfs/dbraw/zinc/25/16/23/193251623.db2.gz FZFJIMDDGWMUAS-UHFFFAOYSA-N 1 0 316.155 2.129 10 5 DEBERO CN1CC[C@@H]([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000042545714 183283535 /nfs/dbraw/zinc/28/35/35/183283535.db2.gz SJHWQROVEXWHSC-SNVBAGLBSA-N 1 0 314.183 2.151 10 5 DEBERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000159537140 197360836 /nfs/dbraw/zinc/36/08/36/197360836.db2.gz CQUNVCSPUQRJOQ-HRLNJXSSSA-N 1 0 303.362 2.194 10 5 DEBERO COCC[N@@H+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000106108937 194188161 /nfs/dbraw/zinc/18/81/61/194188161.db2.gz UCKHHWZYEGTJJL-KGLIPLIRSA-N 1 0 307.394 2.308 10 5 DEBERO COC(=O)[C@](C)([NH3+])CCCOc1cc(Cl)ccc1[N+](=O)[O-] ZINC000051625843 183831785 /nfs/dbraw/zinc/83/17/85/183831785.db2.gz DHKGLZUFCRVTJH-CYBMUJFWSA-N 1 0 316.741 2.298 10 5 DEBERO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[N@@H+](C2CC2)CC1 ZINC000061605961 184176912 /nfs/dbraw/zinc/17/69/12/184176912.db2.gz SCEZSKKFQLRHFS-RMKNXTFCSA-N 1 0 315.373 2.305 10 5 DEBERO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000537963697 285023281 /nfs/dbraw/zinc/02/32/81/285023281.db2.gz SLPSFJBPDKAXOM-STQMWFEESA-N 1 0 320.393 2.358 10 5 DEBERO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000270307428 208381814 /nfs/dbraw/zinc/38/18/14/208381814.db2.gz RQRCHRDLCLSFGW-QWHCGFSZSA-N 1 0 301.350 2.186 10 5 DEBERO COc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cc1[N+](=O)[O-] ZINC000159003837 197318350 /nfs/dbraw/zinc/31/83/50/197318350.db2.gz NAFCLQFRGWAESB-AWEZNQCLSA-N 1 0 316.361 2.465 10 5 DEBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000188661069 145015578 /nfs/dbraw/zinc/01/55/78/145015578.db2.gz LNIABAXFRZNMPS-UHFFFAOYSA-N 1 0 321.402 2.237 10 5 DEBERO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000247336014 145134034 /nfs/dbraw/zinc/13/40/34/145134034.db2.gz JADXZNQAFYUYQL-GXTWGEPZSA-N 1 0 305.378 2.458 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000248591357 145159833 /nfs/dbraw/zinc/15/98/33/145159833.db2.gz HESBYEIXDHSOEN-YOEHRIQHSA-N 1 0 319.405 2.056 10 5 DEBERO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000261945952 145245754 /nfs/dbraw/zinc/24/57/54/145245754.db2.gz YDTVNJAVXIBTPZ-GFCCVEGCSA-N 1 0 311.769 2.448 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000113232532 401771394 /nfs/dbraw/zinc/77/13/94/401771394.db2.gz BKUVVCRGKRPYHG-ZYHUDNBSSA-N 1 0 307.325 2.043 10 5 DEBERO CC[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000125712829 402246437 /nfs/dbraw/zinc/24/64/37/402246437.db2.gz AHXFKDSQKHZMMA-HOTGVXAUSA-N 1 0 308.378 2.425 10 5 DEBERO CC[NH+](CC)CCNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000184780771 402299413 /nfs/dbraw/zinc/29/94/13/402299413.db2.gz ZMIJUGHAILVMLV-OUKQBFOZSA-N 1 0 305.378 2.456 10 5 DEBERO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000185433364 402351685 /nfs/dbraw/zinc/35/16/85/402351685.db2.gz MOWYVOBEXDPKJF-GFCCVEGCSA-N 1 0 320.393 2.171 10 5 DEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176931289 402351974 /nfs/dbraw/zinc/35/19/74/402351974.db2.gz XJLYLMMPFLRZBK-UHFFFAOYSA-N 1 0 315.333 2.007 10 5 DEBERO COc1cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000161229825 402378067 /nfs/dbraw/zinc/37/80/67/402378067.db2.gz ZAPHPKAJLYCKKR-CYBMUJFWSA-N 1 0 323.393 2.310 10 5 DEBERO Cc1ccc(NC(=O)C2([NH3+])Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000163398478 402449107 /nfs/dbraw/zinc/44/91/07/402449107.db2.gz VGSJVGCJLAXTAT-UHFFFAOYSA-N 1 0 311.341 2.338 10 5 DEBERO CC[C@@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000245684860 402479545 /nfs/dbraw/zinc/47/95/45/402479545.db2.gz ALUKFQZCJFCRSG-GOEBONIOSA-N 1 0 321.421 2.180 10 5 DEBERO Cc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000247073681 402556288 /nfs/dbraw/zinc/55/62/88/402556288.db2.gz HPHPOBAVRKFEKE-OCCSQVGLSA-N 1 0 303.362 2.212 10 5 DEBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2(CCO)CC2)c1 ZINC000190003457 402569478 /nfs/dbraw/zinc/56/94/78/402569478.db2.gz FJASUPIDBJLHSE-UHFFFAOYSA-N 1 0 316.304 2.448 10 5 DEBERO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000246259862 402521492 /nfs/dbraw/zinc/52/14/92/402521492.db2.gz KYHRKISXQIUPCL-DJIMGWMZSA-N 1 0 319.405 2.044 10 5 DEBERO C[NH2+]C1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000179140939 402575968 /nfs/dbraw/zinc/57/59/68/402575968.db2.gz GMFGQUKFRNXORH-UHFFFAOYSA-N 1 0 309.391 2.141 10 5 DEBERO C[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000170831856 402531075 /nfs/dbraw/zinc/53/10/75/402531075.db2.gz JEVKZEWEUDFTIA-RISCZKNCSA-N 1 0 306.366 2.001 10 5 DEBERO CCc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000174196689 402731209 /nfs/dbraw/zinc/73/12/09/402731209.db2.gz XEDZWIPKIXDDDU-CQSZACIVSA-N 1 0 305.378 2.371 10 5 DEBERO CCOCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183252983 402750369 /nfs/dbraw/zinc/75/03/69/402750369.db2.gz FAZPEJRHORTDBB-UHFFFAOYSA-N 1 0 307.394 2.057 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000183330628 402757161 /nfs/dbraw/zinc/75/71/61/402757161.db2.gz YDWSQANARPXCAD-OAHLLOKOSA-N 1 0 301.350 2.332 10 5 DEBERO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000174838471 402759649 /nfs/dbraw/zinc/75/96/49/402759649.db2.gz CSPIXOPGUJBUKI-NSHDSACASA-N 1 0 307.379 2.127 10 5 DEBERO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000194720058 402812513 /nfs/dbraw/zinc/81/25/13/402812513.db2.gz JVGASKBFHFUKGB-JTQLQIEISA-N 1 0 309.391 2.141 10 5 DEBERO O=[N+]([O-])c1cccnc1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000301746401 403673540 /nfs/dbraw/zinc/67/35/40/403673540.db2.gz PSGUGQNFCDMQOD-AWEZNQCLSA-N 1 0 320.393 2.071 10 5 DEBERO C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C[N@@H+]1C ZINC000408068170 405102737 /nfs/dbraw/zinc/10/27/37/405102737.db2.gz HJCXXDRNGSBRBB-MNOVXSKESA-N 1 0 316.361 2.241 10 5 DEBERO C[C@@H]1C[C@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCO1 ZINC000408358944 405184092 /nfs/dbraw/zinc/18/40/92/405184092.db2.gz RHEGVOJZERJZBS-CHWSQXEVSA-N 1 0 308.382 2.243 10 5 DEBERO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3cccnc3)CC2)cn1 ZINC000450484078 405923611 /nfs/dbraw/zinc/92/36/11/405923611.db2.gz KKKRSCDLTIFFCZ-UHFFFAOYSA-N 1 0 313.361 2.461 10 5 DEBERO CCc1cc(C[NH3+])c(I)c([N+](=O)[O-])c1 ZINC000575726562 406825403 /nfs/dbraw/zinc/82/54/03/406825403.db2.gz WCHPAHWKFUOJDH-UHFFFAOYSA-N 1 0 306.103 2.221 10 5 DEBERO C[C@H]1C[NH2+]C[C@@H](COCc2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000132770109 196282312 /nfs/dbraw/zinc/28/23/12/196282312.db2.gz UULUOJPRJISJQW-CABZTGNLSA-N 1 0 300.742 2.142 10 5 DEBERO C[C@H]1C[NH2+]C[C@H](COCc2c(Cl)cccc2[N+](=O)[O-])O1 ZINC000132811312 196286425 /nfs/dbraw/zinc/28/64/25/196286425.db2.gz PQIMDQCBVDLZFO-VHSXEESVSA-N 1 0 300.742 2.142 10 5 DEBERO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000134078674 196359069 /nfs/dbraw/zinc/35/90/69/196359069.db2.gz ZHEFSVTUEITSGM-NKWVEPMBSA-N 1 0 316.155 2.279 10 5 DEBERO C[NH2+][C@@H]1CSC[C@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000134801320 196421326 /nfs/dbraw/zinc/42/13/26/196421326.db2.gz UKAXAROGSDLMBL-GHMZBOCLSA-N 1 0 306.347 2.063 10 5 DEBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCn1ccnn1)CCC2 ZINC000193280127 225156961 /nfs/dbraw/zinc/15/69/61/225156961.db2.gz CGFIWLHIOWTBRT-OAHLLOKOSA-N 1 0 301.350 2.244 10 5 DEBERO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000087220515 267394441 /nfs/dbraw/zinc/39/44/41/267394441.db2.gz ATBQEDWEXXJRKS-UHFFFAOYSA-N 1 0 317.389 2.224 10 5 DEBERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000057004811 276339466 /nfs/dbraw/zinc/33/94/66/276339466.db2.gz IXSSQHYGOZTWLK-GFCCVEGCSA-N 1 0 308.382 2.124 10 5 DEBERO COCC[N@@H+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000247808507 523858463 /nfs/dbraw/zinc/85/84/63/523858463.db2.gz UCKHHWZYEGTJJL-ZIAGYGMSSA-N 1 0 307.394 2.308 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237223433 526068895 /nfs/dbraw/zinc/06/88/95/526068895.db2.gz QOODQENMWUKJPM-ONXXMXGDSA-N 1 0 303.362 2.258 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000246856016 535875403 /nfs/dbraw/zinc/87/54/03/535875403.db2.gz CUKMBIUXNLRLMS-OLZOCXBDSA-N 1 0 321.352 2.433 10 5 DEBERO [NH3+][C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000717154039 799256520 /nfs/dbraw/zinc/25/65/20/799256520.db2.gz VKJOPHVXDPMJFD-IUCAKERBSA-N 1 0 309.313 2.368 10 5 DEBERO COCC[NH2+]CCc1ccc(Br)cc1[N+](=O)[O-] ZINC000162464430 197568234 /nfs/dbraw/zinc/56/82/34/197568234.db2.gz QLNLORVKGWANMM-UHFFFAOYSA-N 1 0 303.156 2.136 10 5 DEBERO CC[NH2+][C@H](CC)[C@@H](C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942127 192344557 /nfs/dbraw/zinc/34/45/57/192344557.db2.gz CTVDKJYMBMDRQL-ZWNOBZJWSA-N 1 0 300.380 2.145 10 5 DEBERO CC[C@@H](C[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000087520016 185227774 /nfs/dbraw/zinc/22/77/74/185227774.db2.gz JKUUOBZMXJCHQE-ZETCQYMHSA-N 1 0 316.155 2.281 10 5 DEBERO C[C@@H](O)[C@@](C)(C[NH3+])Cc1ccc([N+](=O)[O-])cc1Br ZINC000087932029 185237627 /nfs/dbraw/zinc/23/76/27/185237627.db2.gz AHQISIYMHVRSFZ-PRHODGIISA-N 1 0 317.183 2.246 10 5 DEBERO CC(C)(C)[NH2+]C[C@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123572270 185821328 /nfs/dbraw/zinc/82/13/28/185821328.db2.gz NPXHKTHFTLXWDF-JTQLQIEISA-N 1 0 302.758 2.376 10 5 DEBERO CC(C)(C)[NH2+]C[C@H](O)COc1cc(F)c([N+](=O)[O-])cc1F ZINC000123619758 185826687 /nfs/dbraw/zinc/82/66/87/185826687.db2.gz OLIXRFARTSTLNY-QMMMGPOBSA-N 1 0 304.293 2.001 10 5 DEBERO O=C(NCCCc1ncc[nH]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000139449661 186022376 /nfs/dbraw/zinc/02/23/76/186022376.db2.gz ZGPNFYVPOQAZTR-UHFFFAOYSA-N 1 0 308.725 2.334 10 5 DEBERO C[NH+](C)C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000172179513 198053547 /nfs/dbraw/zinc/05/35/47/198053547.db2.gz XTWKVMTYTOAUNY-ZDUSSCGKSA-N 1 0 313.785 2.011 10 5 DEBERO O=[N+]([O-])c1ccc(N2CC[NH+](C3CC3)CC2)cc1OC(F)F ZINC000118361101 355780120 /nfs/dbraw/zinc/78/01/20/355780120.db2.gz YCTNMKHDMXNOPK-UHFFFAOYSA-N 1 0 313.304 2.481 10 5 DEBERO Cc1ccc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000193316055 356223983 /nfs/dbraw/zinc/22/39/83/356223983.db2.gz SGKKPQOYXVDWOJ-ZDUSSCGKSA-N 1 0 320.345 2.368 10 5 DEBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCn1ccnn1)C1CC1 ZINC000184264139 356189324 /nfs/dbraw/zinc/18/93/24/356189324.db2.gz QLRBWHZSSKOMAA-OAHLLOKOSA-N 1 0 315.377 2.187 10 5 DEBERO COc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000184215775 199688898 /nfs/dbraw/zinc/68/88/98/199688898.db2.gz NDKHWQGMSOCYQQ-WCQYABFASA-N 1 0 323.368 2.411 10 5 DEBERO CC(=O)c1ccc(NCCN(C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596423693 358684014 /nfs/dbraw/zinc/68/40/14/358684014.db2.gz AFTMLSBJLNMMGC-UHFFFAOYSA-N 1 0 322.409 2.093 10 5 DEBERO O=C(C[C@@H]1CSCC[NH2+]1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000091134863 193000539 /nfs/dbraw/zinc/00/05/39/193000539.db2.gz GDAWSFXDHSOOGN-SECBINFHSA-N 1 0 315.782 2.282 10 5 DEBERO CC[C@@](C)([NH3+])COc1ncc([N+](=O)[O-])cc1Br ZINC000093434583 193251627 /nfs/dbraw/zinc/25/16/27/193251627.db2.gz ILGWCYJBZSAPDX-SNVBAGLBSA-N 1 0 304.144 2.259 10 5 DEBERO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CC[NH2+]C1 ZINC000094296451 193357091 /nfs/dbraw/zinc/35/70/91/193357091.db2.gz ORPRUPBBCHVEOL-SECBINFHSA-N 1 0 301.140 2.406 10 5 DEBERO CO[C@]1(C[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])CCOC1 ZINC000160302296 197398973 /nfs/dbraw/zinc/39/89/73/197398973.db2.gz YUKIEDJBOPDROF-ZDUSSCGKSA-N 1 0 300.742 2.143 10 5 DEBERO [NH3+][C@H]1CCCC[C@H]1Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000040713461 183121865 /nfs/dbraw/zinc/12/18/65/183121865.db2.gz QAEBNUBRDRLWEB-DTWKUNHWSA-N 1 0 315.171 2.434 10 5 DEBERO [NH3+][C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000041030037 183157835 /nfs/dbraw/zinc/15/78/35/183157835.db2.gz YKNSGNYDGRZJMJ-SNVBAGLBSA-N 1 0 314.183 2.280 10 5 DEBERO CC(C)[N@@H+](CCc1nccs1)CCn1ccc([N+](=O)[O-])n1 ZINC000159775750 197363614 /nfs/dbraw/zinc/36/36/14/197363614.db2.gz WKYDFPCDWUJXSA-UHFFFAOYSA-N 1 0 309.395 2.201 10 5 DEBERO CC(C)[C@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159459658 197355320 /nfs/dbraw/zinc/35/53/20/197355320.db2.gz WSMFTCQSMGLROB-JTQLQIEISA-N 1 0 316.155 2.279 10 5 DEBERO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000105884131 194156859 /nfs/dbraw/zinc/15/68/59/194156859.db2.gz PIFUCXBLVYZELQ-OAHLLOKOSA-N 1 0 315.377 2.141 10 5 DEBERO COCC[N@@H+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000106108938 194188223 /nfs/dbraw/zinc/18/82/23/194188223.db2.gz UCKHHWZYEGTJJL-KBPBESRZSA-N 1 0 307.394 2.308 10 5 DEBERO [NH3+]C[C@@H]1CCN(c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000158748265 197298090 /nfs/dbraw/zinc/29/80/90/197298090.db2.gz QENZEVQPXHXOLL-ZETCQYMHSA-N 1 0 318.146 2.281 10 5 DEBERO [NH3+]C1CC(Nc2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000158741513 197297857 /nfs/dbraw/zinc/29/78/57/197297857.db2.gz LSFHACYLYFSDTC-UHFFFAOYSA-N 1 0 304.119 2.398 10 5 DEBERO CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000157638553 197203766 /nfs/dbraw/zinc/20/37/66/197203766.db2.gz QHAQDQJBXTZXOB-WFASDCNBSA-N 1 0 320.393 2.123 10 5 DEBERO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000157028602 197156639 /nfs/dbraw/zinc/15/66/39/197156639.db2.gz KGVULDGLUGHOCJ-RNFRBKRXSA-N 1 0 316.155 2.279 10 5 DEBERO C[C@@H]([NH3+])[C@H]1CN(c2cc(Cl)c(Cl)cc2[N+](=O)[O-])CCO1 ZINC000156556906 197122564 /nfs/dbraw/zinc/12/25/64/197122564.db2.gz YNDWAUOOPZDGBQ-JMCQJSRRSA-N 1 0 320.176 2.454 10 5 DEBERO COc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000155365848 197047891 /nfs/dbraw/zinc/04/78/91/197047891.db2.gz HDEMZTXUZXXCPX-YPMHNXCESA-N 1 0 321.377 2.062 10 5 DEBERO CN1CC[C@@H]([NH2+]Cc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000122087625 195399777 /nfs/dbraw/zinc/39/97/77/195399777.db2.gz FLGJWSDPLHFHRO-LLVKDONJSA-N 1 0 314.183 2.151 10 5 DEBERO CSc1cccc(C(=O)N2CC[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000188841527 145018500 /nfs/dbraw/zinc/01/85/00/145018500.db2.gz ZHDSKMSANVEUTN-UHFFFAOYSA-N 1 0 321.402 2.237 10 5 DEBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000247404865 145136025 /nfs/dbraw/zinc/13/60/25/145136025.db2.gz RHRQVZYFGHOYJC-XJKSGUPXSA-N 1 0 319.405 2.372 10 5 DEBERO O=[N+]([O-])c1ccc(N2CCC([C@@H]3CCC[NH2+]3)CC2)c2nonc21 ZINC000261786617 145226876 /nfs/dbraw/zinc/22/68/76/145226876.db2.gz SNOHIPQVYIIBKY-NSHDSACASA-N 1 0 317.349 2.099 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000113367324 401777539 /nfs/dbraw/zinc/77/75/39/401777539.db2.gz QITVYANZKZDNJV-BXUZGUMPSA-N 1 0 304.350 2.295 10 5 DEBERO CC(C)[C@H]([NH2+]C[C@H](C)O)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000035744587 401900738 /nfs/dbraw/zinc/90/07/38/401900738.db2.gz IIUZPQBNCHEYPJ-GWCFXTLKSA-N 1 0 320.349 2.312 10 5 DEBERO CC[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000123404464 402125814 /nfs/dbraw/zinc/12/58/14/402125814.db2.gz ACSHUYXGRWKZTB-XJKSGUPXSA-N 1 0 307.394 2.356 10 5 DEBERO CC(C)[C@H]([NH3+])CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000070447966 402260469 /nfs/dbraw/zinc/26/04/69/402260469.db2.gz LRCJYOOPXPQGGK-MRVPVSSYSA-N 1 0 303.160 2.148 10 5 DEBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000160460922 402346315 /nfs/dbraw/zinc/34/63/15/402346315.db2.gz FMCMXAQLEBINHD-MRXNPFEDSA-N 1 0 319.405 2.374 10 5 DEBERO Cc1sc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177043823 402362902 /nfs/dbraw/zinc/36/29/02/402362902.db2.gz YWBOALGYCWDVCA-PSASIEDQSA-N 1 0 309.391 2.320 10 5 DEBERO COC[C@@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162108962 402409580 /nfs/dbraw/zinc/40/95/80/402409580.db2.gz UXVHZECFBGJQAM-MRVPVSSYSA-N 1 0 303.156 2.482 10 5 DEBERO O=C(/C=C/c1ccccc1[N+](=O)[O-])N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186507227 402437416 /nfs/dbraw/zinc/43/74/16/402437416.db2.gz AYDFDZALDSMWOA-DNGMOHDESA-N 1 0 315.373 2.351 10 5 DEBERO Cc1c(Br)c(NCC[C@@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000165817832 402478863 /nfs/dbraw/zinc/47/88/63/402478863.db2.gz BUSMXHWKYGIDBZ-ZCFIWIBFSA-N 1 0 303.160 2.210 10 5 DEBERO CC[N@@H+]1CCC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000170639872 402509597 /nfs/dbraw/zinc/50/95/97/402509597.db2.gz PZUZGYOEESFWFW-LBPRGKRZSA-N 1 0 318.377 2.376 10 5 DEBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000247339803 402564403 /nfs/dbraw/zinc/56/44/03/402564403.db2.gz NMCNTOGVCWFBEB-SWLSCSKDSA-N 1 0 320.393 2.123 10 5 DEBERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000170874656 402536213 /nfs/dbraw/zinc/53/62/13/402536213.db2.gz MWAXWZCAFBUZEP-JTQLQIEISA-N 1 0 312.757 2.416 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000249838538 402642582 /nfs/dbraw/zinc/64/25/82/402642582.db2.gz NCBXTDRLKKEGDB-CQSZACIVSA-N 1 0 321.421 2.180 10 5 DEBERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261646720 402715536 /nfs/dbraw/zinc/71/55/36/402715536.db2.gz FJFXQPPXFNDFFE-ZENOOKHLSA-N 1 0 319.361 2.066 10 5 DEBERO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173380167 402695011 /nfs/dbraw/zinc/69/50/11/402695011.db2.gz BLUYYMKKNWTTJE-XJKSGUPXSA-N 1 0 307.394 2.356 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(n2cncn2)CC1 ZINC000183308466 402755021 /nfs/dbraw/zinc/75/50/21/402755021.db2.gz UWBVXBXBXHKRAE-UHFFFAOYSA-N 1 0 301.350 2.332 10 5 DEBERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000194312216 402791452 /nfs/dbraw/zinc/79/14/52/402791452.db2.gz UZKQGQDZBMFXAA-LLVKDONJSA-N 1 0 322.365 2.209 10 5 DEBERO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[N@@H+](C2CC2)CC1 ZINC000194675214 402810030 /nfs/dbraw/zinc/81/00/30/402810030.db2.gz LOASQXROHUJHHR-UHFFFAOYSA-N 1 0 307.325 2.044 10 5 DEBERO CCOc1cccc(NC[C@@H](O)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000184058114 402815034 /nfs/dbraw/zinc/81/50/34/402815034.db2.gz RNALALNYJLLPCA-CYBMUJFWSA-N 1 0 323.393 2.252 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186541399 292291931 /nfs/dbraw/zinc/29/19/31/292291931.db2.gz QLQQDENSWDKVAQ-LBPRGKRZSA-N 1 0 303.362 2.260 10 5 DEBERO CCc1cc([N+](=O)[O-])c(I)cc1C[NH3+] ZINC000575725369 406825184 /nfs/dbraw/zinc/82/51/84/406825184.db2.gz KHTKEOXSBJXQOK-UHFFFAOYSA-N 1 0 306.103 2.221 10 5 DEBERO C[C@H]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@H]1C[NH3+] ZINC000261738346 279673488 /nfs/dbraw/zinc/67/34/88/279673488.db2.gz RWWBOAJZXGJHAS-WPRPVWTQSA-N 1 0 307.379 2.163 10 5 DEBERO C[C@H](O)C[N@@H+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000247243235 525775504 /nfs/dbraw/zinc/77/55/04/525775504.db2.gz SNJUYALUKWGNNM-IHRRRGAJSA-N 1 0 307.394 2.043 10 5 DEBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247166379 526084182 /nfs/dbraw/zinc/08/41/82/526084182.db2.gz QWDXJCOUNIOPEL-CZUORRHYSA-N 1 0 305.378 2.062 10 5 DEBERO Cc1cc(N(C)C[C@@H](C)[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000310275477 625646970 /nfs/dbraw/zinc/64/69/70/625646970.db2.gz JLLSYOUTNMGTBN-MRVPVSSYSA-N 1 0 302.172 2.449 10 5 DEBERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000126785224 684157058 /nfs/dbraw/zinc/15/70/58/684157058.db2.gz SVENLFMIMNWPSY-YPMHNXCESA-N 1 0 312.391 2.131 10 5 DEBERO Cc1cc(F)cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000246115220 685123228 /nfs/dbraw/zinc/12/32/28/685123228.db2.gz QVAMFKRQDKOODF-DGCLKSJQSA-N 1 0 321.352 2.351 10 5 DEBERO CC[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000081902089 192337189 /nfs/dbraw/zinc/33/71/89/192337189.db2.gz CRXGHRKBSBDSTO-GXFFZTMASA-N 1 0 300.380 2.069 10 5 DEBERO CC1(C)CC[C@@H]([NH3+])[C@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000081942401 192344381 /nfs/dbraw/zinc/34/43/81/192344381.db2.gz UTFQBFXJPYTZTR-CHWSQXEVSA-N 1 0 312.391 2.275 10 5 DEBERO [NH3+][C@H]1CCCCCC[C@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942181 192344570 /nfs/dbraw/zinc/34/45/70/192344570.db2.gz RVQHGFWXEDKGSD-UONOGXRCSA-N 1 0 312.391 2.419 10 5 DEBERO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCCOc3ccc(F)cc32)c1 ZINC000090539235 185301625 /nfs/dbraw/zinc/30/16/25/185301625.db2.gz PBFWHXATSSLGKP-AWEZNQCLSA-N 1 0 320.324 2.434 10 5 DEBERO CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000090551849 185302938 /nfs/dbraw/zinc/30/29/38/185302938.db2.gz WJMQMKFFAHPYSP-GJZGRUSLSA-N 1 0 320.393 2.439 10 5 DEBERO C[NH2+]CCN(C)C(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000070304827 190879086 /nfs/dbraw/zinc/87/90/86/190879086.db2.gz FGPJJCMSVDZITI-UHFFFAOYSA-N 1 0 306.149 2.193 10 5 DEBERO C[C@@H]([NH3+])C[C@H](C)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000320929733 356448099 /nfs/dbraw/zinc/44/80/99/356448099.db2.gz SGAKFKBQKBIHMU-RQJHMYQMSA-N 1 0 303.160 2.290 10 5 DEBERO [NH3+][C@@H]1CC[C@H](Oc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000093219088 193218410 /nfs/dbraw/zinc/21/84/10/193218410.db2.gz BWZLZTRZFMBPTB-SFYZADRCSA-N 1 0 302.128 2.011 10 5 DEBERO CCC[C@@H](C[NH3+])Nc1ncc([N+](=O)[O-])cc1Br ZINC000093434403 193250360 /nfs/dbraw/zinc/25/03/60/193250360.db2.gz JGXLHHVKNKHLKG-ZETCQYMHSA-N 1 0 303.160 2.292 10 5 DEBERO NC(=O)[C@@]1([NH3+])CCC[C@@H]1CCSc1ccc([N+](=O)[O-])cc1 ZINC000093627046 193276840 /nfs/dbraw/zinc/27/68/40/193276840.db2.gz FCQPBYSMDDMAMN-QMTHXVAHSA-N 1 0 309.391 2.060 10 5 DEBERO COC(=O)[C@@]1([NH3+])CC[C@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000093847802 193317175 /nfs/dbraw/zinc/31/71/75/193317175.db2.gz FQBFBYUFKSKTET-TVQRCGJNSA-N 1 0 314.725 2.050 10 5 DEBERO C[NH+](C)C(C)(C)COc1ncc(Br)cc1[N+](=O)[O-] ZINC000093955333 193332000 /nfs/dbraw/zinc/33/20/00/193332000.db2.gz CJYNITMNNSYUNY-UHFFFAOYSA-N 1 0 318.171 2.471 10 5 DEBERO C[NH2+][C@H]1[C@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1(C)C ZINC000094311250 193358862 /nfs/dbraw/zinc/35/88/62/193358862.db2.gz MHQCHFSZXTUJBI-OLZOCXBDSA-N 1 0 312.391 2.145 10 5 DEBERO O=[N+]([O-])c1cc(Br)c(F)cc1N1CCC[NH2+]CC1 ZINC000097367146 193710906 /nfs/dbraw/zinc/71/09/06/193710906.db2.gz IMSUAQQFUULWNR-UHFFFAOYSA-N 1 0 318.146 2.296 10 5 DEBERO C[C@@H](CC[NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159433303 197352949 /nfs/dbraw/zinc/35/29/49/197352949.db2.gz KRUVTSUEFRTFDT-ZETCQYMHSA-N 1 0 316.155 2.281 10 5 DEBERO CCOCC[NH+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000106106104 194185700 /nfs/dbraw/zinc/18/57/00/194185700.db2.gz HMGDMBFWFJARBR-AWEZNQCLSA-N 1 0 307.394 2.310 10 5 DEBERO C[NH+](C)CC(C)(C)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000120296847 195137643 /nfs/dbraw/zinc/13/76/43/195137643.db2.gz YYMBVONKTOFFGO-UHFFFAOYSA-N 1 0 318.377 2.394 10 5 DEBERO Cc1cc([N+](=O)[O-])c(Cl)cc1NCCCN1CC[NH2+]CC1 ZINC000157705677 197208822 /nfs/dbraw/zinc/20/88/22/197208822.db2.gz VQKUYNNTBADUHQ-UHFFFAOYSA-N 1 0 312.801 2.264 10 5 DEBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000157638422 197203723 /nfs/dbraw/zinc/20/37/23/197203723.db2.gz QHAQDQJBXTZXOB-DOMZBBRYSA-N 1 0 320.393 2.123 10 5 DEBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246201681 145094629 /nfs/dbraw/zinc/09/46/29/145094629.db2.gz JETPPYYKEVUAAZ-SMDDNHRTSA-N 1 0 306.366 2.445 10 5 DEBERO COc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000248623809 145161595 /nfs/dbraw/zinc/16/15/95/145161595.db2.gz NDKHWQGMSOCYQQ-YPMHNXCESA-N 1 0 323.368 2.411 10 5 DEBERO CCc1ccc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1[N+](=O)[O-] ZINC000261716599 145220340 /nfs/dbraw/zinc/22/03/40/145220340.db2.gz CCXQZHPXGVTGGM-AWEZNQCLSA-N 1 0 305.378 2.357 10 5 DEBERO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC([NH+]2CCCC2)CC1 ZINC000077511098 401818157 /nfs/dbraw/zinc/81/81/57/401818157.db2.gz BLQDRGHBXRWBRM-UHFFFAOYSA-N 1 0 321.352 2.434 10 5 DEBERO Cn1cc([C@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000116320719 401850294 /nfs/dbraw/zinc/85/02/94/401850294.db2.gz JUSUKALPLAPTKF-ZDUSSCGKSA-N 1 0 316.361 2.197 10 5 DEBERO CC1(C)CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000077382475 401812661 /nfs/dbraw/zinc/81/26/61/401812661.db2.gz UQCHVXVQLHJZRE-UHFFFAOYSA-N 1 0 303.362 2.358 10 5 DEBERO CC[C@@H](O)C[NH+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000118858347 401912942 /nfs/dbraw/zinc/91/29/42/401912942.db2.gz SAQMUYWGKSFBFO-XJKSGUPXSA-N 1 0 307.394 2.044 10 5 DEBERO O=[N+]([O-])c1ccc2sc([S@](=O)C[C@@H]3CCC[NH2+]3)nc2c1 ZINC000095092233 402025737 /nfs/dbraw/zinc/02/57/37/402025737.db2.gz LMYISZRPUDBFAD-FHZGZLOMSA-N 1 0 311.388 2.064 10 5 DEBERO Cc1c([C@@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000151294139 402027856 /nfs/dbraw/zinc/02/78/56/402027856.db2.gz ZBYWUUPYJKXVIN-HUUCEWRRSA-N 1 0 321.421 2.401 10 5 DEBERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152737945 402106785 /nfs/dbraw/zinc/10/67/85/402106785.db2.gz QWYHHTRJGLPAPB-JTQLQIEISA-N 1 0 311.769 2.272 10 5 DEBERO CC[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000123403994 402126102 /nfs/dbraw/zinc/12/61/02/402126102.db2.gz ACSHUYXGRWKZTB-CZUORRHYSA-N 1 0 307.394 2.356 10 5 DEBERO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000124662898 402191091 /nfs/dbraw/zinc/19/10/91/402191091.db2.gz DGQNCTACVCSXQF-VXGBXAGGSA-N 1 0 321.377 2.158 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000176975007 402355829 /nfs/dbraw/zinc/35/58/29/402355829.db2.gz OOLCCHZTQSZOGM-HNNXBMFYSA-N 1 0 305.378 2.080 10 5 DEBERO CC(C)[C@@H]([NH3+])CNc1c(Br)cncc1[N+](=O)[O-] ZINC000232709691 402357725 /nfs/dbraw/zinc/35/77/25/402357725.db2.gz OPJSTDUNSLUVBW-QMMMGPOBSA-N 1 0 303.160 2.148 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000177020065 402360227 /nfs/dbraw/zinc/36/02/27/402360227.db2.gz LBUOMOQONAGJJR-ZDUSSCGKSA-N 1 0 305.378 2.460 10 5 DEBERO Cc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000247462865 402567389 /nfs/dbraw/zinc/56/73/89/402567389.db2.gz QZENDEWUIIYQLM-TZMCWYRMSA-N 1 0 303.362 2.212 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249840824 402642394 /nfs/dbraw/zinc/64/23/94/402642394.db2.gz NOVWWQXUXYMJKL-AWEZNQCLSA-N 1 0 321.421 2.180 10 5 DEBERO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000183204756 402746998 /nfs/dbraw/zinc/74/69/98/402746998.db2.gz XUQBDYMWFJZTNM-RISCZKNCSA-N 1 0 307.350 2.081 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000175021274 402771915 /nfs/dbraw/zinc/77/19/15/402771915.db2.gz YUEKGWPLTHANMZ-DGCLKSJQSA-N 1 0 321.352 2.433 10 5 DEBERO Cc1cc(N2C[C@H](C)[C@H]([NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000300487599 403583603 /nfs/dbraw/zinc/58/36/03/403583603.db2.gz LJKHDLRTQVHNCZ-WCBMZHEXSA-N 1 0 314.183 2.449 10 5 DEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000435059202 404954414 /nfs/dbraw/zinc/95/44/14/404954414.db2.gz VMLFHBBQQBIBKT-FUIJVIPGSA-N 1 0 315.373 2.210 10 5 DEBERO C[C@H]1C[C@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCO1 ZINC000408358946 405184923 /nfs/dbraw/zinc/18/49/23/405184923.db2.gz RHEGVOJZERJZBS-QWHCGFSZSA-N 1 0 308.382 2.243 10 5 DEBERO CCOc1ccc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000525292163 406482173 /nfs/dbraw/zinc/48/21/73/406482173.db2.gz KMDQMVHEBUMXHV-LBPRGKRZSA-N 1 0 321.377 2.065 10 5 DEBERO CC[C@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000069143131 288088809 /nfs/dbraw/zinc/08/88/09/288088809.db2.gz ZLJRILMURRQOOA-JSGCOSHPSA-N 1 0 312.391 2.213 10 5 DEBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000068224358 279132361 /nfs/dbraw/zinc/13/23/61/279132361.db2.gz YNMHMDQMPDSXIX-LLVKDONJSA-N 1 0 311.357 2.440 10 5 DEBERO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1[NH3+] ZINC000235668023 635976885 /nfs/dbraw/zinc/97/68/85/635976885.db2.gz HERPKACUUBUIAF-XVKPBYJWSA-N 1 0 300.156 2.141 10 5 DEBERO C/C(=C\C(=O)NCCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000752357136 639175947 /nfs/dbraw/zinc/17/59/47/639175947.db2.gz XMXJYOOTUPXDPC-OUKQBFOZSA-N 1 0 305.378 2.456 10 5 DEBERO CC[NH+](CC)CCCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000192733546 684456506 /nfs/dbraw/zinc/45/65/06/684456506.db2.gz IPKGRZGMSAPYGO-UHFFFAOYSA-N 1 0 322.365 2.070 10 5 DEBERO C[C@@H]1C[NH2+]C[C@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000723811151 787345115 /nfs/dbraw/zinc/34/51/15/787345115.db2.gz BDFZUSWANSGUND-SFYZADRCSA-N 1 0 315.171 2.020 10 5 DEBERO [NH3+][C@H]1CCC2(C[C@H]1Sc1ccccc1[N+](=O)[O-])OCCO2 ZINC000081777027 192322971 /nfs/dbraw/zinc/32/29/71/192322971.db2.gz ZWUKAFFAICCHNM-GXFFZTMASA-N 1 0 310.375 2.310 10 5 DEBERO [NH3+]CCCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000095564809 185380318 /nfs/dbraw/zinc/38/03/18/185380318.db2.gz HFPGYEQMKZWOOO-UHFFFAOYSA-N 1 0 308.216 2.283 10 5 DEBERO CCC[C@H]([NH3+])[C@@H](CC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942859 192343721 /nfs/dbraw/zinc/34/37/21/192343721.db2.gz BNKJMXOEKJVZRP-CMPLNLGQSA-N 1 0 300.380 2.275 10 5 DEBERO Cc1nnc(SCc2cccc([N+](=O)[O-])c2C)n1CC[NH3+] ZINC000087715007 185230892 /nfs/dbraw/zinc/23/08/92/185230892.db2.gz TZXJYXNPSCSVDR-UHFFFAOYSA-N 1 0 307.379 2.054 10 5 DEBERO Cc1c(Br)c(OC[C@H]2CCC[NH2+]2)ncc1[N+](=O)[O-] ZINC000165861010 197682780 /nfs/dbraw/zinc/68/27/80/197682780.db2.gz MFAIZFPWJRUHGN-MRVPVSSYSA-N 1 0 316.155 2.192 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000183293104 282241145 /nfs/dbraw/zinc/24/11/45/282241145.db2.gz XCGGCCQLRUPMRH-KRWDZBQOSA-N 1 0 319.405 2.200 10 5 DEBERO C[C@@H](O)c1cc([N+](=O)[O-])c(N2CCC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000167510364 197709801 /nfs/dbraw/zinc/70/98/01/197709801.db2.gz XYMPAUGDJGAVRV-GHMZBOCLSA-N 1 0 311.407 2.384 10 5 DEBERO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000231474686 539735070 /nfs/dbraw/zinc/73/50/70/539735070.db2.gz KOPYEQUXTDDJLI-LBPRGKRZSA-N 1 0 311.769 2.462 10 5 DEBERO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172120097 198042820 /nfs/dbraw/zinc/04/28/20/198042820.db2.gz DAXJRCKXOJKHSK-ZDUSSCGKSA-N 1 0 323.780 2.097 10 5 DEBERO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000185119601 356201495 /nfs/dbraw/zinc/20/14/95/356201495.db2.gz UJSZCPHMLRVYDF-PWSUYJOCSA-N 1 0 309.341 2.048 10 5 DEBERO Cc1cc(N(C)[C@@H]2CC[NH2+]C2)c(Br)cc1[N+](=O)[O-] ZINC000234325083 356286743 /nfs/dbraw/zinc/28/67/43/356286743.db2.gz DAHVQHIJLABZJV-SECBINFHSA-N 1 0 314.183 2.464 10 5 DEBERO C[C@H]([NH3+])C[C@H](C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000320790945 356447172 /nfs/dbraw/zinc/44/71/72/356447172.db2.gz FYODPNNCJPUYEN-BQBZGAKWSA-N 1 0 303.160 2.290 10 5 DEBERO C[C@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C[NH2+]1 ZINC000600954421 359870320 /nfs/dbraw/zinc/87/03/20/359870320.db2.gz BBUSNSUHVRTIFJ-YUMQZZPRSA-N 1 0 315.171 2.305 10 5 DEBERO C[C@H]1C[C@H]([NH3+])CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000600963674 359874190 /nfs/dbraw/zinc/87/41/90/359874190.db2.gz YIKQHOWGCMSESZ-CBAPKCEASA-N 1 0 300.156 2.283 10 5 DEBERO CC(C)[NH2+]CC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094188720 193347885 /nfs/dbraw/zinc/34/78/85/193347885.db2.gz HERGOOBRSKMKDG-UHFFFAOYSA-N 1 0 316.155 2.294 10 5 DEBERO C[N@@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000042546838 183282613 /nfs/dbraw/zinc/28/26/13/183282613.db2.gz IAILZAAOAGPKED-JTQLQIEISA-N 1 0 314.183 2.151 10 5 DEBERO O=C(Nc1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCC[NH2+]1 ZINC000159454885 197355021 /nfs/dbraw/zinc/35/50/21/197355021.db2.gz DSLHPBWUWXENHL-VIFPVBQESA-N 1 0 314.139 2.048 10 5 DEBERO CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000106113827 194187554 /nfs/dbraw/zinc/18/75/54/194187554.db2.gz KBIWUCRZFQVLIY-HNNXBMFYSA-N 1 0 307.394 2.137 10 5 DEBERO C[NH+](C)CC1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000119948828 195068082 /nfs/dbraw/zinc/06/80/82/195068082.db2.gz BUSWXFGMYDITLV-UHFFFAOYSA-N 1 0 320.393 2.027 10 5 DEBERO CCOc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000540517467 285119964 /nfs/dbraw/zinc/11/99/64/285119964.db2.gz UJOQRLJAEUEBKR-UHFFFAOYSA-N 1 0 309.366 2.017 10 5 DEBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000246356295 145100439 /nfs/dbraw/zinc/10/04/39/145100439.db2.gz WUGFJOURBMQXTQ-OIISXLGYSA-N 1 0 320.389 2.255 10 5 DEBERO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247310516 145132544 /nfs/dbraw/zinc/13/25/44/145132544.db2.gz HLDNVUGOHWISAI-GXTWGEPZSA-N 1 0 305.378 2.458 10 5 DEBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000247403354 145135921 /nfs/dbraw/zinc/13/59/21/145135921.db2.gz RGAIWEHVSUFFRL-TZMCWYRMSA-N 1 0 320.393 2.123 10 5 DEBERO O=[N+]([O-])c1ccc(CN2CC[NH2+]C[C@H]2c2cccnc2)c(F)c1 ZINC000261734211 145221506 /nfs/dbraw/zinc/22/15/06/145221506.db2.gz MCGSCYOZQQQMRG-INIZCTEOSA-N 1 0 316.336 2.275 10 5 DEBERO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH3+] ZINC000261945953 145245840 /nfs/dbraw/zinc/24/58/40/145245840.db2.gz YDTVNJAVXIBTPZ-LBPRGKRZSA-N 1 0 311.769 2.448 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000262325031 145276453 /nfs/dbraw/zinc/27/64/53/145276453.db2.gz RPHHMMOJOXGYEK-NILFDRSVSA-N 1 0 303.362 2.103 10 5 DEBERO O=[N+]([O-])c1cnccc1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000358923423 147231409 /nfs/dbraw/zinc/23/14/09/147231409.db2.gz VJGYHCWXXNCSDY-HNNXBMFYSA-N 1 0 312.373 2.488 10 5 DEBERO O=C1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1 ZINC000119212365 401933989 /nfs/dbraw/zinc/93/39/89/401933989.db2.gz NICGPADSZKXPFL-UHFFFAOYSA-N 1 0 315.329 2.177 10 5 DEBERO CC[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000151315468 402028976 /nfs/dbraw/zinc/02/89/76/402028976.db2.gz ZRSNJWSUKSATLC-IRXDYDNUSA-N 1 0 321.421 2.482 10 5 DEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000124763767 402195997 /nfs/dbraw/zinc/19/59/97/402195997.db2.gz IENJTCNMVSSJJJ-NWDGAFQWSA-N 1 0 321.377 2.158 10 5 DEBERO Cc1c([C@H](C)[NH2+]C[C@]2(CCO)CCOC2)cccc1[N+](=O)[O-] ZINC000125624890 402242739 /nfs/dbraw/zinc/24/27/39/402242739.db2.gz CDCYQUKSJQWWTE-BBRMVZONSA-N 1 0 308.378 2.343 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000177012941 402359376 /nfs/dbraw/zinc/35/93/76/402359376.db2.gz WHBCSKTUFZAKAW-AWEZNQCLSA-N 1 0 305.378 2.460 10 5 DEBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183612540 402781820 /nfs/dbraw/zinc/78/18/20/402781820.db2.gz OEYAUKHVHKLGGL-GFCCVEGCSA-N 1 0 321.381 2.232 10 5 DEBERO CSc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000194746621 402814516 /nfs/dbraw/zinc/81/45/16/402814516.db2.gz AFBRIYUURIXHNF-NSHDSACASA-N 1 0 309.391 2.141 10 5 DEBERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278177979 402861378 /nfs/dbraw/zinc/86/13/78/402861378.db2.gz BKJCXRQWIIZLRP-IAQYHMDHSA-N 1 0 315.377 2.392 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000266983189 403005200 /nfs/dbraw/zinc/00/52/00/403005200.db2.gz AFTAPLCTPSBQGC-JTQLQIEISA-N 1 0 309.395 2.225 10 5 DEBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000273444460 403005227 /nfs/dbraw/zinc/00/52/27/403005227.db2.gz NUWABDFWHUGQGY-PABFRNLHSA-N 1 0 303.362 2.209 10 5 DEBERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccncc1[N+](=O)[O-] ZINC000361015912 404880114 /nfs/dbraw/zinc/88/01/14/404880114.db2.gz WMPCPGWNCSVQLR-XJKSGUPXSA-N 1 0 312.373 2.344 10 5 DEBERO C[C@H]1C[C@H](Nc2ccncc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000361044034 404891620 /nfs/dbraw/zinc/89/16/20/404891620.db2.gz REBPOGNVKPRYPN-ZFWWWQNUSA-N 1 0 312.373 2.487 10 5 DEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000435059206 404953867 /nfs/dbraw/zinc/95/38/67/404953867.db2.gz VMLFHBBQQBIBKT-SDSFWRRZSA-N 1 0 315.373 2.210 10 5 DEBERO Cc1c(NC(=O)CC[N@H+]2CCOCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000367740291 405139771 /nfs/dbraw/zinc/13/97/71/405139771.db2.gz KOFRVZVJQDIQLT-LBPRGKRZSA-N 1 0 321.377 2.343 10 5 DEBERO CCc1cc(I)c([N+](=O)[O-])c(C[NH3+])c1 ZINC000575724656 406824539 /nfs/dbraw/zinc/82/45/39/406824539.db2.gz AQMGJXRZFJYKFH-UHFFFAOYSA-N 1 0 306.103 2.221 10 5 DEBERO [NH3+]C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1Br ZINC000131849227 196203946 /nfs/dbraw/zinc/20/39/46/196203946.db2.gz VRNCXKXNWYKNDX-LLVKDONJSA-N 1 0 314.183 2.280 10 5 DEBERO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132701653 196277396 /nfs/dbraw/zinc/27/73/96/196277396.db2.gz HGKQVROLYSHHTA-JTQLQIEISA-N 1 0 311.769 2.368 10 5 DEBERO CC(C)[N@@H+]1CC[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000514758794 269330185 /nfs/dbraw/zinc/33/01/85/269330185.db2.gz PYDRDMUIIMOIEW-NSHDSACASA-N 1 0 301.350 2.433 10 5 DEBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC1C[NH2+]C1 ZINC000090289379 275041666 /nfs/dbraw/zinc/04/16/66/275041666.db2.gz LFABDGMMFAHDJJ-UHFFFAOYSA-N 1 0 323.150 2.289 10 5 DEBERO CC[NH2+][C@H](C)CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000387614567 333135146 /nfs/dbraw/zinc/13/51/46/333135146.db2.gz ZRJQFRQKRFOIDO-SSDOTTSWSA-N 1 0 303.160 2.162 10 5 DEBERO CO[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000226422172 523997497 /nfs/dbraw/zinc/99/74/97/523997497.db2.gz UDELMTHLHIXEMK-OLZOCXBDSA-N 1 0 313.785 2.186 10 5 DEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000248406019 536167189 /nfs/dbraw/zinc/16/71/89/536167189.db2.gz RXYSVHIISWOQGV-RYUDHWBXSA-N 1 0 319.365 2.080 10 5 DEBERO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C[C@H](O)C1CC1 ZINC000162175267 625355627 /nfs/dbraw/zinc/35/56/27/625355627.db2.gz HOIPIQJMMUASGI-LBPRGKRZSA-N 1 0 315.167 2.218 10 5 DEBERO C/C(=C\C(=O)NCC[N@H+]1CC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752500248 639190384 /nfs/dbraw/zinc/19/03/84/639190384.db2.gz CGNZZECSHFCKKW-MBFWDRTGSA-N 1 0 317.389 2.456 10 5 DEBERO C/C(=C\C(=O)NCC1=CC[N@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752756007 639216043 /nfs/dbraw/zinc/21/60/43/639216043.db2.gz UNICFBBDNCPJTJ-ACCUITESSA-N 1 0 315.373 2.376 10 5 DEBERO COc1ccccc1C[C@H]1CCCN1Cn1nccc1[N+](=O)[O-] ZINC000120278603 684094418 /nfs/dbraw/zinc/09/44/18/684094418.db2.gz SSRKAQSAOVQVLX-CQSZACIVSA-N 1 0 316.361 2.465 10 5 DEBERO CC[NH2+][C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942060 192343646 /nfs/dbraw/zinc/34/36/46/192343646.db2.gz FWUSAQAHCRDVJJ-KBPBESRZSA-N 1 0 312.391 2.289 10 5 DEBERO C[C@H]([NH3+])c1nc(CC(=O)Nc2ccccc2[N+](=O)[O-])cs1 ZINC000071695697 191008118 /nfs/dbraw/zinc/00/81/18/191008118.db2.gz PSVBQPXLWPJEAD-QMMMGPOBSA-N 1 0 306.347 2.252 10 5 DEBERO C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000149472021 186049956 /nfs/dbraw/zinc/04/99/56/186049956.db2.gz CRWKKVZZQLKYJD-SKDRFNHKSA-N 1 0 311.769 2.270 10 5 DEBERO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000155777687 186112251 /nfs/dbraw/zinc/11/22/51/186112251.db2.gz YVCMWBZVPUEPPU-RISCZKNCSA-N 1 0 321.377 2.062 10 5 DEBERO C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173345540 186178673 /nfs/dbraw/zinc/17/86/73/186178673.db2.gz SWHNOPHXMPBXEE-BBRMVZONSA-N 1 0 307.394 2.092 10 5 DEBERO COc1ccc(OCC[N@@H+]2CCS[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000173663876 198238194 /nfs/dbraw/zinc/23/81/94/198238194.db2.gz BQSBCABXAHSISJ-NSHDSACASA-N 1 0 312.391 2.420 10 5 DEBERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182128676 199390394 /nfs/dbraw/zinc/39/03/94/199390394.db2.gz OISWXYGWVLJYKW-MWLCHTKSSA-N 1 0 311.769 2.334 10 5 DEBERO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000185119580 356201603 /nfs/dbraw/zinc/20/16/03/356201603.db2.gz UJSZCPHMLRVYDF-JQWIXIFHSA-N 1 0 309.341 2.048 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H]1CCCO1 ZINC000187833371 200163034 /nfs/dbraw/zinc/16/30/34/200163034.db2.gz NPULYUIETKOVDV-AWEZNQCLSA-N 1 0 321.377 2.343 10 5 DEBERO [NH3+]C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CC[C@@H]1C(F)(F)F ZINC000600952611 359869934 /nfs/dbraw/zinc/86/99/34/359869934.db2.gz QEIZOWAZQRRAFN-RQJHMYQMSA-N 1 0 310.301 2.015 10 5 DEBERO CC(=O)c1ccc(NC[C@H]2CCCC[N@@H+]2CCO)c([N+](=O)[O-])c1 ZINC000450613651 242015818 /nfs/dbraw/zinc/01/58/18/242015818.db2.gz LYYRMGCJDXKWGM-CQSZACIVSA-N 1 0 321.377 2.056 10 5 DEBERO CC(=O)[C@](C)(O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545424 243096843 /nfs/dbraw/zinc/09/68/43/243096843.db2.gz HGQMCZDUTFSAGC-GOEBONIOSA-N 1 0 306.362 2.114 10 5 DEBERO CC[C@](C)([NH3+])COc1ncc([N+](=O)[O-])cc1Br ZINC000093434582 193251590 /nfs/dbraw/zinc/25/15/90/193251590.db2.gz ILGWCYJBZSAPDX-JTQLQIEISA-N 1 0 304.144 2.259 10 5 DEBERO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@@H]1CC[NH2+]C1 ZINC000097368782 193711631 /nfs/dbraw/zinc/71/16/31/193711631.db2.gz ZOUKJPWVFHMPBT-ZCFIWIBFSA-N 1 0 305.103 2.237 10 5 DEBERO C[NH+](C)CCNC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000037247253 182875989 /nfs/dbraw/zinc/87/59/89/182875989.db2.gz SPGIISLOUOSTQA-UHFFFAOYSA-N 1 0 306.149 2.193 10 5 DEBERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000040749685 183128764 /nfs/dbraw/zinc/12/87/64/183128764.db2.gz DDEZRCDQWAPZPE-FGWVZKOKSA-N 1 0 309.753 2.343 10 5 DEBERO CCC[NH2+][C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043301197 183352268 /nfs/dbraw/zinc/35/22/68/183352268.db2.gz BKMAIQVMUAVFBS-GXTWGEPZSA-N 1 0 312.391 2.070 10 5 DEBERO CN(CCC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000538314311 285031291 /nfs/dbraw/zinc/03/12/91/285031291.db2.gz FBCZLMGYLTXXNM-UHFFFAOYSA-N 1 0 313.785 2.201 10 5 DEBERO CC(C)[N@H+]1C[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000158757703 197299415 /nfs/dbraw/zinc/29/94/15/197299415.db2.gz NMCNTOGVCWFBEB-WFASDCNBSA-N 1 0 320.393 2.123 10 5 DEBERO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000262558309 285171336 /nfs/dbraw/zinc/17/13/36/285171336.db2.gz USAQKJPGOYDKET-DTWKUNHWSA-N 1 0 316.283 2.054 10 5 DEBERO COc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000155365956 197048292 /nfs/dbraw/zinc/04/82/92/197048292.db2.gz HDEMZTXUZXXCPX-AAEUAGOBSA-N 1 0 321.377 2.062 10 5 DEBERO COc1cccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000194677430 533418602 /nfs/dbraw/zinc/41/86/02/533418602.db2.gz PMYOKGYQSMNLRA-YPMHNXCESA-N 1 0 321.377 2.062 10 5 DEBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+]2CCC1CC2 ZINC000188860400 145018401 /nfs/dbraw/zinc/01/84/01/145018401.db2.gz IJBZVKPCNQSDIN-UHFFFAOYSA-N 1 0 317.389 2.440 10 5 DEBERO O=[N+]([O-])c1ccc(CN2CCC[N@@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000193822053 145090348 /nfs/dbraw/zinc/09/03/48/145090348.db2.gz JLCVQEKMHODGLC-UHFFFAOYSA-N 1 0 320.349 2.173 10 5 DEBERO CCOCC[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000247810038 145144541 /nfs/dbraw/zinc/14/45/41/145144541.db2.gz UQSUKNKBOARDKK-CQSZACIVSA-N 1 0 307.394 2.137 10 5 DEBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000261812451 145229103 /nfs/dbraw/zinc/22/91/03/145229103.db2.gz JTPWXUOWCIDBPU-JHJIOBLFSA-N 1 0 303.362 2.231 10 5 DEBERO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262354756 145278596 /nfs/dbraw/zinc/27/85/96/145278596.db2.gz FSVHJAXXRFFPBQ-ZNMIVQPWSA-N 1 0 317.389 2.174 10 5 DEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000113231276 401771952 /nfs/dbraw/zinc/77/19/52/401771952.db2.gz JMFCQFPUVPWBGQ-CMPLNLGQSA-N 1 0 307.325 2.043 10 5 DEBERO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917110 401918392 /nfs/dbraw/zinc/91/83/92/401918392.db2.gz HPXKWHBAKNNITN-GHMZBOCLSA-N 1 0 309.391 2.261 10 5 DEBERO Cc1c(CC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000123016228 402106057 /nfs/dbraw/zinc/10/60/57/402106057.db2.gz HGAAYSQVFFHTLX-SWLSCSKDSA-N 1 0 317.389 2.141 10 5 DEBERO C[C@]1(C(N)=O)CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000185910393 402388217 /nfs/dbraw/zinc/38/82/17/402388217.db2.gz VFMWNBBXFJXEJD-MRXNPFEDSA-N 1 0 321.377 2.094 10 5 DEBERO CC[C@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000245684861 402479365 /nfs/dbraw/zinc/47/93/65/402479365.db2.gz ALUKFQZCJFCRSG-HOCLYGCPSA-N 1 0 321.421 2.180 10 5 DEBERO CCc1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000174149333 402728502 /nfs/dbraw/zinc/72/85/02/402728502.db2.gz UMHFQZPNAPMEBK-UHFFFAOYSA-N 1 0 317.389 2.468 10 5 DEBERO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000174470366 402742775 /nfs/dbraw/zinc/74/27/75/402742775.db2.gz ZXJNKWMADKLZDO-CYBMUJFWSA-N 1 0 305.378 2.317 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183161802 402743645 /nfs/dbraw/zinc/74/36/45/402743645.db2.gz WSQWUCWVGVGKPG-IUODEOHRSA-N 1 0 321.377 2.389 10 5 DEBERO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C2CC2)CC1 ZINC000175134003 402781722 /nfs/dbraw/zinc/78/17/22/402781722.db2.gz FGNYXJSHUIIEDY-UHFFFAOYSA-N 1 0 305.378 2.274 10 5 DEBERO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000174838461 402759609 /nfs/dbraw/zinc/75/96/09/402759609.db2.gz CSPIXOPGUJBUKI-LLVKDONJSA-N 1 0 307.379 2.127 10 5 DEBERO O=[N+]([O-])c1cnn(CC[N@H+](C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000174876459 402760649 /nfs/dbraw/zinc/76/06/49/402760649.db2.gz PCQZYHUAHUHVCV-HNNXBMFYSA-N 1 0 308.382 2.215 10 5 DEBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000194730949 402813215 /nfs/dbraw/zinc/81/32/15/402813215.db2.gz QZRSTKTYJFSEKH-AAEUAGOBSA-N 1 0 323.418 2.286 10 5 DEBERO COc1cc(CN2CCC[N@@H+](C3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000184258092 402830623 /nfs/dbraw/zinc/83/06/23/402830623.db2.gz PMENEKWCMQONQZ-UHFFFAOYSA-N 1 0 323.368 2.413 10 5 DEBERO Cn1cc([C@@H](CNc2cccc(F)c2[N+](=O)[O-])[NH+](C)C)cn1 ZINC000301306299 403613593 /nfs/dbraw/zinc/61/35/93/403613593.db2.gz YRJDSXLMBMCHHZ-CYBMUJFWSA-N 1 0 307.329 2.182 10 5 DEBERO CCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000301398295 403623715 /nfs/dbraw/zinc/62/37/15/403623715.db2.gz OIRSTGNVISHHQQ-UHFFFAOYSA-N 1 0 321.377 2.304 10 5 DEBERO C[C@H](CNc1ccncc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000347300670 403656100 /nfs/dbraw/zinc/65/61/00/403656100.db2.gz DONPLWQLIBHKPE-CYBMUJFWSA-N 1 0 300.362 2.344 10 5 DEBERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000131433077 196167980 /nfs/dbraw/zinc/16/79/80/196167980.db2.gz VIVTZDDPMYYMMJ-CYBMUJFWSA-N 1 0 320.393 2.226 10 5 DEBERO CC[NH2+][C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CC ZINC000132785242 196283572 /nfs/dbraw/zinc/28/35/72/196283572.db2.gz ZXROZDLLCPGLQX-FZMZJTMJSA-N 1 0 314.407 2.393 10 5 DEBERO C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000134079057 196359446 /nfs/dbraw/zinc/35/94/46/196359446.db2.gz ZHEFSVTUEITSGM-BQBZGAKWSA-N 1 0 316.155 2.279 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000188852661 225036420 /nfs/dbraw/zinc/03/64/20/225036420.db2.gz PMNHPTXQHAAOFB-UHFFFAOYSA-N 1 0 306.366 2.461 10 5 DEBERO COc1cc(N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000268245265 274096513 /nfs/dbraw/zinc/09/65/13/274096513.db2.gz VZOZZKHCSOVKJP-UHFFFAOYSA-N 1 0 309.341 2.275 10 5 DEBERO Cc1c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247507601 525640721 /nfs/dbraw/zinc/64/07/21/525640721.db2.gz YDCTVRFJTNQLFM-BXUZGUMPSA-N 1 0 305.378 2.362 10 5 DEBERO Cc1c(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245983902 525689679 /nfs/dbraw/zinc/68/96/79/525689679.db2.gz YZQIKTSXQCAJLS-SWLSCSKDSA-N 1 0 319.405 2.387 10 5 DEBERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000157998327 527588279 /nfs/dbraw/zinc/58/82/79/527588279.db2.gz HBGOGLVVGGXWLD-NSHDSACASA-N 1 0 320.397 2.402 10 5 DEBERO C[C@H]1[C@H]([NH3+])CCN1c1cc(Br)ccc1[N+](=O)[O-] ZINC000261548563 635892107 /nfs/dbraw/zinc/89/21/07/635892107.db2.gz JQWLHJZRGQDZDV-IONNQARKSA-N 1 0 300.156 2.283 10 5 DEBERO C/C(=C\C(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752119783 639157185 /nfs/dbraw/zinc/15/71/85/639157185.db2.gz FLFYMHXBMSFCMG-UELRPHRMSA-N 1 0 317.389 2.456 10 5 DEBERO COCCOC[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000174115030 646791211 /nfs/dbraw/zinc/79/12/11/646791211.db2.gz OKYYZJJQYNNLGS-GFCCVEGCSA-N 1 0 312.341 2.219 10 5 DEBERO CC[C@@H]([NH2+]C1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000036331419 683880871 /nfs/dbraw/zinc/88/08/71/683880871.db2.gz CUGHIDDDUWKOKN-CQSZACIVSA-N 1 0 312.391 2.213 10 5 DEBERO Cc1cc(F)cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000133536594 684221081 /nfs/dbraw/zinc/22/10/81/684221081.db2.gz QVAMFKRQDKOODF-WCQYABFASA-N 1 0 321.352 2.351 10 5 DEBERO Cc1csc([C@@H]2CCCN(Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000195305412 685094009 /nfs/dbraw/zinc/09/40/09/685094009.db2.gz LCYBYPJDFHSZOR-LLVKDONJSA-N 1 0 307.379 2.393 10 5 DEBERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000248262055 685156071 /nfs/dbraw/zinc/15/60/71/685156071.db2.gz WNNDGAJGPMJNLW-OAHLLOKOSA-N 1 0 322.361 2.108 10 5 DEBERO C[N+](C)(C)C[C@@H](O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000112999852 717149288 /nfs/dbraw/zinc/14/92/88/717149288.db2.gz DLFGTURTUYBHKE-QGZVFWFLSA-N 1 0 314.405 2.364 10 5 DEBERO CCC[C@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH2+]CC ZINC000081942809 192343614 /nfs/dbraw/zinc/34/36/14/192343614.db2.gz DSPXIPQYLYQUMK-LLVKDONJSA-N 1 0 300.380 2.147 10 5 DEBERO CC[NH2+][C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000081942330 192343787 /nfs/dbraw/zinc/34/37/87/192343787.db2.gz OKYNAZDWBDFKQR-ZDUSSCGKSA-N 1 0 314.407 2.393 10 5 DEBERO CN(c1cc(Br)ccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000087834898 185232945 /nfs/dbraw/zinc/23/29/45/185232945.db2.gz NYLZGQFWPVILEP-VIFPVBQESA-N 1 0 300.156 2.155 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000183329572 199576606 /nfs/dbraw/zinc/57/66/06/199576606.db2.gz LYRXIEOJLXGTFC-UHFFFAOYSA-N 1 0 317.389 2.490 10 5 DEBERO COc1ccc(NC(=O)c2ccccc2C[NH3+])c([N+](=O)[O-])c1 ZINC000071699634 191009851 /nfs/dbraw/zinc/00/98/51/191009851.db2.gz UGCKMQFVSPBZGU-UHFFFAOYSA-N 1 0 301.302 2.314 10 5 DEBERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067724730 354776134 /nfs/dbraw/zinc/77/61/34/354776134.db2.gz BOPDADIMNCJXLU-LBPRGKRZSA-N 1 0 308.382 2.124 10 5 DEBERO CCOC(=O)CCC[NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000081545358 192287569 /nfs/dbraw/zinc/28/75/69/192287569.db2.gz FHVWBRXVOXOCQP-UHFFFAOYSA-N 1 0 302.277 2.306 10 5 DEBERO Cc1c(Br)c(N[C@@H](C)[C@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000381419126 356670667 /nfs/dbraw/zinc/67/06/67/356670667.db2.gz ADOHNAZOAZNYRP-BQBZGAKWSA-N 1 0 303.160 2.208 10 5 DEBERO CC1([NH3+])CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000591435782 357721410 /nfs/dbraw/zinc/72/14/10/357721410.db2.gz WJSLBSMLQLWPSA-UHFFFAOYSA-N 1 0 315.171 2.070 10 5 DEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@]1(O)CCOC1 ZINC000593670217 358119963 /nfs/dbraw/zinc/11/99/63/358119963.db2.gz GIAFNHJQNPNZOU-WQMJKPAKSA-N 1 0 306.362 2.129 10 5 DEBERO [NH3+][C@H]1CCC[C@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000093434314 193250313 /nfs/dbraw/zinc/25/03/13/193250313.db2.gz DHJUSNIZWCHRPL-DTWKUNHWSA-N 1 0 301.144 2.044 10 5 DEBERO [NH3+]C1CCC(Oc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000093434578 193252036 /nfs/dbraw/zinc/25/20/36/193252036.db2.gz UNUODBWPNDCSIA-UHFFFAOYSA-N 1 0 316.155 2.401 10 5 DEBERO O=[N+]([O-])c1cc(Br)cnc1OC[C@@H]1CCC[NH2+]C1 ZINC000051883221 183840361 /nfs/dbraw/zinc/84/03/61/183840361.db2.gz WCURCFWDLVASBI-MRVPVSSYSA-N 1 0 316.155 2.131 10 5 DEBERO C[NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])cc1Br ZINC000269964522 208016492 /nfs/dbraw/zinc/01/64/92/208016492.db2.gz MRVCOMDQTYJKEJ-UHFFFAOYSA-N 1 0 303.160 2.162 10 5 DEBERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000360396166 133179626 /nfs/dbraw/zinc/17/96/26/133179626.db2.gz RIWCTENIKYHPPS-LLVKDONJSA-N 1 0 322.365 2.067 10 5 DEBERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccc(F)cc1[N+](=O)[O-] ZINC000188748033 145016897 /nfs/dbraw/zinc/01/68/97/145016897.db2.gz WXROFVBSVRGSTK-UHFFFAOYSA-N 1 0 315.304 2.267 10 5 DEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247310420 145132875 /nfs/dbraw/zinc/13/28/75/145132875.db2.gz HLAJVAIKQZPGFJ-XJKSGUPXSA-N 1 0 319.405 2.326 10 5 DEBERO COc1ccc(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000261901208 145239609 /nfs/dbraw/zinc/23/96/09/145239609.db2.gz OWPNZNIZONPUIZ-CQSZACIVSA-N 1 0 321.377 2.111 10 5 DEBERO Cc1ccc([C@H](C)NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262332689 145277449 /nfs/dbraw/zinc/27/74/49/145277449.db2.gz FQVJSXKQVLWXBY-OBJOEFQTSA-N 1 0 305.378 2.469 10 5 DEBERO CC(C)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCOCC1 ZINC000077323385 401810479 /nfs/dbraw/zinc/81/04/79/401810479.db2.gz GCISNPIHSQQPAE-UHFFFAOYSA-N 1 0 321.377 2.083 10 5 DEBERO Cn1cc([C@@H]2CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000116319219 401849649 /nfs/dbraw/zinc/84/96/49/401849649.db2.gz HXPFLNGGIRVHKW-CYBMUJFWSA-N 1 0 316.361 2.197 10 5 DEBERO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037989899 401919725 /nfs/dbraw/zinc/91/97/25/401919725.db2.gz KFNDYHGIJRQCKQ-LLVKDONJSA-N 1 0 309.753 2.168 10 5 DEBERO C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000089710351 401958576 /nfs/dbraw/zinc/95/85/76/401958576.db2.gz ORCNNRBEEHXDEQ-TVQRCGJNSA-N 1 0 311.769 2.270 10 5 DEBERO C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000149472235 401993148 /nfs/dbraw/zinc/99/31/48/401993148.db2.gz CRWKKVZZQLKYJD-CABZTGNLSA-N 1 0 311.769 2.270 10 5 DEBERO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C[C@@H]1CC ZINC000150768627 401994270 /nfs/dbraw/zinc/99/42/70/401994270.db2.gz CDZLYQFHYGLAJJ-AWEZNQCLSA-N 1 0 322.409 2.235 10 5 DEBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000119376130 401945960 /nfs/dbraw/zinc/94/59/60/401945960.db2.gz QZNNWWMGIJCQQN-CYBMUJFWSA-N 1 0 320.393 2.027 10 5 DEBERO Cc1ccc([C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000151283672 402027519 /nfs/dbraw/zinc/02/75/19/402027519.db2.gz LFMBLRFXLUPUJC-ZBFHGGJFSA-N 1 0 321.421 2.401 10 5 DEBERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000052594149 402044476 /nfs/dbraw/zinc/04/44/76/402044476.db2.gz ZRBZUPPYGBZQOD-CQSZACIVSA-N 1 0 320.393 2.221 10 5 DEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)[C@H](C)C1 ZINC000122620632 402087662 /nfs/dbraw/zinc/08/76/62/402087662.db2.gz MYCDFIISYQGHEB-IAQYHMDHSA-N 1 0 320.393 2.101 10 5 DEBERO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123540138 402133136 /nfs/dbraw/zinc/13/31/36/402133136.db2.gz ZGKZWJRMRGIWLA-PWSUYJOCSA-N 1 0 309.341 2.289 10 5 DEBERO Cc1ccc([C@@H](C)[NH2+]C[C@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000125590568 402240375 /nfs/dbraw/zinc/24/03/75/402240375.db2.gz GBZJVUMVTIXVLC-CJNGLKHVSA-N 1 0 308.378 2.343 10 5 DEBERO O=[N+]([O-])c1ccc(OCCN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000177778777 402435486 /nfs/dbraw/zinc/43/54/86/402435486.db2.gz USFJOSCBFSLMIX-OAHLLOKOSA-N 1 0 305.378 2.144 10 5 DEBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170859995 402533563 /nfs/dbraw/zinc/53/35/63/402533563.db2.gz QETSHBXUXRZJQO-DGCLKSJQSA-N 1 0 323.418 2.238 10 5 DEBERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccccc1[N+](=O)[O-] ZINC000191170458 402647542 /nfs/dbraw/zinc/64/75/42/402647542.db2.gz AVHOMDAXNQJNLP-KYOSRNDESA-N 1 0 304.346 2.368 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000183383941 402762143 /nfs/dbraw/zinc/76/21/43/402762143.db2.gz BYIMWWJSBLJQBK-OAHLLOKOSA-N 1 0 319.405 2.057 10 5 DEBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000273514263 403011354 /nfs/dbraw/zinc/01/13/54/403011354.db2.gz UUVDLGHLYOWDHR-ACCUITESSA-N 1 0 315.373 2.376 10 5 DEBERO CC(C)[N@@H+]1CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000288616905 403759404 /nfs/dbraw/zinc/75/94/04/403759404.db2.gz XLOKOMMBQTXRRQ-SECBINFHSA-N 1 0 307.379 2.494 10 5 DEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC12CCC2 ZINC000373098380 404528720 /nfs/dbraw/zinc/52/87/20/404528720.db2.gz JCKRHDXROPGUEH-CYBMUJFWSA-N 1 0 306.362 2.353 10 5 DEBERO C[C@H]1C[C@@H](Nc2ccncc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000361044031 404891793 /nfs/dbraw/zinc/89/17/93/404891793.db2.gz REBPOGNVKPRYPN-DZGCQCFKSA-N 1 0 312.373 2.487 10 5 DEBERO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000467356077 406095818 /nfs/dbraw/zinc/09/58/18/406095818.db2.gz UAQJMRYWKFTLGB-WOPDTQHZSA-N 1 0 309.366 2.325 10 5 DEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000572754266 406733140 /nfs/dbraw/zinc/73/31/40/406733140.db2.gz SOLBWXQJAXJQJF-QWHCGFSZSA-N 1 0 307.398 2.183 10 5 DEBERO CC[C@H](C)[C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH2+]C ZINC000132785673 196283279 /nfs/dbraw/zinc/28/32/79/196283279.db2.gz QPHZBVOTCHYTCF-GXFFZTMASA-N 1 0 300.380 2.003 10 5 DEBERO C[N@@H+]1CCC[C@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@@H]21 ZINC000278170442 277084997 /nfs/dbraw/zinc/08/49/97/277084997.db2.gz AYNSYDVLRVVFDF-NHYWBVRUSA-N 1 0 315.377 2.392 10 5 DEBERO CO[C@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000226419586 523996537 /nfs/dbraw/zinc/99/65/37/523996537.db2.gz AXOHOVWVERAHRU-NEPJUHHUSA-N 1 0 313.785 2.186 10 5 DEBERO CC(C)C[N@@H+]1CC[C@H](CNc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302060952 528026722 /nfs/dbraw/zinc/02/67/22/528026722.db2.gz SAZOYMHAYKWCJA-CQSZACIVSA-N 1 0 307.394 2.477 10 5 DEBERO COC1([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000453186062 536706480 /nfs/dbraw/zinc/70/64/80/536706480.db2.gz WNWWASBJDVPVEO-CYBMUJFWSA-N 1 0 308.378 2.311 10 5 DEBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)CCO2 ZINC000181441266 625369401 /nfs/dbraw/zinc/36/94/01/625369401.db2.gz JCLJFACDRZAQNJ-LLVKDONJSA-N 1 0 302.334 2.077 10 5 DEBERO C/C(=C/C(=O)NCC[N@H+]1CC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752500250 639190941 /nfs/dbraw/zinc/19/09/41/639190941.db2.gz CGNZZECSHFCKKW-UROBUVALSA-N 1 0 317.389 2.456 10 5 DEBERO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000044538506 683904275 /nfs/dbraw/zinc/90/42/75/683904275.db2.gz IFAKVUDKAPAZKE-JTQLQIEISA-N 1 0 311.769 2.320 10 5 DEBERO c1sc(Cc2ccccc2)nc1C[N+]12CCN(CC1)CC2 ZINC000055051159 717130350 /nfs/dbraw/zinc/13/03/50/717130350.db2.gz IUTRSEWPZUBPSJ-UHFFFAOYSA-N 1 0 300.451 2.380 10 5 DEBERO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)cs1 ZINC000720410063 1089723647 /nfs/dbraw/zinc/72/36/47/1089723647.db2.gz HZAZXFNSGLRZNH-VXGBXAGGSA-N 1 0 313.448 2.326 10 5 DEBERO C[NH+](C)C[C@H]1CSCCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000090699881 185310460 /nfs/dbraw/zinc/31/04/60/185310460.db2.gz KSSWEZSFWYHCJS-AWEZNQCLSA-N 1 0 323.418 2.104 10 5 DEBERO C[C@@H](O)c1cc([N+](=O)[O-])c(N(C)CC2CC[NH+](C)CC2)s1 ZINC000167512713 197709222 /nfs/dbraw/zinc/70/92/22/197709222.db2.gz NRRFGWFCKNKUMA-SNVBAGLBSA-N 1 0 313.423 2.488 10 5 DEBERO CCCS(=O)(=O)CC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181562165 199317843 /nfs/dbraw/zinc/31/78/43/199317843.db2.gz NPPICKDWXQMZPL-AWEZNQCLSA-N 1 0 314.407 2.460 10 5 DEBERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000155977294 186124946 /nfs/dbraw/zinc/12/49/46/186124946.db2.gz DHFLOTZVFBKZAE-SNVBAGLBSA-N 1 0 311.769 2.414 10 5 DEBERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000155977163 186124955 /nfs/dbraw/zinc/12/49/55/186124955.db2.gz DHFLOTZVFBKZAE-JTQLQIEISA-N 1 0 311.769 2.414 10 5 DEBERO CC(C)(NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000261693260 535232384 /nfs/dbraw/zinc/23/23/84/535232384.db2.gz HUKDSKUDJHBENN-BXUZGUMPSA-N 1 0 305.378 2.321 10 5 DEBERO COc1ccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1F ZINC000181996979 356103416 /nfs/dbraw/zinc/10/34/16/356103416.db2.gz YVJLSNJWDPSMLD-SNVBAGLBSA-N 1 0 308.313 2.290 10 5 DEBERO Cc1cc(N(C)CCC[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000234296700 356286957 /nfs/dbraw/zinc/28/69/57/356286957.db2.gz KPZGFTKWIKFPBX-UHFFFAOYSA-N 1 0 302.172 2.451 10 5 DEBERO [NH3+]C[C@H]1CC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000382416987 356674703 /nfs/dbraw/zinc/67/47/03/356674703.db2.gz HWKQZJCONMYPAL-CBAPKCEASA-N 1 0 315.171 2.292 10 5 DEBERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1[N+](=O)[O-] ZINC000180581783 199179807 /nfs/dbraw/zinc/17/98/07/199179807.db2.gz YGKKXBSQHTWYSF-WCQYABFASA-N 1 0 301.350 2.160 10 5 DEBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180876118 199221746 /nfs/dbraw/zinc/22/17/46/199221746.db2.gz VAUQKUFEKJIXOT-GFCCVEGCSA-N 1 0 320.393 2.027 10 5 DEBERO C[C@@H]1CC[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C[NH2+]1 ZINC000600955303 359871064 /nfs/dbraw/zinc/87/10/64/359871064.db2.gz LYGBVAGFPFSDPT-VXNVDRBHSA-N 1 0 315.171 2.305 10 5 DEBERO O=[N+]([O-])c1cc(C[NH2+]CC2CC(O)C2)ccc1Br ZINC000091538953 193070295 /nfs/dbraw/zinc/07/02/95/193070295.db2.gz XNFLUVRWUQYIAU-UHFFFAOYSA-N 1 0 315.167 2.218 10 5 DEBERO O=[N+]([O-])c1cnc(OCC2CC[NH2+]CC2)c(Br)c1 ZINC000093434563 193251651 /nfs/dbraw/zinc/25/16/51/193251651.db2.gz OISONTPYKZOBHH-UHFFFAOYSA-N 1 0 316.155 2.131 10 5 DEBERO [NH3+]CCCCC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094188577 193347822 /nfs/dbraw/zinc/34/78/22/193347822.db2.gz DUVBVRHEYNUDRW-UHFFFAOYSA-N 1 0 316.155 2.425 10 5 DEBERO C[NH+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000266407620 205323762 /nfs/dbraw/zinc/32/37/62/205323762.db2.gz QCDSSDLGKVMLBJ-JTQLQIEISA-N 1 0 301.293 2.337 10 5 DEBERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042428649 183269154 /nfs/dbraw/zinc/26/91/54/183269154.db2.gz DFQXFAXMRWSFEA-KOLCDFICSA-N 1 0 311.769 2.334 10 5 DEBERO CC(C)([NH3+])CC(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159450200 197353885 /nfs/dbraw/zinc/35/38/85/197353885.db2.gz SOWOSWYCWKYAFK-UHFFFAOYSA-N 1 0 316.155 2.423 10 5 DEBERO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000106113930 194187053 /nfs/dbraw/zinc/18/70/53/194187053.db2.gz CSBOZNNMUHDSAF-HNNXBMFYSA-N 1 0 307.394 2.137 10 5 DEBERO O=[N+]([O-])c1cc(Br)ccc1OC[C@@H]1CCC[NH2+]1 ZINC000051866185 183839766 /nfs/dbraw/zinc/83/97/66/183839766.db2.gz UVCDMDQMVWPYHQ-VIFPVBQESA-N 1 0 301.140 2.488 10 5 DEBERO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000109819069 194289104 /nfs/dbraw/zinc/28/91/04/194289104.db2.gz UYIPNDJMNOHXGX-KRWDZBQOSA-N 1 0 319.405 2.282 10 5 DEBERO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000060976582 184159042 /nfs/dbraw/zinc/15/90/42/184159042.db2.gz QYXGIRBRFIDJQM-UHFFFAOYSA-N 1 0 304.350 2.297 10 5 DEBERO O=[N+]([O-])c1cccc2ncnc(N3CC[N@@H+]4CCCC[C@H]4C3)c21 ZINC000408163479 285158690 /nfs/dbraw/zinc/15/86/90/285158690.db2.gz COAZCLZLBBDITO-LBPRGKRZSA-N 1 0 313.361 2.213 10 5 DEBERO O=[N+]([O-])c1cc(F)c(Br)cc1N1CCC[NH2+]CC1 ZINC000157756716 197212873 /nfs/dbraw/zinc/21/28/73/197212873.db2.gz ZINGVAZUSNDZRP-UHFFFAOYSA-N 1 0 318.146 2.296 10 5 DEBERO O=[N+]([O-])c1c(Cl)ncnc1N1CC[NH+](C2CCCC2)CC1 ZINC000052064209 134764690 /nfs/dbraw/zinc/76/46/90/134764690.db2.gz NRNKKBPRDHYBDC-UHFFFAOYSA-N 1 0 311.773 2.103 10 5 DEBERO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261774780 145224956 /nfs/dbraw/zinc/22/49/56/145224956.db2.gz KQSYSHGKSWTKBJ-PHIMTYICSA-N 1 0 323.780 2.320 10 5 DEBERO COc1ccc([N+](=O)[O-])cc1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261854559 145233917 /nfs/dbraw/zinc/23/39/17/145233917.db2.gz DWFIABFMUUVKJD-NNQSOWQGSA-N 1 0 305.378 2.318 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOCC[C@@H]1C ZINC000374982712 148312195 /nfs/dbraw/zinc/31/21/95/148312195.db2.gz UMLLSJOSQJFTDW-ZDUSSCGKSA-N 1 0 321.377 2.343 10 5 DEBERO C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000127286165 401727404 /nfs/dbraw/zinc/72/74/04/401727404.db2.gz HOCCOTCOFUYYEA-AOOOYVTPSA-N 1 0 311.769 2.413 10 5 DEBERO Cc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000113223825 401770546 /nfs/dbraw/zinc/77/05/46/401770546.db2.gz ASTFOSZLDDLIEH-JSGCOSHPSA-N 1 0 303.362 2.212 10 5 DEBERO C[NH+](C)CC1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130262148 401825109 /nfs/dbraw/zinc/82/51/09/401825109.db2.gz TWAUUNXIWFTMQF-UHFFFAOYSA-N 1 0 319.405 2.374 10 5 DEBERO Cn1cc([C@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000116317422 401849401 /nfs/dbraw/zinc/84/94/01/401849401.db2.gz MTNJCWXWTDNOSY-AWEZNQCLSA-N 1 0 300.362 2.360 10 5 DEBERO C[NH+](C)CC1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000129936359 401812741 /nfs/dbraw/zinc/81/27/41/401812741.db2.gz IIVJKRHTBSRIPQ-UHFFFAOYSA-N 1 0 305.378 2.445 10 5 DEBERO C[C@H](CO)[C@H](C)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000077421651 401814838 /nfs/dbraw/zinc/81/48/38/401814838.db2.gz FFTFHYGUIQPXCE-BDAKNGLRSA-N 1 0 317.183 2.464 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000119053360 401921995 /nfs/dbraw/zinc/92/19/95/401921995.db2.gz BHDLAPSVVDXGAT-CJNGLKHVSA-N 1 0 317.389 2.460 10 5 DEBERO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000051536334 402034702 /nfs/dbraw/zinc/03/47/02/402034702.db2.gz KEQBZMZRGGMUDF-AWEZNQCLSA-N 1 0 304.350 2.297 10 5 DEBERO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000124626410 402188666 /nfs/dbraw/zinc/18/86/66/402188666.db2.gz JADXZNQAFYUYQL-OCCSQVGLSA-N 1 0 305.378 2.458 10 5 DEBERO C[C@@H]1C[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000124015751 402159489 /nfs/dbraw/zinc/15/94/89/402159489.db2.gz UEWPZUDCWSMFKD-UKRRQHHQSA-N 1 0 307.394 2.388 10 5 DEBERO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000176869676 402344674 /nfs/dbraw/zinc/34/46/74/402344674.db2.gz MIUDCRQQONBVOC-VXGBXAGGSA-N 1 0 320.393 2.040 10 5 DEBERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000161389168 402385497 /nfs/dbraw/zinc/38/54/97/402385497.db2.gz LNHVVLCEVHDZKY-GWCFXTLKSA-N 1 0 309.341 2.192 10 5 DEBERO CO[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000189276853 402533088 /nfs/dbraw/zinc/53/30/88/402533088.db2.gz CKBWRQMWZOSRKV-DOMZBBRYSA-N 1 0 321.377 2.280 10 5 DEBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170857369 402533628 /nfs/dbraw/zinc/53/36/28/402533628.db2.gz XBECFJLBICBGBB-SNVBAGLBSA-N 1 0 309.391 2.093 10 5 DEBERO COc1cc(N2CC[N@@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000268118036 403050612 /nfs/dbraw/zinc/05/06/12/403050612.db2.gz ANTVJRQYPVSIHZ-NSHDSACASA-N 1 0 309.341 2.417 10 5 DEBERO CCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000301270492 403609549 /nfs/dbraw/zinc/60/95/49/403609549.db2.gz JJTGUDXOAHMQNR-UHFFFAOYSA-N 1 0 308.338 2.425 10 5 DEBERO Cc1cc(NC[C@H](c2cnn(C)c2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301288711 403611295 /nfs/dbraw/zinc/61/12/95/403611295.db2.gz NZNASYBKBQQSNW-OAHLLOKOSA-N 1 0 303.366 2.352 10 5 DEBERO C[C@@H](CNc1ccncc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000347300675 403655990 /nfs/dbraw/zinc/65/59/90/403655990.db2.gz DONPLWQLIBHKPE-ZDUSSCGKSA-N 1 0 300.362 2.344 10 5 DEBERO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000408068172 405103214 /nfs/dbraw/zinc/10/32/14/405103214.db2.gz HJCXXDRNGSBRBB-WDEREUQCSA-N 1 0 316.361 2.241 10 5 DEBERO CCOc1ccc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000449692760 405695250 /nfs/dbraw/zinc/69/52/50/405695250.db2.gz BOHKZDWYNYGCNZ-CQSZACIVSA-N 1 0 321.377 2.111 10 5 DEBERO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2ccc([N+](=O)[O-])nc2)C[C@H](C)O1 ZINC000450457322 405908035 /nfs/dbraw/zinc/90/80/35/405908035.db2.gz RPRITGBZEXAZKL-GUTXKFCHSA-N 1 0 320.393 2.068 10 5 DEBERO CC[NH2+][C@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](C)CC ZINC000132786533 196282980 /nfs/dbraw/zinc/28/29/80/196282980.db2.gz VVQNHFRSXFXPJC-NWDGAFQWSA-N 1 0 314.407 2.393 10 5 DEBERO Cc1cc(N2CC[C@H](C[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000235854193 274710787 /nfs/dbraw/zinc/71/07/87/274710787.db2.gz QREGEWPBEUGVQP-SECBINFHSA-N 1 0 314.183 2.451 10 5 DEBERO CO[C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000226421063 277743957 /nfs/dbraw/zinc/74/39/57/277743957.db2.gz QMHSQKVBVYVILP-OLZOCXBDSA-N 1 0 313.785 2.186 10 5 DEBERO CS[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@H]1[NH+]1CCCC1 ZINC000445595534 278157210 /nfs/dbraw/zinc/15/72/10/278157210.db2.gz FUDLDAOUHKHHNJ-CHWSQXEVSA-N 1 0 308.407 2.006 10 5 DEBERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000229605044 525553428 /nfs/dbraw/zinc/55/34/28/525553428.db2.gz QEQFDRCFVBPHLG-OIBJUYFYSA-N 1 0 315.171 2.305 10 5 DEBERO COc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000262553455 536831786 /nfs/dbraw/zinc/83/17/86/536831786.db2.gz SUUPNJLKRHPBJW-HOSYDEDBSA-N 1 0 309.341 2.306 10 5 DEBERO [NH3+][C@@H]1CC[C@H](CNc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000311144979 625251781 /nfs/dbraw/zinc/25/17/81/625251781.db2.gz LZIAJFHZWYHJEP-JGVFFNPUSA-N 1 0 315.171 2.292 10 5 DEBERO CC[N@@H+]1CC[C@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000712536422 792200271 /nfs/dbraw/zinc/20/02/71/792200271.db2.gz SEKDMOVVUIVTDO-VIFPVBQESA-N 1 0 315.171 2.258 10 5 DEBERO [NH3+]C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000720877459 1086316730 /nfs/dbraw/zinc/31/67/30/1086316730.db2.gz PSNXBXMWRIERRQ-DTWKUNHWSA-N 1 0 309.313 2.225 10 5 DEBERO [NH3+][C@@H]1CCC2(C[C@H]1Sc1ccccc1[N+](=O)[O-])OCCO2 ZINC000081777032 192322812 /nfs/dbraw/zinc/32/28/12/192322812.db2.gz ZWUKAFFAICCHNM-ZWNOBZJWSA-N 1 0 310.375 2.310 10 5 DEBERO [NH3+][C@@]1(Cc2ccc(Br)cc2[N+](=O)[O-])CCOC1 ZINC000162494479 197570430 /nfs/dbraw/zinc/57/04/30/197570430.db2.gz QGZLVXWAFRNDCD-LLVKDONJSA-N 1 0 301.140 2.018 10 5 DEBERO CC[NH2+][C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942757 192343848 /nfs/dbraw/zinc/34/38/48/192343848.db2.gz ILTVPQMRGQCZBM-YPMHNXCESA-N 1 0 312.391 2.289 10 5 DEBERO CCC[NH2+][C@H]1CCC[C@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081941947 192344206 /nfs/dbraw/zinc/34/42/06/192344206.db2.gz FPFNQRNEBQLDRX-UONOGXRCSA-N 1 0 312.391 2.289 10 5 DEBERO CCC[NH2+][C@@H](C)[C@@H](C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942526 192344344 /nfs/dbraw/zinc/34/43/44/192344344.db2.gz NQGAHQLRIPBVHY-WDEREUQCSA-N 1 0 300.380 2.145 10 5 DEBERO CC(C)[NH2+]Cc1ncnn1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000088629025 185260404 /nfs/dbraw/zinc/26/04/04/185260404.db2.gz RDPFDLMGNVZVRI-UHFFFAOYSA-N 1 0 309.757 2.386 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183161783 199547780 /nfs/dbraw/zinc/54/77/80/199547780.db2.gz WSQWUCWVGVGKPG-SWLSCSKDSA-N 1 0 321.377 2.389 10 5 DEBERO NC(=[NH2+])CCCOc1c(Br)cccc1[N+](=O)[O-] ZINC000133547402 185994235 /nfs/dbraw/zinc/99/42/35/185994235.db2.gz OWILXUVVJTYNAK-UHFFFAOYSA-N 1 0 302.128 2.452 10 5 DEBERO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000143880487 186034203 /nfs/dbraw/zinc/03/42/03/186034203.db2.gz OIBFEMZIDSFIJA-UHFFFAOYSA-N 1 0 304.350 2.297 10 5 DEBERO C[C@@H](C[NH3+])CC(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000149825561 186053272 /nfs/dbraw/zinc/05/32/72/186053272.db2.gz CYSMWVSWOMBHIT-SSDOTTSWSA-N 1 0 316.155 2.281 10 5 DEBERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000600950655 359868613 /nfs/dbraw/zinc/86/86/13/359868613.db2.gz BLOCPUNCOCKCKK-VHSXEESVSA-N 1 0 315.171 2.305 10 5 DEBERO [NH3+][C@H]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000087834822 283626825 /nfs/dbraw/zinc/62/68/25/283626825.db2.gz WBAVUKUOMVEPPJ-VIFPVBQESA-N 1 0 300.156 2.285 10 5 DEBERO CC[NH2+]CCCNc1ncc([N+](=O)[O-])cc1Br ZINC000093434263 193250982 /nfs/dbraw/zinc/25/09/82/193250982.db2.gz HNKTWJLRAIPLMV-UHFFFAOYSA-N 1 0 303.160 2.164 10 5 DEBERO CC[NH2+][C@]1(C(N)=O)CC[C@@H](Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000093848667 193316927 /nfs/dbraw/zinc/31/69/27/193316927.db2.gz QHZLJLHEVVKOCP-TZMCWYRMSA-N 1 0 309.391 2.073 10 5 DEBERO CC[C@H](C[NH3+])C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094188608 193347599 /nfs/dbraw/zinc/34/75/99/193347599.db2.gz JMHZHFDVGLHDQQ-SSDOTTSWSA-N 1 0 316.155 2.281 10 5 DEBERO CN(c1cc(F)c(Br)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000097368340 193711997 /nfs/dbraw/zinc/71/19/97/193711997.db2.gz UVZWBSAUAOCRDJ-ZETCQYMHSA-N 1 0 318.146 2.295 10 5 DEBERO C[C@@H](CO)[C@H](C)[NH2+]Cc1cc(Br)ccc1[N+](=O)[O-] ZINC000160797135 197439816 /nfs/dbraw/zinc/43/98/16/197439816.db2.gz QTJBGZJBNHTIDA-IUCAKERBSA-N 1 0 317.183 2.464 10 5 DEBERO [NH3+]CCc1ccc(CNC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000052898629 183879326 /nfs/dbraw/zinc/87/93/26/183879326.db2.gz HZAOMBCHXIYRFN-UHFFFAOYSA-N 1 0 305.359 2.088 10 5 DEBERO COCC[N@H+](C)CCNc1ccc2scnc2c1[N+](=O)[O-] ZINC000061379599 184170011 /nfs/dbraw/zinc/17/00/11/184170011.db2.gz JHYKXJFKXBWFAF-UHFFFAOYSA-N 1 0 310.379 2.195 10 5 DEBERO COCC[NH2+]Cc1ccc([N+](=O)[O-])c(OCC(F)(F)F)c1 ZINC000062733358 184251508 /nfs/dbraw/zinc/25/15/08/184251508.db2.gz SORQCFJKYRNTCR-UHFFFAOYSA-N 1 0 308.256 2.272 10 5 DEBERO O=C(c1ccc([N+](=O)[O-])s1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063189422 184277325 /nfs/dbraw/zinc/27/73/25/184277325.db2.gz XSTHKPVSTDREFE-QWRGUYRKSA-N 1 0 309.391 2.403 10 5 DEBERO Cc1ccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155335886 197045285 /nfs/dbraw/zinc/04/52/85/197045285.db2.gz SSMZUBHSLIOOHH-GXTWGEPZSA-N 1 0 305.378 2.362 10 5 DEBERO C[C@H]1OCC[C@@]1([NH3+])Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000125999702 195801699 /nfs/dbraw/zinc/80/16/99/195801699.db2.gz ANLWFJQCSPOYDI-PRHODGIISA-N 1 0 315.167 2.406 10 5 DEBERO CCOc1ccc(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000261789426 145226322 /nfs/dbraw/zinc/22/63/22/145226322.db2.gz LVWUOVMGMUVENU-WCQYABFASA-N 1 0 321.377 2.193 10 5 DEBERO Cc1sc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000115440218 401827503 /nfs/dbraw/zinc/82/75/03/401827503.db2.gz ZDLAHNPYFPDCBM-LLVKDONJSA-N 1 0 311.407 2.379 10 5 DEBERO CC[C@H](O)C[NH+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000118858346 401913096 /nfs/dbraw/zinc/91/30/96/401913096.db2.gz SAQMUYWGKSFBFO-BBRMVZONSA-N 1 0 307.394 2.044 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000119053224 401922049 /nfs/dbraw/zinc/92/20/49/401922049.db2.gz BHDLAPSVVDXGAT-BBRMVZONSA-N 1 0 317.389 2.460 10 5 DEBERO CC[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000151315527 402029142 /nfs/dbraw/zinc/02/91/42/402029142.db2.gz ZRSNJWSUKSATLC-DLBZAZTESA-N 1 0 321.421 2.482 10 5 DEBERO C[NH+]1CCC2(CCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000096088696 402057641 /nfs/dbraw/zinc/05/76/41/402057641.db2.gz USKSBKGGWVKQLO-UHFFFAOYSA-N 1 0 303.362 2.153 10 5 DEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000124764203 402195865 /nfs/dbraw/zinc/19/58/65/402195865.db2.gz IENJTCNMVSSJJJ-RYUDHWBXSA-N 1 0 321.377 2.158 10 5 DEBERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070197253 402258934 /nfs/dbraw/zinc/25/89/34/402258934.db2.gz COCHHCCAKACEKU-JTQLQIEISA-N 1 0 311.769 2.462 10 5 DEBERO Cc1sc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000108783003 402261323 /nfs/dbraw/zinc/26/13/23/402261323.db2.gz YLDFRWNHZYQRJS-JTQLQIEISA-N 1 0 309.391 2.179 10 5 DEBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000184787913 402299715 /nfs/dbraw/zinc/29/97/15/402299715.db2.gz OTYXPKUGYKCZEN-ZBFHGGJFSA-N 1 0 319.405 2.374 10 5 DEBERO Cc1c(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000177245505 402385425 /nfs/dbraw/zinc/38/54/25/402385425.db2.gz KGJLFOHKAJDABL-CXAGYDPISA-N 1 0 319.405 2.056 10 5 DEBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000186053078 402397883 /nfs/dbraw/zinc/39/78/83/402397883.db2.gz QJFKMBNULCVQJL-BYIUCRAPSA-N 1 0 315.373 2.305 10 5 DEBERO CCc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000245411861 402457896 /nfs/dbraw/zinc/45/78/96/402457896.db2.gz YVFRLMLMERPYRB-DOMZBBRYSA-N 1 0 317.389 2.466 10 5 DEBERO Cc1c(CC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000245923968 402497470 /nfs/dbraw/zinc/49/74/70/402497470.db2.gz HGAAYSQVFFHTLX-IUODEOHRSA-N 1 0 317.389 2.141 10 5 DEBERO CO[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000189276871 402533368 /nfs/dbraw/zinc/53/33/68/402533368.db2.gz CKBWRQMWZOSRKV-WFASDCNBSA-N 1 0 321.377 2.280 10 5 DEBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000250145171 402645681 /nfs/dbraw/zinc/64/56/81/402645681.db2.gz ZQYMDRMVTBFOSQ-COPLHBTASA-N 1 0 323.418 2.190 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183204872 402746639 /nfs/dbraw/zinc/74/66/39/402746639.db2.gz ZTQXWJCEQOKEMH-SWLSCSKDSA-N 1 0 321.377 2.389 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000175048628 402774878 /nfs/dbraw/zinc/77/48/78/402774878.db2.gz YTOHVJMFWVALAD-HUUCEWRRSA-N 1 0 317.389 2.223 10 5 DEBERO CCOc1cccc(NC[C@H](O)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000184058095 402815227 /nfs/dbraw/zinc/81/52/27/402815227.db2.gz RNALALNYJLLPCA-ZDUSSCGKSA-N 1 0 323.393 2.252 10 5 DEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000128904245 196002230 /nfs/dbraw/zinc/00/22/30/196002230.db2.gz IHCLWIYGFUCEBC-GFCCVEGCSA-N 1 0 323.393 2.310 10 5 DEBERO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000134099391 196361712 /nfs/dbraw/zinc/36/17/12/196361712.db2.gz RQNUQBXIVWPBIO-RNFRBKRXSA-N 1 0 316.155 2.279 10 5 DEBERO CCN1CCO[C@H](C[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000134437625 196391565 /nfs/dbraw/zinc/39/15/65/196391565.db2.gz CYNIAHFFYGHADJ-GFCCVEGCSA-N 1 0 313.785 2.059 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000299592040 229240687 /nfs/dbraw/zinc/24/06/87/229240687.db2.gz FSVQYGLLIGRBSW-UHFFFAOYSA-N 1 0 303.362 2.071 10 5 DEBERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000095752519 277189129 /nfs/dbraw/zinc/18/91/29/277189129.db2.gz YKMPYFVMEXGUCS-CYBMUJFWSA-N 1 0 321.377 2.346 10 5 DEBERO CCN(CCC[NH+](C)C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000188929674 333058620 /nfs/dbraw/zinc/05/86/20/333058620.db2.gz CTDJWQAUZYPHJI-UHFFFAOYSA-N 1 0 318.377 2.490 10 5 DEBERO COc1ccc(OCC[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000248843275 524956510 /nfs/dbraw/zinc/95/65/10/524956510.db2.gz QOQBIRLXQDBKJY-CLLJXQQHSA-N 1 0 324.377 2.216 10 5 DEBERO C[NH+](C)C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000036192093 635880900 /nfs/dbraw/zinc/88/09/00/635880900.db2.gz BQDLEGNLNKXOGE-UHFFFAOYSA-N 1 0 311.769 2.414 10 5 DEBERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000237010629 636242919 /nfs/dbraw/zinc/24/29/19/636242919.db2.gz FXXMMFLITBGJDB-YMTOWFKASA-N 1 0 317.349 2.297 10 5 DEBERO C/C(=C/C(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752041155 639149235 /nfs/dbraw/zinc/14/92/35/639149235.db2.gz MIDBOGDAAIBGHX-HCYCVZQXSA-N 1 0 303.362 2.209 10 5 DEBERO C[C@H](CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[S@](C)=O ZINC000129489228 684179999 /nfs/dbraw/zinc/17/99/99/684179999.db2.gz RQBRBQYLRXTSFB-AYLIAGHASA-N 1 0 304.799 2.495 10 5 DEBERO CC(C)(C)OC(=O)c1cccc(C[N+]23CCN(CC2)CC3)c1 ZINC000193166223 717157564 /nfs/dbraw/zinc/15/75/64/717157564.db2.gz NUZSATXRWXNKHE-UHFFFAOYSA-N 1 0 303.426 2.288 10 5 DEBERO C[N@@H+]1CC[C@@H]1CNc1cc(Br)ccc1[N+](=O)[O-] ZINC000712527902 792199979 /nfs/dbraw/zinc/19/99/79/792199979.db2.gz IPYQWOSHIQOLIO-SECBINFHSA-N 1 0 300.156 2.473 10 5 DEBERO CCC[NH2+][C@H](C)[C@H](C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081961525 192345910 /nfs/dbraw/zinc/34/59/10/192345910.db2.gz TZJRJBINJFUQIO-MNOVXSKESA-N 1 0 300.380 2.145 10 5 DEBERO CC(C)[C@H](C[NH3+])Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000087405924 185224159 /nfs/dbraw/zinc/22/41/59/185224159.db2.gz LIBIELNYKLYFOQ-QMMMGPOBSA-N 1 0 303.160 2.148 10 5 DEBERO CCCN(CC[NH+](C)C)C(=O)c1ccnc(Cl)c1[N+](=O)[O-] ZINC000088806034 185266197 /nfs/dbraw/zinc/26/61/97/185266197.db2.gz NJHROTGWVSRADA-UHFFFAOYSA-N 1 0 314.773 2.057 10 5 DEBERO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc([N+](=O)[O-])c1 ZINC000181528096 199311548 /nfs/dbraw/zinc/31/15/48/199311548.db2.gz ZHJMYJCSKBUXKB-ZDUSSCGKSA-N 1 0 319.321 2.440 10 5 DEBERO CCCS(=O)(=O)CC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181562185 199317537 /nfs/dbraw/zinc/31/75/37/199317537.db2.gz NPPICKDWXQMZPL-CQSZACIVSA-N 1 0 314.407 2.460 10 5 DEBERO C[C@@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000070176022 190868230 /nfs/dbraw/zinc/86/82/30/190868230.db2.gz LRVDQQDUTKPBLJ-BXKDBHETSA-N 1 0 311.769 2.448 10 5 DEBERO CC[C@H]1Oc2ccc([N+](=O)[O-])cc2N(CCC[NH+](C)C)C1=O ZINC000071505360 190985948 /nfs/dbraw/zinc/98/59/48/190985948.db2.gz OILDBBLRHSCOLX-CYBMUJFWSA-N 1 0 307.350 2.051 10 5 DEBERO C[C@H]1C[C@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000173216050 198197175 /nfs/dbraw/zinc/19/71/75/198197175.db2.gz KDRAGWUTIBYYMK-GXTWGEPZSA-N 1 0 305.378 2.078 10 5 DEBERO CC[NH2+]CCCNc1c(Br)cncc1[N+](=O)[O-] ZINC000233510890 356286581 /nfs/dbraw/zinc/28/65/81/356286581.db2.gz PUNYTIHMZFXQES-UHFFFAOYSA-N 1 0 303.160 2.164 10 5 DEBERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000236980174 202107224 /nfs/dbraw/zinc/10/72/24/202107224.db2.gz FXXMMFLITBGJDB-OTYXRUKQSA-N 1 0 317.349 2.297 10 5 DEBERO CCn1nncc1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000459368259 283299818 /nfs/dbraw/zinc/29/98/18/283299818.db2.gz GGZQQLJCZQPJDA-UHFFFAOYSA-N 1 0 301.350 2.371 10 5 DEBERO C[C@H]1CC[C@@](CO)([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000187939874 200179609 /nfs/dbraw/zinc/17/96/09/200179609.db2.gz IAPMALIKWOIWSF-XJKSGUPXSA-N 1 0 308.378 2.457 10 5 DEBERO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000092133662 193166617 /nfs/dbraw/zinc/16/66/17/193166617.db2.gz GWYMDZKLYPMJAN-SSDOTTSWSA-N 1 0 316.155 2.151 10 5 DEBERO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCOC2)ccc1Br ZINC000037738775 182921820 /nfs/dbraw/zinc/92/18/20/182921820.db2.gz VYQHWJHSGNYVCZ-SNVBAGLBSA-N 1 0 315.167 2.483 10 5 DEBERO CC(C)[NH+]1CCC(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000038582369 183003716 /nfs/dbraw/zinc/00/37/16/183003716.db2.gz PBDBLYNRCHENFT-UHFFFAOYSA-N 1 0 319.405 2.374 10 5 DEBERO CC(C)[NH2+][C@@](C)(CCSc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000045549373 183515013 /nfs/dbraw/zinc/51/50/13/183515013.db2.gz YYEKRZNITMQJDL-AWEZNQCLSA-N 1 0 311.407 2.319 10 5 DEBERO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1 ZINC000109820406 194289234 /nfs/dbraw/zinc/28/92/34/194289234.db2.gz HTLDZWTULSTCQH-KRWDZBQOSA-N 1 0 319.405 2.282 10 5 DEBERO CC[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000061292468 184167597 /nfs/dbraw/zinc/16/75/97/184167597.db2.gz HJQZFQGEBABMDK-UHFFFAOYSA-N 1 0 316.155 2.295 10 5 DEBERO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000270307431 208381669 /nfs/dbraw/zinc/38/16/69/208381669.db2.gz RQRCHRDLCLSFGW-STQMWFEESA-N 1 0 301.350 2.186 10 5 DEBERO Cc1cc([N+](=O)[O-])c(Cl)cc1NCCN1CC[NH+](C)CC1 ZINC000157677739 197206377 /nfs/dbraw/zinc/20/63/77/197206377.db2.gz LSNIDVTZCARZKZ-UHFFFAOYSA-N 1 0 312.801 2.216 10 5 DEBERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000155355232 197046807 /nfs/dbraw/zinc/04/68/07/197046807.db2.gz DWFRTILMJHUSNG-BETUJISGSA-N 1 0 305.378 2.078 10 5 DEBERO COc1ccc(NC(=O)N(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000542727996 285245926 /nfs/dbraw/zinc/24/59/26/285245926.db2.gz WWPCEJXZXNSKHR-UHFFFAOYSA-N 1 0 310.354 2.019 10 5 DEBERO [NH3+]CC1(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000122003603 195389519 /nfs/dbraw/zinc/38/95/19/195389519.db2.gz SOBXNUTZXPBLES-UHFFFAOYSA-N 1 0 314.139 2.035 10 5 DEBERO Cc1cc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc([N+](=O)[O-])c1 ZINC000188728316 145016418 /nfs/dbraw/zinc/01/64/18/145016418.db2.gz NOBPVEHWRYXQFP-UHFFFAOYSA-N 1 0 311.341 2.436 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000190746951 145047869 /nfs/dbraw/zinc/04/78/69/145047869.db2.gz BAVPLRCEQHDZKK-LBPRGKRZSA-N 1 0 303.362 2.260 10 5 DEBERO CCc1ccc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1[N+](=O)[O-] ZINC000261716601 145219811 /nfs/dbraw/zinc/21/98/11/145219811.db2.gz CCXQZHPXGVTGGM-CQSZACIVSA-N 1 0 305.378 2.357 10 5 DEBERO CCOCC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C)C[C@H]1CC ZINC000116871430 401862508 /nfs/dbraw/zinc/86/25/08/401862508.db2.gz RTXVAQKNGBEZHW-CQSZACIVSA-N 1 0 322.409 2.235 10 5 DEBERO CC(C)NC(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135219054 401930546 /nfs/dbraw/zinc/93/05/46/401930546.db2.gz FGKGRBGPHOBVRU-UHFFFAOYSA-N 1 0 305.378 2.474 10 5 DEBERO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000037989900 401919568 /nfs/dbraw/zinc/91/95/68/401919568.db2.gz KFNDYHGIJRQCKQ-NSHDSACASA-N 1 0 309.753 2.168 10 5 DEBERO Cc1c([C@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000151294206 402028093 /nfs/dbraw/zinc/02/80/93/402028093.db2.gz ZBYWUUPYJKXVIN-LSDHHAIUSA-N 1 0 321.421 2.401 10 5 DEBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(N2CCNC2=O)CC1 ZINC000053283343 402054227 /nfs/dbraw/zinc/05/42/27/402054227.db2.gz CDLKWVSFURIFGH-LBPRGKRZSA-N 1 0 318.377 2.145 10 5 DEBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054794919 402071793 /nfs/dbraw/zinc/07/17/93/402071793.db2.gz REJRMTQIYHTIAJ-NSHDSACASA-N 1 0 309.341 2.338 10 5 DEBERO C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000124830043 402199399 /nfs/dbraw/zinc/19/93/99/402199399.db2.gz ATXSCKTXQPEZSZ-WFASDCNBSA-N 1 0 305.378 2.078 10 5 DEBERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070197254 402258944 /nfs/dbraw/zinc/25/89/44/402258944.db2.gz COCHHCCAKACEKU-SNVBAGLBSA-N 1 0 311.769 2.462 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000177012929 402359347 /nfs/dbraw/zinc/35/93/47/402359347.db2.gz WHBCSKTUFZAKAW-CQSZACIVSA-N 1 0 305.378 2.460 10 5 DEBERO O=C(/C=C/c1ccccc1[N+](=O)[O-])N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186507207 402437308 /nfs/dbraw/zinc/43/73/08/402437308.db2.gz AYDFDZALDSMWOA-RNVIBTMRSA-N 1 0 315.373 2.351 10 5 DEBERO CC[C@H]([NH3+])CNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000165822417 402478857 /nfs/dbraw/zinc/47/88/57/402478857.db2.gz NGYPYHBVNHRUTB-ZETCQYMHSA-N 1 0 303.160 2.210 10 5 DEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000247133943 402558092 /nfs/dbraw/zinc/55/80/92/402558092.db2.gz JMFCQFPUVPWBGQ-JQWIXIFHSA-N 1 0 307.325 2.043 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000247133967 402558120 /nfs/dbraw/zinc/55/81/20/402558120.db2.gz JMFCQFPUVPWBGQ-PWSUYJOCSA-N 1 0 307.325 2.043 10 5 DEBERO Cc1c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247485366 402568771 /nfs/dbraw/zinc/56/87/71/402568771.db2.gz TVCWYCDWIFAZKU-YPMHNXCESA-N 1 0 303.362 2.212 10 5 DEBERO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000171705834 402612560 /nfs/dbraw/zinc/61/25/60/402612560.db2.gz NQTXPEDJNNDMPF-OAHLLOKOSA-N 1 0 301.350 2.066 10 5 DEBERO CC[C@@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000252353346 402653020 /nfs/dbraw/zinc/65/30/20/402653020.db2.gz WUOBVLSETJGSAG-IIAWOOMASA-N 1 0 321.421 2.433 10 5 DEBERO Cc1c(NC(=O)CC[NH2+][C@H](C)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000183114252 402740255 /nfs/dbraw/zinc/74/02/55/402740255.db2.gz YVPPPMQAUPYVTP-DOMZBBRYSA-N 1 0 321.377 2.389 10 5 DEBERO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000183128380 402741731 /nfs/dbraw/zinc/74/17/31/402741731.db2.gz TYAVHASAJSXSBH-RISCZKNCSA-N 1 0 307.350 2.081 10 5 DEBERO COc1ccc(OCC[N@@H+]2CCOCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000378506101 404985400 /nfs/dbraw/zinc/98/54/00/404985400.db2.gz QULNNUGHTLEFJP-GFCCVEGCSA-N 1 0 310.350 2.093 10 5 DEBERO CCc1cc(I)c([N+](=O)[O-])cc1C[NH3+] ZINC000575724902 406824707 /nfs/dbraw/zinc/82/47/07/406824707.db2.gz GDQFRABKWBDRAR-UHFFFAOYSA-N 1 0 306.103 2.221 10 5 DEBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3ncnn3C1)CCC2 ZINC000192983411 275038588 /nfs/dbraw/zinc/03/85/88/275038588.db2.gz JBLKRPSCPMPRHD-SWLSCSKDSA-N 1 0 313.361 2.168 10 5 DEBERO CC[N@@H+]1CC[C@H]2OCCN(c3cc(C)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000292632807 276236417 /nfs/dbraw/zinc/23/64/17/276236417.db2.gz AFQWZYYTDMNGBP-JKSUJKDBSA-N 1 0 305.378 2.203 10 5 DEBERO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000106365989 279844551 /nfs/dbraw/zinc/84/45/51/279844551.db2.gz NRWHTDKLYLPCDA-JTQLQIEISA-N 1 0 311.769 2.368 10 5 DEBERO C/C(=C/C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000751501987 639088109 /nfs/dbraw/zinc/08/81/09/639088109.db2.gz KXJQCCXOMRWGSE-HCYCVZQXSA-N 1 0 315.373 2.351 10 5 DEBERO C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000044538504 683904381 /nfs/dbraw/zinc/90/43/81/683904381.db2.gz IFAKVUDKAPAZKE-SNVBAGLBSA-N 1 0 311.769 2.320 10 5 DEBERO COc1ccccc1C[C@@H]1CCCN1Cn1nccc1[N+](=O)[O-] ZINC000120278450 684094193 /nfs/dbraw/zinc/09/41/93/684094193.db2.gz SSRKAQSAOVQVLX-AWEZNQCLSA-N 1 0 316.361 2.465 10 5 DEBERO COC(=O)/C=C/c1ccc(SCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000126008501 684150094 /nfs/dbraw/zinc/15/00/94/684150094.db2.gz UOKZPDKMDHIFIZ-FNORWQNLSA-N 1 0 310.375 2.435 10 5 DEBERO C[C@H](CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[S@@](C)=O ZINC000129392702 684179160 /nfs/dbraw/zinc/17/91/60/684179160.db2.gz PGKHBBNYBVZURR-HOGDKLEQSA-N 1 0 304.799 2.495 10 5 DEBERO C[N+](C)(C)C[C@H](O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000112999855 717149250 /nfs/dbraw/zinc/14/92/50/717149250.db2.gz DLFGTURTUYBHKE-KRWDZBQOSA-N 1 0 314.405 2.364 10 5 DEBERO C[C@@H]1[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719622556 1089331019 /nfs/dbraw/zinc/33/10/19/1089331019.db2.gz GQJOAUIXFJVMPC-APPZFPTMSA-N 1 0 315.171 2.257 10 5 DEBERO CCC[C@@H]([NH3+])[C@@H](CC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942863 192344510 /nfs/dbraw/zinc/34/45/10/192344510.db2.gz BNKJMXOEKJVZRP-ZYHUDNBSSA-N 1 0 300.380 2.275 10 5 DEBERO CCC[NH2+][C@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000081942359 192344533 /nfs/dbraw/zinc/34/45/33/192344533.db2.gz MXLBSCYIZOWZHF-CQSZACIVSA-N 1 0 312.391 2.147 10 5 DEBERO [NH3+][C@@H]1CCCCCC[C@@H]1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081961672 192345554 /nfs/dbraw/zinc/34/55/54/192345554.db2.gz MGOMAGCEQZVSKO-YPMHNXCESA-N 1 0 312.391 2.419 10 5 DEBERO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000088060456 185238138 /nfs/dbraw/zinc/23/81/38/185238138.db2.gz DTLWASGKCVZWHG-VIFPVBQESA-N 1 0 314.183 2.151 10 5 DEBERO C[NH2+][C@H]1CCCCC[C@H]1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000083984783 192394035 /nfs/dbraw/zinc/39/40/35/192394035.db2.gz BTOPEYQEWSBXNL-WCQYABFASA-N 1 0 312.391 2.289 10 5 DEBERO O=[N+]([O-])c1cc(Cl)c(OC[C@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000080745236 192187668 /nfs/dbraw/zinc/18/76/68/192187668.db2.gz AQKQMQOIWKAYDJ-MRVPVSSYSA-N 1 0 307.133 2.269 10 5 DEBERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000600963675 359873714 /nfs/dbraw/zinc/87/37/14/359873714.db2.gz YIKQHOWGCMSESZ-IONNQARKSA-N 1 0 300.156 2.283 10 5 DEBERO CC(C)c1ccc(CN2CC[NH+](C[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000188720548 200294915 /nfs/dbraw/zinc/29/49/15/200294915.db2.gz DJFVLNXFPCHLAV-CQSZACIVSA-N 1 0 321.421 2.217 10 5 DEBERO O=[N+]([O-])c1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000193811879 201127732 /nfs/dbraw/zinc/12/77/32/201127732.db2.gz OOTKAPAZXMMYKW-CQSZACIVSA-N 1 0 320.349 2.173 10 5 DEBERO O=[N+]([O-])c1cnccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000610946708 361496308 /nfs/dbraw/zinc/49/63/08/361496308.db2.gz SFANOWBNUSZOGY-JSGCOSHPSA-N 1 0 302.378 2.443 10 5 DEBERO O=[N+]([O-])c1cnccc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000610946709 361496316 /nfs/dbraw/zinc/49/63/16/361496316.db2.gz SFANOWBNUSZOGY-OCCSQVGLSA-N 1 0 302.378 2.443 10 5 DEBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn(C)nn1 ZINC000611973477 361715966 /nfs/dbraw/zinc/71/59/66/361715966.db2.gz HWMZODWRRQLFPW-NSHDSACASA-N 1 0 321.406 2.384 10 5 DEBERO C[NH2+][C@]1(C(N)=O)CCC[C@@H](Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000093776238 193304708 /nfs/dbraw/zinc/30/47/08/193304708.db2.gz WSTMMVDSJCJIAK-TZMCWYRMSA-N 1 0 309.391 2.073 10 5 DEBERO C[NH2+][C@@]1(C(N)=O)CCC[C@H](Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000093776237 193305294 /nfs/dbraw/zinc/30/52/94/193305294.db2.gz WSTMMVDSJCJIAK-JSGCOSHPSA-N 1 0 309.391 2.073 10 5 DEBERO CC(C)[NH+]1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000023013865 182345043 /nfs/dbraw/zinc/34/50/43/182345043.db2.gz KXZZOTCPRHISLI-UHFFFAOYSA-N 1 0 305.378 2.445 10 5 DEBERO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000467356076 248700712 /nfs/dbraw/zinc/70/07/12/248700712.db2.gz UAQJMRYWKFTLGB-SRVKXCTJSA-N 1 0 309.366 2.325 10 5 DEBERO CCN(CC)c1ncnc(NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000040607977 183107826 /nfs/dbraw/zinc/10/78/26/183107826.db2.gz RCLTVVAUCINBGS-UHFFFAOYSA-N 1 0 322.413 2.129 10 5 DEBERO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000105798430 194130436 /nfs/dbraw/zinc/13/04/36/194130436.db2.gz NGTGVBZLCMEPIK-UHFFFAOYSA-N 1 0 313.361 2.097 10 5 DEBERO C[C@@H]([NH3+])CCC(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159442718 197354569 /nfs/dbraw/zinc/35/45/69/197354569.db2.gz JNAONSHUKSMABG-SSDOTTSWSA-N 1 0 316.155 2.423 10 5 DEBERO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105883280 194155209 /nfs/dbraw/zinc/15/52/09/194155209.db2.gz ZDGBMSVCYZMWIF-ZDUSSCGKSA-N 1 0 301.350 2.099 10 5 DEBERO [NH3+]C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000050249992 183779775 /nfs/dbraw/zinc/77/97/75/183779775.db2.gz XEJONPVFYSMLGN-QMMMGPOBSA-N 1 0 300.156 2.142 10 5 DEBERO C[NH2+]C[C@@H]1CCCCN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010324 194381924 /nfs/dbraw/zinc/38/19/24/194381924.db2.gz MLAOSOGZABGGEL-JTQLQIEISA-N 1 0 311.769 2.462 10 5 DEBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1OC1C[NH2+]C1 ZINC000062810057 184253485 /nfs/dbraw/zinc/25/34/85/184253485.db2.gz OAYNLBOUIUFGJN-UHFFFAOYSA-N 1 0 324.134 2.256 10 5 DEBERO O=[N+]([O-])c1ccc(CC[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000156553445 197122969 /nfs/dbraw/zinc/12/29/69/197122969.db2.gz CDIYWTRTDOTYLS-UHFFFAOYSA-N 1 0 301.350 2.066 10 5 DEBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000155517237 197063070 /nfs/dbraw/zinc/06/30/70/197063070.db2.gz GTYIKTYDERBNJT-YGRLFVJLSA-N 1 0 309.341 2.192 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000262325027 291995781 /nfs/dbraw/zinc/99/57/81/291995781.db2.gz RPHHMMOJOXGYEK-CQDKDKBSSA-N 1 0 303.362 2.103 10 5 DEBERO Cc1cc(F)cc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1[N+](=O)[O-] ZINC000261851743 145233978 /nfs/dbraw/zinc/23/39/78/145233978.db2.gz MMKNUAFRLYYCPF-LBPRGKRZSA-N 1 0 309.341 2.242 10 5 DEBERO [NH3+]C[C@H](Nc1ccc([N+](=O)[O-])c2nonc21)C1CCCCC1 ZINC000262305762 145275073 /nfs/dbraw/zinc/27/50/73/145275073.db2.gz PDWMGHXINOYXBE-NSHDSACASA-N 1 0 305.338 2.451 10 5 DEBERO Cc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000113230853 401771460 /nfs/dbraw/zinc/77/14/60/401771460.db2.gz QZENDEWUIIYQLM-GXTWGEPZSA-N 1 0 303.362 2.212 10 5 DEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000113367157 401777499 /nfs/dbraw/zinc/77/74/99/401777499.db2.gz GLDCXNXZWKMAPS-SMDDNHRTSA-N 1 0 304.350 2.295 10 5 DEBERO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000076300012 401789710 /nfs/dbraw/zinc/78/97/10/401789710.db2.gz CTYBOZMGFWXUBZ-AWEZNQCLSA-N 1 0 307.350 2.034 10 5 DEBERO CC(C)[C@H]([NH2+]C[C@@H](C)O)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000035744583 401900509 /nfs/dbraw/zinc/90/05/09/401900509.db2.gz IIUZPQBNCHEYPJ-MFKMUULPSA-N 1 0 320.349 2.312 10 5 DEBERO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1CCCC[NH2+]1 ZINC000044493567 401944232 /nfs/dbraw/zinc/94/42/32/401944232.db2.gz LHTUWMZNKKSSNQ-VIFPVBQESA-N 1 0 315.171 2.306 10 5 DEBERO O=[N+]([O-])c1ccc2nc(OCC[C@@H]3CCCC[NH2+]3)cnc2c1 ZINC000095092008 402025912 /nfs/dbraw/zinc/02/59/12/402025912.db2.gz JWHABWUVAYCQJH-NSHDSACASA-N 1 0 302.334 2.449 10 5 DEBERO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000151324816 402030292 /nfs/dbraw/zinc/03/02/92/402030292.db2.gz RSIJEJISTBNEPW-CJNGLKHVSA-N 1 0 307.394 2.092 10 5 DEBERO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000124051850 402161186 /nfs/dbraw/zinc/16/11/86/402161186.db2.gz RZMLCRVSQSGBBN-WCQYABFASA-N 1 0 321.377 2.158 10 5 DEBERO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237891656 402425344 /nfs/dbraw/zinc/42/53/44/402425344.db2.gz FSVHJAXXRFFPBQ-ILXRZTDVSA-N 1 0 317.389 2.174 10 5 DEBERO O=[N+]([O-])c1ccccc1OCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177757115 402432841 /nfs/dbraw/zinc/43/28/41/402432841.db2.gz QPUIMWIGYGPENY-CQSZACIVSA-N 1 0 305.378 2.144 10 5 DEBERO Cc1c(Br)c(NC2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC000165810200 402479018 /nfs/dbraw/zinc/47/90/18/402479018.db2.gz ZQBMFTHSVBAVEQ-UHFFFAOYSA-N 1 0 315.171 2.225 10 5 DEBERO C[C@@H]1CC[C@](CO)([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000187939901 402513631 /nfs/dbraw/zinc/51/36/31/402513631.db2.gz IAPMALIKWOIWSF-CJNGLKHVSA-N 1 0 308.378 2.457 10 5 DEBERO C[C@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[S@@](C)=O ZINC000168135298 402494332 /nfs/dbraw/zinc/49/43/32/402494332.db2.gz GVQQMJGWJKALBZ-HOGDKLEQSA-N 1 0 304.799 2.495 10 5 DEBERO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000172044347 402637820 /nfs/dbraw/zinc/63/78/20/402637820.db2.gz QWMWSEFILFWQJV-OCZCAGDBSA-N 1 0 306.362 2.066 10 5 DEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000173214604 402688211 /nfs/dbraw/zinc/68/82/11/402688211.db2.gz LIVRNYWKMMMLMQ-CZUORRHYSA-N 1 0 319.405 2.326 10 5 DEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000175021293 402771964 /nfs/dbraw/zinc/77/19/64/402771964.db2.gz YUEKGWPLTHANMZ-WCQYABFASA-N 1 0 321.352 2.433 10 5 DEBERO C[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)N1CCOC[C@H]1C ZINC000301282436 403610402 /nfs/dbraw/zinc/61/04/02/403610402.db2.gz OZADMFDDCRQMKY-NXEZZACHSA-N 1 0 314.773 2.164 10 5 DEBERO C[C@@H]1C[N@@H+](C2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)CCO1 ZINC000302789608 403726291 /nfs/dbraw/zinc/72/62/91/403726291.db2.gz FFSSKQIVXXKNKK-GFCCVEGCSA-N 1 0 323.368 2.423 10 5 DEBERO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000342433748 404574225 /nfs/dbraw/zinc/57/42/25/404574225.db2.gz UUBWEWUIVNHILH-BFHYXJOUSA-N 1 0 323.418 2.393 10 5 DEBERO CCOc1ccc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000525292161 406482064 /nfs/dbraw/zinc/48/20/64/406482064.db2.gz KMDQMVHEBUMXHV-GFCCVEGCSA-N 1 0 321.377 2.065 10 5 DEBERO O=[N+]([O-])c1c(F)cc(F)cc1NCCOC1CC[NH2+]CC1 ZINC000129365143 196042718 /nfs/dbraw/zinc/04/27/18/196042718.db2.gz KDAOCMVJZQWWOL-UHFFFAOYSA-N 1 0 301.293 2.054 10 5 DEBERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1csc([N+](=O)[O-])c1 ZINC000134498228 196396895 /nfs/dbraw/zinc/39/68/95/196396895.db2.gz XFUNYAQTQDLBOG-UHFFFAOYSA-N 1 0 303.343 2.190 10 5 DEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000193671626 267764123 /nfs/dbraw/zinc/76/41/23/267764123.db2.gz SSLGQKAKYNIVCW-UHFFFAOYSA-N 1 0 320.393 2.102 10 5 DEBERO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000301453201 274095954 /nfs/dbraw/zinc/09/59/54/274095954.db2.gz AUQMNVYNFCZIRH-LLVKDONJSA-N 1 0 307.325 2.193 10 5 DEBERO Cc1cc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cc([N+](=O)[O-])c1 ZINC000186501994 280320949 /nfs/dbraw/zinc/32/09/49/280320949.db2.gz MTYFBYGUMSJIIG-ZDUSSCGKSA-N 1 0 303.362 2.260 10 5 DEBERO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000194504404 281256736 /nfs/dbraw/zinc/25/67/36/281256736.db2.gz PTFNWWCQJUVYTA-UHFFFAOYSA-N 1 0 303.362 2.214 10 5 DEBERO CN(CCC[NH+](C)C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000582584500 337109928 /nfs/dbraw/zinc/10/99/28/337109928.db2.gz PGFWRPCZXPZAFE-UHFFFAOYSA-N 1 0 306.288 2.397 10 5 DEBERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000248603959 535534674 /nfs/dbraw/zinc/53/46/74/535534674.db2.gz VUUHBSOVYJDVKZ-VXGBXAGGSA-N 1 0 323.368 2.438 10 5 DEBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000052783573 625317184 /nfs/dbraw/zinc/31/71/84/625317184.db2.gz BFZGBVPOQQYYGS-MRVPVSSYSA-N 1 0 300.156 2.155 10 5 DEBERO C/C(=C/C(=O)NC[C@@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000750806760 639028705 /nfs/dbraw/zinc/02/87/05/639028705.db2.gz FYSDSVRMCKTMFP-SUIFULHWSA-N 1 0 303.362 2.066 10 5 DEBERO C/C(=C/C(=O)NCC[N@H+]1CC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752500246 639190902 /nfs/dbraw/zinc/19/09/02/639190902.db2.gz CGNZZECSHFCKKW-KECPUOCWSA-N 1 0 317.389 2.456 10 5 DEBERO CC[C@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000081902088 192336639 /nfs/dbraw/zinc/33/66/39/192336639.db2.gz CRXGHRKBSBDSTO-GWCFXTLKSA-N 1 0 300.380 2.069 10 5 DEBERO CCC[NH2+][C@@H](CC)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942207 192344295 /nfs/dbraw/zinc/34/42/95/192344295.db2.gz RHGKRZLDWKUIBI-NSHDSACASA-N 1 0 300.380 2.147 10 5 DEBERO C[NH2+]C[C@@H]1CCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000087834893 185232818 /nfs/dbraw/zinc/23/28/18/185232818.db2.gz ZVKICTHEKHQYMW-VIFPVBQESA-N 1 0 314.183 2.403 10 5 DEBERO Cc1c(Br)c(OCC[NH2+]C(C)C)ncc1[N+](=O)[O-] ZINC000165862356 197683760 /nfs/dbraw/zinc/68/37/60/197683760.db2.gz SKFHBIHOAOQREL-UHFFFAOYSA-N 1 0 318.171 2.438 10 5 DEBERO CCN(c1cc(F)c(Br)cc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000090292208 185289669 /nfs/dbraw/zinc/28/96/69/185289669.db2.gz AUPMYDDXBHDDSE-UHFFFAOYSA-N 1 0 318.146 2.295 10 5 DEBERO COc1ccc(OCC[NH2+][C@H](C)[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000183124258 199541902 /nfs/dbraw/zinc/54/19/02/199541902.db2.gz OYKRQYVDAMUKDF-RISCZKNCSA-N 1 0 310.350 2.139 10 5 DEBERO O=[N+]([O-])c1cnn(CCN2CCCC[C@H]2c2nccs2)c1 ZINC000174838540 198391546 /nfs/dbraw/zinc/39/15/46/198391546.db2.gz AXXACYBKFGYTPR-LBPRGKRZSA-N 1 0 307.379 2.475 10 5 DEBERO [NH3+]C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CC[C@H]1C(F)(F)F ZINC000600952610 359870371 /nfs/dbraw/zinc/87/03/71/359870371.db2.gz QEIZOWAZQRRAFN-RNFRBKRXSA-N 1 0 310.301 2.015 10 5 DEBERO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1(CCO)CCOCC1 ZINC000610771635 361463857 /nfs/dbraw/zinc/46/38/57/361463857.db2.gz KTAYXQHHCIMACF-HYXAFXHYSA-N 1 0 306.362 2.129 10 5 DEBERO C[C@@H]1C[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000194001448 201160835 /nfs/dbraw/zinc/16/08/35/201160835.db2.gz HOKPTKQYZBUSTC-DGCLKSJQSA-N 1 0 322.365 2.418 10 5 DEBERO O=[N+]([O-])c1cnc(NCC2CC[NH2+]CC2)c(Br)c1 ZINC000093434279 193250368 /nfs/dbraw/zinc/25/03/68/193250368.db2.gz OJOBUNATGUNRAK-UHFFFAOYSA-N 1 0 315.171 2.164 10 5 DEBERO C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000093523175 193262883 /nfs/dbraw/zinc/26/28/83/193262883.db2.gz UTLSFHWBQSVFFP-SNVBAGLBSA-N 1 0 300.380 2.069 10 5 DEBERO CCC[NH2+]Cc1ncnn1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093634078 193277112 /nfs/dbraw/zinc/27/71/12/193277112.db2.gz DGRZFCPWNIWZMX-UHFFFAOYSA-N 1 0 309.757 2.388 10 5 DEBERO CC[NH2+][C@@]1(C(N)=O)CC[C@H](Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000093848666 193317554 /nfs/dbraw/zinc/31/75/54/193317554.db2.gz QHZLJLHEVVKOCP-JSGCOSHPSA-N 1 0 309.391 2.073 10 5 DEBERO CCC(CC)(C[NH3+])NC(=O)c1c(F)ccc([N+](=O)[O-])c1F ZINC000094190896 193348701 /nfs/dbraw/zinc/34/87/01/193348701.db2.gz MREOAWWDPVWFPZ-UHFFFAOYSA-N 1 0 301.293 2.120 10 5 DEBERO CC(C)[NH+]1CCC(CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000023013975 182345102 /nfs/dbraw/zinc/34/51/02/182345102.db2.gz RNMPHDVGUYWBLE-UHFFFAOYSA-N 1 0 305.378 2.445 10 5 DEBERO CC[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000125713250 195777847 /nfs/dbraw/zinc/77/78/47/195777847.db2.gz AHXFKDSQKHZMMA-JKSUJKDBSA-N 1 0 308.378 2.425 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000262325029 291995809 /nfs/dbraw/zinc/99/58/09/291995809.db2.gz RPHHMMOJOXGYEK-GLQYFDAESA-N 1 0 303.362 2.103 10 5 DEBERO CC1=CC[N@H+](CCNC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000358161217 133125102 /nfs/dbraw/zinc/12/51/02/133125102.db2.gz DWCJARTUFZZZOT-UHFFFAOYSA-N 1 0 318.377 2.046 10 5 DEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000297168194 404481543 /nfs/dbraw/zinc/48/15/43/404481543.db2.gz PHQVIJMBDWJSAM-CMPLNLGQSA-N 1 0 301.350 2.144 10 5 DEBERO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000190743766 145047249 /nfs/dbraw/zinc/04/72/49/145047249.db2.gz KAXKUYWBSQJOJR-SEIPJRMCSA-N 1 0 315.373 2.351 10 5 DEBERO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000359130537 147267527 /nfs/dbraw/zinc/26/75/27/147267527.db2.gz NERUGPOJQKMICT-INIZCTEOSA-N 1 0 319.405 2.470 10 5 DEBERO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)(C)C ZINC000114474522 401801297 /nfs/dbraw/zinc/80/12/97/401801297.db2.gz HGUBOIHSEFDTAB-SECBINFHSA-N 1 0 323.349 2.286 10 5 DEBERO CCOC(=O)c1ccnc(NC[C@@H](C)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000133351393 401882741 /nfs/dbraw/zinc/88/27/41/401882741.db2.gz QRLITNCWRXJSNT-LLVKDONJSA-N 1 0 324.381 2.309 10 5 DEBERO C[NH+](C)C[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000153844008 402174092 /nfs/dbraw/zinc/17/40/92/402174092.db2.gz FXZCPSRBXLKFRG-LBPRGKRZSA-N 1 0 313.785 2.011 10 5 DEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000154788456 402231842 /nfs/dbraw/zinc/23/18/42/402231842.db2.gz LJIGKHSDZYOGLY-XJKSGUPXSA-N 1 0 317.389 2.223 10 5 DEBERO C[N+]1(C)CC[C@@H](OC(=O)C(O)(C2CCCC2)C2CCCC2)C1 ZINC000071789509 402277272 /nfs/dbraw/zinc/27/72/72/402277272.db2.gz GLFQFKPAFVHRMF-MRXNPFEDSA-N 1 0 310.458 2.490 10 5 DEBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000185820601 402380215 /nfs/dbraw/zinc/38/02/15/402380215.db2.gz BVGIRBQVTFXTRF-HBIYDYFMSA-N 1 0 303.362 2.161 10 5 DEBERO CC[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176702199 402329468 /nfs/dbraw/zinc/32/94/68/402329468.db2.gz JTMRHPRVGDOXCQ-CABCVRRESA-N 1 0 320.393 2.391 10 5 DEBERO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000251689643 402649524 /nfs/dbraw/zinc/64/95/24/402649524.db2.gz JJOMLYWIHKUOQQ-SWLSCSKDSA-N 1 0 321.377 2.280 10 5 DEBERO CC[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000181552511 402649792 /nfs/dbraw/zinc/64/97/92/402649792.db2.gz RDEKZOAYQIAVIU-FZMZJTMJSA-N 1 0 314.407 2.316 10 5 DEBERO Cc1c(CN2CC[NH2+]C[C@@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000261708852 402715881 /nfs/dbraw/zinc/71/58/81/402715881.db2.gz KFDNDGGNHLERCH-QGZVFWFLSA-N 1 0 312.373 2.445 10 5 DEBERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000183179598 402745122 /nfs/dbraw/zinc/74/51/22/402745122.db2.gz DHKKYEKYNSVKOL-SUNKGSAMSA-N 1 0 307.350 2.079 10 5 DEBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000194829427 402817709 /nfs/dbraw/zinc/81/77/09/402817709.db2.gz SMSXGJSNWWMWOD-YRGRVCCFSA-N 1 0 307.306 2.160 10 5 DEBERO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195313953 402841329 /nfs/dbraw/zinc/84/13/29/402841329.db2.gz UWXMPEZGFKTOOT-LLVKDONJSA-N 1 0 309.753 2.168 10 5 DEBERO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000571619395 406542950 /nfs/dbraw/zinc/54/29/50/406542950.db2.gz QDPFCIFTFCQCDY-STQMWFEESA-N 1 0 305.378 2.156 10 5 DEBERO COc1c([N+](=O)[O-])ccc2c1CC[C@@H]([NH+]1CCOCC1)CC2 ZINC000095835403 277792213 /nfs/dbraw/zinc/79/22/13/277792213.db2.gz WLKBQHVXCUQUTL-ZDUSSCGKSA-N 1 0 306.362 2.183 10 5 DEBERO Cc1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000247306717 524133705 /nfs/dbraw/zinc/13/37/05/524133705.db2.gz LSEFRWHJIJFMBM-TZMCWYRMSA-N 1 0 305.378 2.362 10 5 DEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247312404 525455576 /nfs/dbraw/zinc/45/55/76/525455576.db2.gz LZZYUIFBWKROIC-SMDDNHRTSA-N 1 0 321.377 2.062 10 5 DEBERO O=[N+]([O-])c1c(F)cccc1N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000301715561 534878966 /nfs/dbraw/zinc/87/89/66/534878966.db2.gz JUEGCLVMKXQRSM-STQMWFEESA-N 1 0 323.368 2.159 10 5 DEBERO COc1cccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000193253445 537087939 /nfs/dbraw/zinc/08/79/39/537087939.db2.gz NKTWWDHGIFCAKN-GFCCVEGCSA-N 1 0 323.393 2.310 10 5 DEBERO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@H]3CCCO3)CC2)cn1 ZINC000735486406 633512140 /nfs/dbraw/zinc/51/21/40/633512140.db2.gz BMUJXIORUNPNCS-CQSZACIVSA-N 1 0 306.366 2.045 10 5 DEBERO C[C@@H]1[C@H]([NH3+])CCN1c1cc(Br)ccc1[N+](=O)[O-] ZINC000261548565 635892455 /nfs/dbraw/zinc/89/24/55/635892455.db2.gz JQWLHJZRGQDZDV-VXNVDRBHSA-N 1 0 300.156 2.283 10 5 DEBERO C/C(=C\C(=O)N1CC[NH2+]C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752499470 639190703 /nfs/dbraw/zinc/19/07/03/639190703.db2.gz AEHUTGPCHNNJSN-ZRDIBKRKSA-N 1 0 303.362 2.209 10 5 DEBERO Cc1cnn([C@@H]2CCCN(Cn3nc(C)c([N+](=O)[O-])c3C)C2)c1 ZINC000152959820 646920282 /nfs/dbraw/zinc/92/02/82/646920282.db2.gz NFJWOKQKOMKJRA-CQSZACIVSA-N 1 0 318.381 2.208 10 5 DEBERO CC1(C)C[NH2+]C[C@H]1Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000721900854 781593813 /nfs/dbraw/zinc/59/38/13/781593813.db2.gz UVJJDIKXXGMLII-SECBINFHSA-N 1 0 315.171 2.162 10 5 DEBERO CC1(OCc2ccc(Br)cc2[N+](=O)[O-])C[NH2+]C1 ZINC000162296249 197557927 /nfs/dbraw/zinc/55/79/27/197557927.db2.gz FUDLBUYMYNWYDX-UHFFFAOYSA-N 1 0 301.140 2.236 10 5 DEBERO CCC[NH2+][C@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000081942985 192344222 /nfs/dbraw/zinc/34/42/22/192344222.db2.gz XDMXXHSAYTVILJ-GFCCVEGCSA-N 1 0 312.391 2.147 10 5 DEBERO CCC[NH2+][C@H](C)[C@@H](C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942531 192344647 /nfs/dbraw/zinc/34/46/47/192344647.db2.gz NQGAHQLRIPBVHY-GHMZBOCLSA-N 1 0 300.380 2.145 10 5 DEBERO C[C@@H](CN1CCOCC1)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000111333846 185584252 /nfs/dbraw/zinc/58/42/52/185584252.db2.gz JZNYXMORGXHHFN-NSHDSACASA-N 1 0 313.785 2.059 10 5 DEBERO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000279668999 215046686 /nfs/dbraw/zinc/04/66/86/215046686.db2.gz HJHRUSRMSJODKN-AWEZNQCLSA-N 1 0 305.378 2.251 10 5 DEBERO CC[NH2+][C@@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000083984791 192393939 /nfs/dbraw/zinc/39/39/39/192393939.db2.gz FRGFLVTVWZLUHK-ZDUSSCGKSA-N 1 0 314.407 2.393 10 5 DEBERO C[C@H](C[NH+]1CCCC1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000155974847 186124990 /nfs/dbraw/zinc/12/49/90/186124990.db2.gz NCHPNVRTLNZLCD-SNVBAGLBSA-N 1 0 311.769 2.462 10 5 DEBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000159750402 186139368 /nfs/dbraw/zinc/13/93/68/186139368.db2.gz KXGDFIZGNHAUPL-LLVKDONJSA-N 1 0 309.391 2.245 10 5 DEBERO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000172039768 198029335 /nfs/dbraw/zinc/02/93/35/198029335.db2.gz MAPMDCSZDQQXOY-HBBFGDNQSA-N 1 0 306.362 2.196 10 5 DEBERO COc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c(OC)c1 ZINC000090538304 355563380 /nfs/dbraw/zinc/56/33/80/355563380.db2.gz UDIFYQLUODSPLH-NSHDSACASA-N 1 0 320.349 2.159 10 5 DEBERO CC[N@@H+]1CCC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000313978518 356415151 /nfs/dbraw/zinc/41/51/51/356415151.db2.gz MEIHERBSMWFFCR-SECBINFHSA-N 1 0 307.379 2.496 10 5 DEBERO Cc1c(Br)c(N[C@H](C)[C@@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000381419133 356671102 /nfs/dbraw/zinc/67/11/02/356671102.db2.gz ADOHNAZOAZNYRP-RNFRBKRXSA-N 1 0 303.160 2.208 10 5 DEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@]1(O)CCOC1 ZINC000593670214 358120284 /nfs/dbraw/zinc/12/02/84/358120284.db2.gz GIAFNHJQNPNZOU-OVHOFWQVSA-N 1 0 306.362 2.129 10 5 DEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000598991069 359377821 /nfs/dbraw/zinc/37/78/21/359377821.db2.gz UNKJSAAHRPVKNZ-HFWIMWPKSA-N 1 0 306.362 2.128 10 5 DEBERO C[NH2+]CCOCCNc1ccc([N+](=O)[O-])cc1Br ZINC000600951074 359869027 /nfs/dbraw/zinc/86/90/27/359869027.db2.gz GKGXTQOKIQQEGH-UHFFFAOYSA-N 1 0 318.171 2.005 10 5 DEBERO [NH3+]CCCOCCNc1ccc([N+](=O)[O-])cc1Br ZINC000600955257 359869952 /nfs/dbraw/zinc/86/99/52/359869952.db2.gz LEUCSMNGSDURKW-UHFFFAOYSA-N 1 0 318.171 2.135 10 5 DEBERO Cc1cc(NC(=O)c2csc(CC[NH3+])n2)ccc1[N+](=O)[O-] ZINC000090953079 192962954 /nfs/dbraw/zinc/96/29/54/192962954.db2.gz PKOIGIJLNXZTJT-UHFFFAOYSA-N 1 0 306.347 2.113 10 5 DEBERO [NH3+][C@H]1CC[C@@H](Oc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000093219085 193218603 /nfs/dbraw/zinc/21/86/03/193218603.db2.gz BWZLZTRZFMBPTB-JGVFFNPUSA-N 1 0 302.128 2.011 10 5 DEBERO O=[N+]([O-])c1cnc(OC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000093434571 193251425 /nfs/dbraw/zinc/25/14/25/193251425.db2.gz GCIDBEJBKVRJBS-QMMMGPOBSA-N 1 0 316.155 2.131 10 5 DEBERO CC[C@](C)([NH3+])C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094239207 193353884 /nfs/dbraw/zinc/35/38/84/193353884.db2.gz DWNQTOKDVUKECF-NSHDSACASA-N 1 0 316.155 2.423 10 5 DEBERO CC[NH2+]CCCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000040713460 183121988 /nfs/dbraw/zinc/12/19/88/183121988.db2.gz NDMQBUZNHWUVFF-UHFFFAOYSA-N 1 0 303.160 2.164 10 5 DEBERO CCC[NH2+][C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043301195 183352510 /nfs/dbraw/zinc/35/25/10/183352510.db2.gz BKMAIQVMUAVFBS-JSGCOSHPSA-N 1 0 312.391 2.070 10 5 DEBERO C[NH2+][C@@](C)(CCCCSc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000045549745 183514872 /nfs/dbraw/zinc/51/48/72/183514872.db2.gz SILLZUGDMUHFGL-AWEZNQCLSA-N 1 0 311.407 2.321 10 5 DEBERO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000109820402 194289460 /nfs/dbraw/zinc/28/94/60/194289460.db2.gz HTLDZWTULSTCQH-QGZVFWFLSA-N 1 0 319.405 2.282 10 5 DEBERO COC[C@H](C)[NH2+]Cc1cc(Br)ccc1[N+](=O)[O-] ZINC000121104487 195294134 /nfs/dbraw/zinc/29/41/34/195294134.db2.gz ATVWTXUBJNVGBJ-QMMMGPOBSA-N 1 0 303.156 2.482 10 5 DEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000247020738 145123409 /nfs/dbraw/zinc/12/34/09/145123409.db2.gz SLPHSJLSVVESTN-ZFWWWQNUSA-N 1 0 303.362 2.294 10 5 DEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247310407 145132668 /nfs/dbraw/zinc/13/26/68/145132668.db2.gz HLAJVAIKQZPGFJ-BBRMVZONSA-N 1 0 319.405 2.326 10 5 DEBERO CCOCC[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000247563407 145141241 /nfs/dbraw/zinc/14/12/41/145141241.db2.gz GIHNEJRQXUYHIB-GFCCVEGCSA-N 1 0 313.423 2.199 10 5 DEBERO Cc1ccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000261690142 145217234 /nfs/dbraw/zinc/21/72/34/145217234.db2.gz KPBRNRKCMHAQMQ-QGZVFWFLSA-N 1 0 312.373 2.445 10 5 DEBERO Cc1c(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cccc1[N+](=O)[O-] ZINC000261894039 145238191 /nfs/dbraw/zinc/23/81/91/145238191.db2.gz ODAKJWRMSBJAFA-SNPRPXQTSA-N 1 0 317.389 2.440 10 5 DEBERO C[C@@H](CCC[NH3+])Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000310403746 145352322 /nfs/dbraw/zinc/35/23/22/145352322.db2.gz HLQCYBXPCHLVRK-ZETCQYMHSA-N 1 0 303.160 2.292 10 5 DEBERO Cc1sc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000073993444 401726852 /nfs/dbraw/zinc/72/68/52/401726852.db2.gz RRNQCDFBDQAJGG-MNOVXSKESA-N 1 0 309.391 2.273 10 5 DEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000113267087 401773893 /nfs/dbraw/zinc/77/38/93/401773893.db2.gz VGVRVTHVPZLIGO-DZGCQCFKSA-N 1 0 305.378 2.142 10 5 DEBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000116314796 401849667 /nfs/dbraw/zinc/84/96/67/401849667.db2.gz XKDJSRVCUZBGBK-GFCCVEGCSA-N 1 0 316.361 2.326 10 5 DEBERO Cc1sc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000047146911 401979093 /nfs/dbraw/zinc/97/90/93/401979093.db2.gz QDNSANYFRGLCRA-JTQLQIEISA-N 1 0 311.407 2.426 10 5 DEBERO O=[N+]([O-])c1ccc2sc([S@@](=O)C[C@@H]3CCC[NH2+]3)nc2c1 ZINC000095092232 402025672 /nfs/dbraw/zinc/02/56/72/402025672.db2.gz LMYISZRPUDBFAD-FFVOIRBGSA-N 1 0 311.388 2.064 10 5 DEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000122310789 402071872 /nfs/dbraw/zinc/07/18/72/402071872.db2.gz CIRHNWKLAUBIBX-MNOVXSKESA-N 1 0 311.407 2.459 10 5 DEBERO C[C@H]1C[C@@H](N(C)C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000153031061 402123105 /nfs/dbraw/zinc/12/31/05/402123105.db2.gz XERHRVQSGCZCOJ-ZFWWWQNUSA-N 1 0 319.405 2.469 10 5 DEBERO C[C@H]1C[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])CCN1C ZINC000123356182 402123637 /nfs/dbraw/zinc/12/36/37/402123637.db2.gz MLCXINTVJOKMAM-UONOGXRCSA-N 1 0 307.394 2.388 10 5 DEBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000160428173 402345513 /nfs/dbraw/zinc/34/55/13/402345513.db2.gz ZCTPZKQAFNRPIV-OAHLLOKOSA-N 1 0 305.378 2.445 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000176974991 402355872 /nfs/dbraw/zinc/35/58/72/402355872.db2.gz OOLCCHZTQSZOGM-OAHLLOKOSA-N 1 0 305.378 2.080 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000177020048 402360390 /nfs/dbraw/zinc/36/03/90/402360390.db2.gz LBUOMOQONAGJJR-CYBMUJFWSA-N 1 0 305.378 2.460 10 5 DEBERO Cc1cc(N2C[C@H]([NH3+])[C@@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000235666654 402364011 /nfs/dbraw/zinc/36/40/11/402364011.db2.gz LJKHDLRTQVHNCZ-WPRPVWTQSA-N 1 0 314.183 2.449 10 5 DEBERO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245459639 402462826 /nfs/dbraw/zinc/46/28/26/402462826.db2.gz DQDQFQHZTRWWIR-HNNXBMFYSA-N 1 0 305.378 2.274 10 5 DEBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C(N)=O)co1 ZINC000187715396 402509326 /nfs/dbraw/zinc/50/93/26/402509326.db2.gz BFLKNUJZDSCIEG-NSHDSACASA-N 1 0 317.345 2.398 10 5 DEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1ccccc1[N+](=O)[O-] ZINC000247468621 402568233 /nfs/dbraw/zinc/56/82/33/402568233.db2.gz RMRDEYIYQIDUHU-KBPBESRZSA-N 1 0 305.378 2.142 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000247503676 402570100 /nfs/dbraw/zinc/57/01/00/402570100.db2.gz VGVRVTHVPZLIGO-HIFRSBDPSA-N 1 0 305.378 2.142 10 5 DEBERO CSc1cccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000188086336 402515175 /nfs/dbraw/zinc/51/51/75/402515175.db2.gz WCZHEMVJHQUITN-LLVKDONJSA-N 1 0 321.402 2.237 10 5 DEBERO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000178689995 402526925 /nfs/dbraw/zinc/52/69/25/402526925.db2.gz ATEFVBIPSQRERQ-CQSZACIVSA-N 1 0 305.378 2.046 10 5 DEBERO [NH3+][C@@H]1CCC[C@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)C[C@H]21 ZINC000262568587 402727052 /nfs/dbraw/zinc/72/70/52/402727052.db2.gz XCRJIZLVSTXIJK-JMJZKYOTSA-N 1 0 319.390 2.163 10 5 DEBERO COc1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000184208968 402827034 /nfs/dbraw/zinc/82/70/34/402827034.db2.gz VDVVRUZRIWYJEU-GFCCVEGCSA-N 1 0 309.341 2.023 10 5 DEBERO CC[NH+](CC)CCCCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000195235555 402838233 /nfs/dbraw/zinc/83/82/33/402838233.db2.gz YWCPATDTLMGERX-UHFFFAOYSA-N 1 0 308.382 2.150 10 5 DEBERO COC(=O)c1cc(N2CCC[C@H]([NH+](C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000268478144 403086979 /nfs/dbraw/zinc/08/69/79/403086979.db2.gz KBXAIAYVVXWYOE-LBPRGKRZSA-N 1 0 321.377 2.220 10 5 DEBERO C[C@@H](CC[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[S@](C)=O ZINC000129455477 196050299 /nfs/dbraw/zinc/05/02/99/196050299.db2.gz JBPCVCPIALWDTE-ZRNGKTOUSA-N 1 0 304.799 2.495 10 5 DEBERO O=C(NCC[C@H]1CCC[NH2+]C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132701882 196277198 /nfs/dbraw/zinc/27/71/98/196277198.db2.gz HGKQVROLYSHHTA-SNVBAGLBSA-N 1 0 311.769 2.368 10 5 DEBERO C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000134099609 196361653 /nfs/dbraw/zinc/36/16/53/196361653.db2.gz RQNUQBXIVWPBIO-BQBZGAKWSA-N 1 0 316.155 2.279 10 5 DEBERO Cc1cc(N2C[C@@H](C)[C@@H]([NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000235389501 268582694 /nfs/dbraw/zinc/58/26/94/268582694.db2.gz LJKHDLRTQVHNCZ-SCZZXKLOSA-N 1 0 314.183 2.449 10 5 DEBERO COc1cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000247009064 522138002 /nfs/dbraw/zinc/13/80/02/522138002.db2.gz HDEMZTXUZXXCPX-DGCLKSJQSA-N 1 0 321.377 2.062 10 5 DEBERO COCC[N@@H+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000247808505 523858409 /nfs/dbraw/zinc/85/84/09/523858409.db2.gz UCKHHWZYEGTJJL-UONOGXRCSA-N 1 0 307.394 2.308 10 5 DEBERO CC(=O)c1ccc(NC[C@@H]2CCCC[N@@H+]2CCO)c([N+](=O)[O-])c1 ZINC000450613650 534868167 /nfs/dbraw/zinc/86/81/67/534868167.db2.gz LYYRMGCJDXKWGM-AWEZNQCLSA-N 1 0 321.377 2.056 10 5 DEBERO CC(C)O[C@@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCOC1 ZINC000722358098 778651874 /nfs/dbraw/zinc/65/18/74/778651874.db2.gz SRXDXMOATBKTNM-CYBMUJFWSA-N 1 0 300.380 2.330 10 5 DEBERO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000137020395 282092852 /nfs/dbraw/zinc/09/28/52/282092852.db2.gz LXEWFALCFUWHIH-MRXNPFEDSA-N 1 0 316.361 2.231 10 5 DEBERO CC[C@@H]1CC[C@@H]([NH3+])[C@H](S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000081942708 192344398 /nfs/dbraw/zinc/34/43/98/192344398.db2.gz KDAIUSVFSFZRMW-JTNHKYCSSA-N 1 0 312.391 2.275 10 5 DEBERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1Nc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000090313337 185290659 /nfs/dbraw/zinc/29/06/59/185290659.db2.gz DGTFJRVHZFRYID-AXTRIDKLSA-N 1 0 303.721 2.304 10 5 DEBERO CC(C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC000092395320 185316044 /nfs/dbraw/zinc/31/60/44/185316044.db2.gz LXJAVJSQRNPNQU-LBPRGKRZSA-N 1 0 317.183 2.464 10 5 DEBERO C[C@H]1C[NH2+]C[C@@H](COc2cc(F)c(Cl)cc2[N+](=O)[O-])O1 ZINC000133639221 186002165 /nfs/dbraw/zinc/00/21/65/186002165.db2.gz RNIQNLMTLSAENN-YUMQZZPRSA-N 1 0 304.705 2.143 10 5 DEBERO CCCC[C@@H](C[NH3+])NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000150282150 186056244 /nfs/dbraw/zinc/05/62/44/186056244.db2.gz NNRXOEKCKNFIMK-QMMMGPOBSA-N 1 0 301.293 2.120 10 5 DEBERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181833194 356097595 /nfs/dbraw/zinc/09/75/95/356097595.db2.gz TYOGHLXNQKSTJS-ZYHUDNBSSA-N 1 0 314.407 2.235 10 5 DEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCc1ncn(C)n1 ZINC000592373570 357869078 /nfs/dbraw/zinc/86/90/78/357869078.db2.gz XRCNKBXYUGDCNN-UKTHLTGXSA-N 1 0 315.377 2.349 10 5 DEBERO [NH3+]CCCOCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000600954395 359869993 /nfs/dbraw/zinc/86/99/93/359869993.db2.gz ALEIVCCEHNMRCN-UHFFFAOYSA-N 1 0 318.171 2.135 10 5 DEBERO C[C@@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000194001489 201160819 /nfs/dbraw/zinc/16/08/19/201160819.db2.gz HOKPTKQYZBUSTC-YPMHNXCESA-N 1 0 322.365 2.418 10 5 DEBERO CC[NH+]1CCN([C@H](C)CNc2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611615947 361645491 /nfs/dbraw/zinc/64/54/91/361645491.db2.gz MUKMFMSCEPTTKI-CQSZACIVSA-N 1 0 321.425 2.045 10 5 DEBERO CC[NH+]1CCN([C@@H](C)CNc2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611615942 361645698 /nfs/dbraw/zinc/64/56/98/361645698.db2.gz MUKMFMSCEPTTKI-AWEZNQCLSA-N 1 0 321.425 2.045 10 5 DEBERO CCN(c1nc2sccn2c1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000091851311 193117558 /nfs/dbraw/zinc/11/75/58/193117558.db2.gz GJQAEQICTKXGGC-UHFFFAOYSA-N 1 0 309.395 2.400 10 5 DEBERO O=[N+]([O-])c1cnc(OC[C@@H]2CCCC[NH2+]2)c(Br)c1 ZINC000093434572 193251306 /nfs/dbraw/zinc/25/13/06/193251306.db2.gz SWFHMDOEXYEAHX-QMMMGPOBSA-N 1 0 316.155 2.273 10 5 DEBERO CC(C)[NH2+]CCOc1ncc([N+](=O)[O-])cc1Br ZINC000093434566 193251674 /nfs/dbraw/zinc/25/16/74/193251674.db2.gz MTBIAJUCXMZCIL-UHFFFAOYSA-N 1 0 304.144 2.129 10 5 DEBERO CCN(CC1CC[NH2+]CC1)c1nc2sccn2c1[N+](=O)[O-] ZINC000094043451 193340502 /nfs/dbraw/zinc/34/05/02/193340502.db2.gz TXELEUDGAPQYAS-UHFFFAOYSA-N 1 0 309.395 2.130 10 5 DEBERO CC[C@@](C)([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000094233441 193352999 /nfs/dbraw/zinc/35/29/99/193352999.db2.gz ZXXBXHDBWQYURB-LLVKDONJSA-N 1 0 316.155 2.423 10 5 DEBERO C[NH2+]C(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159446890 197354340 /nfs/dbraw/zinc/35/43/40/197354340.db2.gz STFYNYMIAMSJNZ-UHFFFAOYSA-N 1 0 316.155 2.294 10 5 DEBERO Cc1cc([N+](=O)[O-])c(Cl)cc1N1C[C@H](O)C[C@@H]1C[NH+](C)C ZINC000157727990 197211156 /nfs/dbraw/zinc/21/11/56/197211156.db2.gz XJBKHOXCYWJFIR-GHMZBOCLSA-N 1 0 313.785 2.058 10 5 DEBERO Cc1sc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000120790031 195238512 /nfs/dbraw/zinc/23/85/12/195238512.db2.gz OBBVLSYXXVWEIA-GXSJLCMTSA-N 1 0 311.407 2.377 10 5 DEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124763968 195677208 /nfs/dbraw/zinc/67/72/08/195677208.db2.gz IENJTCNMVSSJJJ-NEPJUHHUSA-N 1 0 321.377 2.158 10 5 DEBERO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+]2CCC1CC2 ZINC000188836536 145018256 /nfs/dbraw/zinc/01/82/56/145018256.db2.gz CIBIUZQTYWPDRM-UHFFFAOYSA-N 1 0 309.753 2.168 10 5 DEBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261795661 145227291 /nfs/dbraw/zinc/22/72/91/145227291.db2.gz UHSWGGGOKRSKLH-YUELXQCFSA-N 1 0 317.389 2.474 10 5 DEBERO O=[N+]([O-])c1ccccc1CN(C[C@@H](O)C(F)(F)F)C1CC1 ZINC000121784091 402052206 /nfs/dbraw/zinc/05/22/06/402052206.db2.gz AFRYILNSBQPLGY-GFCCVEGCSA-N 1 0 304.268 2.482 10 5 DEBERO CC[C@H]([NH2+]C[C@@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000123403769 402126039 /nfs/dbraw/zinc/12/60/39/402126039.db2.gz ACSHUYXGRWKZTB-CJNGLKHVSA-N 1 0 307.394 2.356 10 5 DEBERO CC[C@H]([NH2+]C[C@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000123404251 402126075 /nfs/dbraw/zinc/12/60/75/402126075.db2.gz ACSHUYXGRWKZTB-BBRMVZONSA-N 1 0 307.394 2.356 10 5 DEBERO Cc1c([C@H](C)[NH2+]C[C@@]2(CCO)CCOC2)cccc1[N+](=O)[O-] ZINC000125625299 402242861 /nfs/dbraw/zinc/24/28/61/402242861.db2.gz CDCYQUKSJQWWTE-XJKSGUPXSA-N 1 0 308.378 2.343 10 5 DEBERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000071189287 402270708 /nfs/dbraw/zinc/27/07/08/402270708.db2.gz JQDDUMHPEJBOOA-JTQLQIEISA-N 1 0 311.769 2.272 10 5 DEBERO CCC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000157716070 402297745 /nfs/dbraw/zinc/29/77/45/402297745.db2.gz WQLHTYTUTXSPAU-UHFFFAOYSA-N 1 0 321.377 2.152 10 5 DEBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000176461552 402311673 /nfs/dbraw/zinc/31/16/73/402311673.db2.gz RGAIWEHVSUFFRL-OCCSQVGLSA-N 1 0 320.393 2.123 10 5 DEBERO CCOC(=O)c1cc(N2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000176997091 402358051 /nfs/dbraw/zinc/35/80/51/402358051.db2.gz BHTIYQJVERPUCF-CYBMUJFWSA-N 1 0 319.361 2.056 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000177022188 402360138 /nfs/dbraw/zinc/36/01/38/402360138.db2.gz UMFKXGCZKHSAES-CQSZACIVSA-N 1 0 305.378 2.460 10 5 DEBERO Cc1cc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)ccc1[N+](=O)[O-] ZINC000186528345 402439072 /nfs/dbraw/zinc/43/90/72/402439072.db2.gz FTFGOJQDHSQELW-ZDUSSCGKSA-N 1 0 303.362 2.260 10 5 DEBERO O=C(NCCC[NH+]1CCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000170917984 402541448 /nfs/dbraw/zinc/54/14/48/402541448.db2.gz LEDRPRQFISMLKC-UHFFFAOYSA-N 1 0 316.361 2.292 10 5 DEBERO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000246823796 402546087 /nfs/dbraw/zinc/54/60/87/402546087.db2.gz CORJFMNROWFWBI-OCCSQVGLSA-N 1 0 305.378 2.272 10 5 DEBERO Cc1sc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000247556638 402572053 /nfs/dbraw/zinc/57/20/53/402572053.db2.gz ZSDQRORKAMYGIB-MWLCHTKSSA-N 1 0 309.391 2.273 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1CN1CCNC(=O)[C@@H]1CC(C)C ZINC000188922761 402527804 /nfs/dbraw/zinc/52/78/04/402527804.db2.gz FNCJVOVHNNPTLY-HNNXBMFYSA-N 1 0 305.378 2.250 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255494687 402689034 /nfs/dbraw/zinc/68/90/34/402689034.db2.gz DYASIGDFMLRXCV-MUGHPLOMSA-N 1 0 315.373 2.303 10 5 DEBERO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183218884 402747709 /nfs/dbraw/zinc/74/77/09/402747709.db2.gz YVCDFIPOXDKETD-AWEZNQCLSA-N 1 0 305.378 2.251 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCN1CCOC(C)(C)C1 ZINC000183474405 402770263 /nfs/dbraw/zinc/77/02/63/402770263.db2.gz FAIUBAWUBPUZQY-UHFFFAOYSA-N 1 0 307.394 2.104 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000266983193 403005181 /nfs/dbraw/zinc/00/51/81/403005181.db2.gz AFTAPLCTPSBQGC-SNVBAGLBSA-N 1 0 309.395 2.225 10 5 DEBERO C[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)N1CCOC[C@@H]1C ZINC000301282439 403610144 /nfs/dbraw/zinc/61/01/44/403610144.db2.gz OZADMFDDCRQMKY-ZJUUUORDSA-N 1 0 314.773 2.164 10 5 DEBERO COc1ccc(OCC[N@@H+]2CCOCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000378506102 404986532 /nfs/dbraw/zinc/98/65/32/404986532.db2.gz QULNNUGHTLEFJP-LBPRGKRZSA-N 1 0 310.350 2.093 10 5 DEBERO CCc1cc(I)c(C[NH3+])cc1[N+](=O)[O-] ZINC000575725275 406825703 /nfs/dbraw/zinc/82/57/03/406825703.db2.gz JHYXWUSQSJTEEO-UHFFFAOYSA-N 1 0 306.103 2.221 10 5 DEBERO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCOC2)ccc1Br ZINC000131375586 196163763 /nfs/dbraw/zinc/16/37/63/196163763.db2.gz PNEVREIAXNMRBK-SECBINFHSA-N 1 0 301.140 2.236 10 5 DEBERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000132052769 196221942 /nfs/dbraw/zinc/22/19/42/196221942.db2.gz DVCWRIPOLWQBOG-PWSUYJOCSA-N 1 0 309.341 2.289 10 5 DEBERO C[C@H]1C[NH2+]C[C@@H](COCc2c(Cl)cccc2[N+](=O)[O-])O1 ZINC000132811706 196285861 /nfs/dbraw/zinc/28/58/61/196285861.db2.gz PQIMDQCBVDLZFO-UWVGGRQHSA-N 1 0 300.742 2.142 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000261977780 278745994 /nfs/dbraw/zinc/74/59/94/278745994.db2.gz IWEKILMXJVAFFU-QGZVFWFLSA-N 1 0 312.373 2.445 10 5 DEBERO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000248762293 281257603 /nfs/dbraw/zinc/25/76/03/281257603.db2.gz JXJIBXMDYLWDEF-CHWSQXEVSA-N 1 0 303.362 2.212 10 5 DEBERO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000580368559 336260993 /nfs/dbraw/zinc/26/09/93/336260993.db2.gz UAQJMRYWKFTLGB-TUAOUCFPSA-N 1 0 309.366 2.325 10 5 DEBERO C[C@H](O)C[N@@H+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000247243278 525774008 /nfs/dbraw/zinc/77/40/08/525774008.db2.gz SNJUYALUKWGNNM-RDBSUJKOSA-N 1 0 307.394 2.043 10 5 DEBERO C[C@@H](CO)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000235114699 624945550 /nfs/dbraw/zinc/94/55/50/624945550.db2.gz YWFABVZHXZBYTL-IUCAKERBSA-N 1 0 317.183 2.464 10 5 DEBERO [NH3+][C@@H]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000310835520 625173848 /nfs/dbraw/zinc/17/38/48/625173848.db2.gz GQVQDISGMHOTSI-JGVFFNPUSA-N 1 0 315.171 2.292 10 5 DEBERO C[NH+](C)C1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000036192079 635879082 /nfs/dbraw/zinc/87/90/82/635879082.db2.gz FMCFYJPLSHHTEO-UHFFFAOYSA-N 1 0 311.769 2.414 10 5 DEBERO Fc1cccc(Br)c1C[N+]12CCN(CC1)CC2 ZINC000092844236 717138136 /nfs/dbraw/zinc/13/81/36/717138136.db2.gz FMMMIPLMTBUTGZ-UHFFFAOYSA-N 1 0 300.195 2.234 10 5 DEBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCCC1 ZINC000588444813 777199903 /nfs/dbraw/zinc/19/99/03/777199903.db2.gz IQJIDAPJVLUIOK-OUKQBFOZSA-N 1 0 303.362 2.210 10 5 DEBERO [NH3+][C@H]1CCC2(C[C@@H]1Sc1ccccc1[N+](=O)[O-])OCCO2 ZINC000081777030 192323427 /nfs/dbraw/zinc/32/34/27/192323427.db2.gz ZWUKAFFAICCHNM-GWCFXTLKSA-N 1 0 310.375 2.310 10 5 DEBERO CC[NH2+]CCOCc1ccc(Br)cc1[N+](=O)[O-] ZINC000162290179 197557337 /nfs/dbraw/zinc/55/73/37/197557337.db2.gz WQIDDQVWWKZZIA-UHFFFAOYSA-N 1 0 303.156 2.483 10 5 DEBERO C[NH2+][C@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000081942581 192343735 /nfs/dbraw/zinc/34/37/35/192343735.db2.gz GITOBMNDWKEFMA-GFCCVEGCSA-N 1 0 300.380 2.003 10 5 DEBERO CC(C)[NH2+]Cc1ncnn1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000088629006 185260529 /nfs/dbraw/zinc/26/05/29/185260529.db2.gz UKLCLVVZNLGXBO-UHFFFAOYSA-N 1 0 309.757 2.386 10 5 DEBERO Cc1nc2cc(N3C[C@H]4C[NH2+]C[C@@H]4C3)c([N+](=O)[O-])cc2s1 ZINC000090322969 185291135 /nfs/dbraw/zinc/29/11/35/185291135.db2.gz YHLVYYOFZLKOHP-NXEZZACHSA-N 1 0 304.375 2.169 10 5 DEBERO [NH3+]CCCCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000070202106 190871297 /nfs/dbraw/zinc/87/12/97/190871297.db2.gz GGIPRMMYBBDBEV-UHFFFAOYSA-N 1 0 316.155 2.425 10 5 DEBERO C[C@@H](C[C@H]1COCC[NH2+]1)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000133691418 186007499 /nfs/dbraw/zinc/00/74/99/186007499.db2.gz PMHORLZWMSHRIS-IUCAKERBSA-N 1 0 301.293 2.052 10 5 DEBERO O=[N+]([O-])c1cc(Cl)ccc1Cn1cc(C[NH2+]C2CC2)nn1 ZINC000090297695 355560495 /nfs/dbraw/zinc/56/04/95/355560495.db2.gz DHTGILCJBLFEKL-UHFFFAOYSA-N 1 0 307.741 2.140 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000183308718 356167157 /nfs/dbraw/zinc/16/71/57/356167157.db2.gz OKVDNSIVRHRCJS-ZDUSSCGKSA-N 1 0 305.378 2.381 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1CN1CCC([N@H+](C)CCCO)CC1 ZINC000183348331 356169280 /nfs/dbraw/zinc/16/92/80/356169280.db2.gz KLSKCGDLIHCHAN-UHFFFAOYSA-N 1 0 321.421 2.182 10 5 DEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC23CCC3)c1 ZINC000373100526 283141174 /nfs/dbraw/zinc/14/11/74/283141174.db2.gz SDGXKTUBXNDIAM-CQSZACIVSA-N 1 0 306.362 2.353 10 5 DEBERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000192869558 200955183 /nfs/dbraw/zinc/95/51/83/200955183.db2.gz HAMGEJPUBKPGGG-IPOQPSJVSA-N 1 0 322.405 2.403 10 5 DEBERO COC[C@@](C)(CO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000611479890 361606759 /nfs/dbraw/zinc/60/67/59/361606759.db2.gz PVKMNKOODAMUEN-MRXNPFEDSA-N 1 0 320.345 2.342 10 5 DEBERO COc1ccc(OCC[N@@H+]2CCOCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000611813167 361688395 /nfs/dbraw/zinc/68/83/95/361688395.db2.gz JQJSDXCDIAPCLM-UHFFFAOYSA-N 1 0 322.361 2.095 10 5 DEBERO O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000091134867 193000755 /nfs/dbraw/zinc/00/07/55/193000755.db2.gz XJHNMLZWVNUSFM-SECBINFHSA-N 1 0 315.782 2.282 10 5 DEBERO [NH3+]CC1CC(Oc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000091461539 193059342 /nfs/dbraw/zinc/05/93/42/193059342.db2.gz VFZXFKSHCMMPJO-UHFFFAOYSA-N 1 0 301.140 2.473 10 5 DEBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000250145179 202821184 /nfs/dbraw/zinc/82/11/84/202821184.db2.gz ZQYMDRMVTBFOSQ-MJVIPROJSA-N 1 0 323.418 2.190 10 5 DEBERO [NH3+][C@@H]1CCC[C@@H](Oc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000093219887 193217873 /nfs/dbraw/zinc/21/78/73/193217873.db2.gz QGFUTQFLVICICP-RKDXNWHRSA-N 1 0 316.155 2.401 10 5 DEBERO [NH3+][C@H]1CCCC[C@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000093434264 193250898 /nfs/dbraw/zinc/25/08/98/193250898.db2.gz CYJMAVGVBWOFEO-VHSXEESVSA-N 1 0 315.171 2.434 10 5 DEBERO [NH3+]C[C@@H]1CCC[C@@H]1Oc1ncc([N+](=O)[O-])cc1Br ZINC000093434589 193251934 /nfs/dbraw/zinc/25/19/34/193251934.db2.gz SRAZTWYLJCYFEF-XVKPBYJWSA-N 1 0 316.155 2.259 10 5 DEBERO C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000093522963 193263211 /nfs/dbraw/zinc/26/32/11/193263211.db2.gz SKEMNDPCSVAXCD-SNVBAGLBSA-N 1 0 300.380 2.069 10 5 DEBERO C[NH2+][C@H]1CCC[C@H]1CCS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000093623466 193275572 /nfs/dbraw/zinc/27/55/72/193275572.db2.gz OKTARZBRMQONCT-RYUDHWBXSA-N 1 0 312.391 2.147 10 5 DEBERO COC(=O)[C@@]1([NH3+])CC[C@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093847174 193318063 /nfs/dbraw/zinc/31/80/63/193318063.db2.gz CUURLTAZJHUYPQ-TVQRCGJNSA-N 1 0 314.725 2.050 10 5 DEBERO O=[N+]([O-])c1cc(Br)c(F)cc1N[C@H]1CC[NH2+]C1 ZINC000097368290 193711495 /nfs/dbraw/zinc/71/14/95/193711495.db2.gz IJUHJGOCLGDMFE-LURJTMIESA-N 1 0 304.119 2.270 10 5 DEBERO CCN(Cc1ccc(Br)c([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000159496410 197357821 /nfs/dbraw/zinc/35/78/21/197357821.db2.gz CEDSUYWKBQDKPP-UHFFFAOYSA-N 1 0 314.183 2.151 10 5 DEBERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000159537285 197360392 /nfs/dbraw/zinc/36/03/92/197360392.db2.gz CQUNVCSPUQRJOQ-FAQJLRJSSA-N 1 0 303.362 2.194 10 5 DEBERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000105872908 194152759 /nfs/dbraw/zinc/15/27/59/194152759.db2.gz BCKLFTPGEBXXCM-YPMHNXCESA-N 1 0 315.377 2.414 10 5 DEBERO O=[N+]([O-])c1ccc(CO[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000051782649 183836614 /nfs/dbraw/zinc/83/66/14/183836614.db2.gz RFICCOSJYSKCNA-JTQLQIEISA-N 1 0 301.140 2.236 10 5 DEBERO O=[N+]([O-])c1ccc(F)cc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000302815216 285118073 /nfs/dbraw/zinc/11/80/73/285118073.db2.gz KKYRVHHVMPTGQE-UHFFFAOYSA-N 1 0 323.368 2.283 10 5 DEBERO Cc1cc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)ccc1[N+](=O)[O-] ZINC000188691497 145016013 /nfs/dbraw/zinc/01/60/13/145016013.db2.gz BRSUUJAPHOYBAF-UHFFFAOYSA-N 1 0 311.341 2.436 10 5 DEBERO Cc1ccc(N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000301711414 292131718 /nfs/dbraw/zinc/13/17/18/292131718.db2.gz IBVQJDPBINSXFK-CABCVRRESA-N 1 0 319.405 2.329 10 5 DEBERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000248603957 145161038 /nfs/dbraw/zinc/16/10/38/145161038.db2.gz VUUHBSOVYJDVKZ-NEPJUHHUSA-N 1 0 323.368 2.438 10 5 DEBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000249035573 145175924 /nfs/dbraw/zinc/17/59/24/145175924.db2.gz SMSXGJSNWWMWOD-OUCADQQQSA-N 1 0 307.306 2.160 10 5 DEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000252443890 145199316 /nfs/dbraw/zinc/19/93/16/145199316.db2.gz QITVYANZKZDNJV-FZMZJTMJSA-N 1 0 304.350 2.295 10 5 DEBERO COc1cc(CN2CC[C@@H]([NH3+])C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000261707190 145219237 /nfs/dbraw/zinc/21/92/37/145219237.db2.gz MDRSTBUZXDGLKV-OAHLLOKOSA-N 1 0 323.393 2.171 10 5 DEBERO CC(C)(C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000261772146 145224651 /nfs/dbraw/zinc/22/46/51/145224651.db2.gz FSTRRRJHNRNEHP-AWEZNQCLSA-N 1 0 319.405 2.458 10 5 DEBERO CCOc1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000261789423 145226429 /nfs/dbraw/zinc/22/64/29/145226429.db2.gz LVWUOVMGMUVENU-DGCLKSJQSA-N 1 0 321.377 2.193 10 5 DEBERO C[C@H]1C[C@@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000262388945 145280621 /nfs/dbraw/zinc/28/06/21/145280621.db2.gz PFRDNQPEELJSCX-RYUDHWBXSA-N 1 0 305.378 2.334 10 5 DEBERO COc1ccc([N+](=O)[O-])cc1CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113268938 401773847 /nfs/dbraw/zinc/77/38/47/401773847.db2.gz CUNRGGGGMPKHLL-IUODEOHRSA-N 1 0 305.378 2.272 10 5 DEBERO CC(C)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000077356729 401812248 /nfs/dbraw/zinc/81/22/48/401812248.db2.gz MYCZBSFAVROTAQ-UHFFFAOYSA-N 1 0 321.377 2.423 10 5 DEBERO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917108 401918314 /nfs/dbraw/zinc/91/83/14/401918314.db2.gz HPXKWHBAKNNITN-MNOVXSKESA-N 1 0 309.391 2.261 10 5 DEBERO CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCC[N@H+](C)C1 ZINC000151203860 402022824 /nfs/dbraw/zinc/02/28/24/402022824.db2.gz ZRKDQNXLZAHSBJ-GFCCVEGCSA-N 1 0 316.361 2.242 10 5 DEBERO CC[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000151315582 402028894 /nfs/dbraw/zinc/02/88/94/402028894.db2.gz ZRSNJWSUKSATLC-SJORKVTESA-N 1 0 321.421 2.482 10 5 DEBERO Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000123179379 402114530 /nfs/dbraw/zinc/11/45/30/402114530.db2.gz JSCJQBJYBCVULI-DGCLKSJQSA-N 1 0 305.378 2.458 10 5 DEBERO Cc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000123400637 402125930 /nfs/dbraw/zinc/12/59/30/402125930.db2.gz BGSDMZIBINRIME-OLZOCXBDSA-N 1 0 305.378 2.458 10 5 DEBERO Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000153131060 402128259 /nfs/dbraw/zinc/12/82/59/402128259.db2.gz ZUFMOYHTBZSXNI-UONOGXRCSA-N 1 0 311.769 2.076 10 5 DEBERO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000124052210 402161276 /nfs/dbraw/zinc/16/12/76/402161276.db2.gz RZMLCRVSQSGBBN-AAEUAGOBSA-N 1 0 321.377 2.158 10 5 DEBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000067548146 402162479 /nfs/dbraw/zinc/16/24/79/402162479.db2.gz XZDPELABOALJGN-LLVKDONJSA-N 1 0 309.366 2.064 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124324164 402175271 /nfs/dbraw/zinc/17/52/71/402175271.db2.gz MLNDXDGDHXEUCY-CHWSQXEVSA-N 1 0 305.378 2.458 10 5 DEBERO Cc1c(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000125202901 402219226 /nfs/dbraw/zinc/21/92/26/402219226.db2.gz YZQIKTSXQCAJLS-DOMZBBRYSA-N 1 0 319.405 2.387 10 5 DEBERO Cc1ccc([C@H](C)[NH2+]C[C@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000125590856 402240744 /nfs/dbraw/zinc/24/07/44/402240744.db2.gz GBZJVUMVTIXVLC-BBRMVZONSA-N 1 0 308.378 2.343 10 5 DEBERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000177028535 402360588 /nfs/dbraw/zinc/36/05/88/402360588.db2.gz JKTBAMBUPJLGQY-FZMZJTMJSA-N 1 0 306.366 2.445 10 5 DEBERO Cc1ccc([C@@H](C)NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000176741625 402333027 /nfs/dbraw/zinc/33/30/27/402333027.db2.gz ORSSLKIRCAVKKK-OCCSQVGLSA-N 1 0 320.393 2.310 10 5 DEBERO Cc1c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000237225151 402400570 /nfs/dbraw/zinc/40/05/70/402400570.db2.gz ADIFXVGMJDJYTE-FUNVUKJBSA-N 1 0 303.362 2.258 10 5 DEBERO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000186580193 402444261 /nfs/dbraw/zinc/44/42/61/402444261.db2.gz XBMAMFGQZOVWPX-RISCZKNCSA-N 1 0 314.407 2.312 10 5 DEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247429650 402566815 /nfs/dbraw/zinc/56/68/15/402566815.db2.gz OOILRQSSAGRLGB-SWLSCSKDSA-N 1 0 305.378 2.397 10 5 DEBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175486884 402810823 /nfs/dbraw/zinc/81/08/23/402810823.db2.gz SOMRYOZYFGCDRR-AWEZNQCLSA-N 1 0 319.405 2.452 10 5 DEBERO CCN1CC[NH+](C[C@H](C)CNc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302824379 403730744 /nfs/dbraw/zinc/73/07/44/403730744.db2.gz WSXLCWBIVCIOQY-CYBMUJFWSA-N 1 0 324.400 2.419 10 5 DEBERO C[C@H](CCC[NH3+])Nc1c(Br)cncc1[N+](=O)[O-] ZINC000310191207 403966549 /nfs/dbraw/zinc/96/65/49/403966549.db2.gz QDDBYIRIDDVWEG-SSDOTTSWSA-N 1 0 303.160 2.292 10 5 DEBERO CS[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1[NH+]1CCCC1 ZINC000445595536 405353380 /nfs/dbraw/zinc/35/33/80/405353380.db2.gz FUDLDAOUHKHHNJ-QWHCGFSZSA-N 1 0 308.407 2.006 10 5 DEBERO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCC[NH+]1CCCC1 ZINC000450278816 405812851 /nfs/dbraw/zinc/81/28/51/405812851.db2.gz VMIFPAGDAXBKBQ-UHFFFAOYSA-N 1 0 316.361 2.081 10 5 DEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000572754267 406732577 /nfs/dbraw/zinc/73/25/77/406732577.db2.gz SOLBWXQJAXJQJF-STQMWFEESA-N 1 0 307.398 2.183 10 5 DEBERO Cc1cc([N+](=O)[O-])c(Cl)cc1OC[C@@H]1C[NH2+]C[C@@H](C)O1 ZINC000133726498 196332424 /nfs/dbraw/zinc/33/24/24/196332424.db2.gz MDNMJGSERCISRB-ZJUUUORDSA-N 1 0 300.742 2.312 10 5 DEBERO Cc1cc([N+](=O)[O-])c(Cl)cc1OC[C@@H]1C[NH2+]C[C@H](C)O1 ZINC000133726086 196332460 /nfs/dbraw/zinc/33/24/60/196332460.db2.gz MDNMJGSERCISRB-UWVGGRQHSA-N 1 0 300.742 2.312 10 5 DEBERO CC(C)(O)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162190599 636560197 /nfs/dbraw/zinc/56/01/97/636560197.db2.gz GDICTLDLSYRWPI-UHFFFAOYSA-N 1 0 303.156 2.218 10 5 DEBERO C/C(=C/C(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752386864 639179635 /nfs/dbraw/zinc/17/96/35/639179635.db2.gz PNEIHLGGGYHGIY-ZVHGMHCTSA-N 1 0 317.389 2.408 10 5 DEBERO [NH3+]C1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000043596848 683901008 /nfs/dbraw/zinc/90/10/08/683901008.db2.gz SOOUWHGMSOMNPN-UHFFFAOYSA-N 1 0 300.156 2.285 10 5 DEBERO [NH3+]C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@@H]1C(F)(F)F ZINC000720877466 1086316381 /nfs/dbraw/zinc/31/63/81/1086316381.db2.gz PSNXBXMWRIERRQ-IUCAKERBSA-N 1 0 309.313 2.225 10 5 DEBERO [NH3+]C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@@H]1C(F)(F)F ZINC000720877451 1086317293 /nfs/dbraw/zinc/31/72/93/1086317293.db2.gz PSNXBXMWRIERRQ-BDAKNGLRSA-N 1 0 309.313 2.225 10 5 DEBERO CCC[NH2+][C@H](CC)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942211 192343929 /nfs/dbraw/zinc/34/39/29/192343929.db2.gz RHGKRZLDWKUIBI-LLVKDONJSA-N 1 0 300.380 2.147 10 5 DEBERO [NH3+][C@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000081942084 192344191 /nfs/dbraw/zinc/34/41/91/192344191.db2.gz QLQDKHXQZGOWIN-CQSZACIVSA-N 1 0 306.343 2.069 10 5 DEBERO C[NH2+]CCCc1nnc(-c2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000088811812 185266322 /nfs/dbraw/zinc/26/63/22/185266322.db2.gz PTRVXPCBTRMAFN-UHFFFAOYSA-N 1 0 308.363 2.274 10 5 DEBERO CC[C@H](NC(=O)NC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090516033 185299914 /nfs/dbraw/zinc/29/99/14/185299914.db2.gz VMNZPCAIIMSCAF-HNNXBMFYSA-N 1 0 320.393 2.439 10 5 DEBERO C[NH+](C)CC1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000130097618 185936556 /nfs/dbraw/zinc/93/65/56/185936556.db2.gz OXOFFDPDDXYIRX-UHFFFAOYSA-N 1 0 319.405 2.374 10 5 DEBERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000152698543 186098708 /nfs/dbraw/zinc/09/87/08/186098708.db2.gz PQDSWSUJKMPEDK-NSHDSACASA-N 1 0 311.769 2.462 10 5 DEBERO Cc1sc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155722226 186106519 /nfs/dbraw/zinc/10/65/19/186106519.db2.gz BTXCQNUFGIYRFC-ONGXEEELSA-N 1 0 311.407 2.423 10 5 DEBERO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000588820300 357426339 /nfs/dbraw/zinc/42/63/39/357426339.db2.gz VRLIPPHVWNQHQM-DGCLKSJQSA-N 1 0 307.398 2.183 10 5 DEBERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1[N+](=O)[O-] ZINC000180581767 199179362 /nfs/dbraw/zinc/17/93/62/199179362.db2.gz YGKKXBSQHTWYSF-DGCLKSJQSA-N 1 0 301.350 2.160 10 5 DEBERO [NH3+][C@H]1CCC[C@@H](Oc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000093219885 193218412 /nfs/dbraw/zinc/21/84/12/193218412.db2.gz QGFUTQFLVICICP-DTWKUNHWSA-N 1 0 316.155 2.401 10 5 DEBERO [NH3+][C@H]1CC[C@H](Oc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000093219086 193218580 /nfs/dbraw/zinc/21/85/80/193218580.db2.gz BWZLZTRZFMBPTB-YUMQZZPRSA-N 1 0 302.128 2.011 10 5 DEBERO [NH3+][C@H]1CCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000093434315 193250403 /nfs/dbraw/zinc/25/04/03/193250403.db2.gz DHJUSNIZWCHRPL-IUCAKERBSA-N 1 0 301.144 2.044 10 5 DEBERO [NH3+]C[C@H]1CCC[C@@H]1Oc1ncc([N+](=O)[O-])cc1Br ZINC000093434587 193251990 /nfs/dbraw/zinc/25/19/90/193251990.db2.gz SRAZTWYLJCYFEF-XCBNKYQSSA-N 1 0 316.155 2.259 10 5 DEBERO C[N@@H+]1CC[C@H](Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000094188009 193348068 /nfs/dbraw/zinc/34/80/68/193348068.db2.gz CRBKCIAJSUVIHB-VIFPVBQESA-N 1 0 300.156 2.473 10 5 DEBERO [NH3+]CCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000036813380 182844168 /nfs/dbraw/zinc/84/41/68/182844168.db2.gz ZJYDHYZMPZNUBU-UHFFFAOYSA-N 1 0 311.139 2.276 10 5 DEBERO CN(CC[NH+](C)C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159428917 197352909 /nfs/dbraw/zinc/35/29/09/197352909.db2.gz DFLQXORIUPEDNK-UHFFFAOYSA-N 1 0 316.199 2.351 10 5 DEBERO O=[N+]([O-])c1ccc(COC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000051888474 183841230 /nfs/dbraw/zinc/84/12/30/183841230.db2.gz XGIFHGMFJJVHIP-SECBINFHSA-N 1 0 315.167 2.483 10 5 DEBERO O=C(c1ccc([N+](=O)[O-])s1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063189421 184277324 /nfs/dbraw/zinc/27/73/24/184277324.db2.gz XSTHKPVSTDREFE-WDEREUQCSA-N 1 0 309.391 2.403 10 5 DEBERO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000537963696 285023253 /nfs/dbraw/zinc/02/32/53/285023253.db2.gz SLPSFJBPDKAXOM-QWHCGFSZSA-N 1 0 320.393 2.358 10 5 DEBERO CSc1ccc(C(=O)N2[C@H](C)CN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155106697 197022841 /nfs/dbraw/zinc/02/28/41/197022841.db2.gz QLXUKOYQMVSJTD-PHIMTYICSA-N 1 0 323.418 2.481 10 5 DEBERO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC2(CCCC2)O1 ZINC000190984347 145051045 /nfs/dbraw/zinc/05/10/45/145051045.db2.gz LFKZLSAQAQHAPZ-UHFFFAOYSA-N 1 0 308.382 2.215 10 5 DEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000246574506 145107081 /nfs/dbraw/zinc/10/70/81/145107081.db2.gz OFRZOSBFNSKYKL-JQWIXIFHSA-N 1 0 307.325 2.043 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000246838721 145116141 /nfs/dbraw/zinc/11/61/41/145116141.db2.gz BHDBLSWECMGHFX-NEPJUHHUSA-N 1 0 309.391 2.355 10 5 DEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116131221 401843052 /nfs/dbraw/zinc/84/30/52/401843052.db2.gz NZEUOUWIQOTQFB-AWEZNQCLSA-N 1 0 322.409 2.394 10 5 DEBERO Cn1cc([C@@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000137038214 401978178 /nfs/dbraw/zinc/97/81/78/401978178.db2.gz UDHHUSVFONFJJL-HOTGVXAUSA-N 1 0 316.361 2.199 10 5 DEBERO CN(C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)NC(C)(C)C ZINC000120654449 401996909 /nfs/dbraw/zinc/99/69/09/401996909.db2.gz NSXMTPDYXTYORC-VQHVLOKHSA-N 1 0 305.378 2.455 10 5 DEBERO CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCC[N@H+](C)C1 ZINC000151203786 402023136 /nfs/dbraw/zinc/02/31/36/402023136.db2.gz ZRKDQNXLZAHSBJ-LBPRGKRZSA-N 1 0 316.361 2.242 10 5 DEBERO COCC[N@@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000120789175 402002127 /nfs/dbraw/zinc/00/21/27/402002127.db2.gz FOZOEXOUWLFVTK-ZKKXHLJNSA-N 1 0 319.405 2.261 10 5 DEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])[C@H](C)C1 ZINC000124647733 402190111 /nfs/dbraw/zinc/19/01/11/402190111.db2.gz ZLJNTNAGSYQLMO-DGCLKSJQSA-N 1 0 321.381 2.184 10 5 DEBERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000071189301 402271088 /nfs/dbraw/zinc/27/10/88/402271088.db2.gz ZEYBHBJPLRIUMS-SNVBAGLBSA-N 1 0 311.769 2.272 10 5 DEBERO Cc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000247462854 402567659 /nfs/dbraw/zinc/56/76/59/402567659.db2.gz QZENDEWUIIYQLM-OCCSQVGLSA-N 1 0 303.362 2.212 10 5 DEBERO C[C@H]1CC[C@](CO)([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000187987879 402515252 /nfs/dbraw/zinc/51/52/52/402515252.db2.gz NTQPQXZUJPETRD-BBRMVZONSA-N 1 0 308.378 2.457 10 5 DEBERO Cc1csc([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000174838383 402759625 /nfs/dbraw/zinc/75/96/25/402759625.db2.gz IJHVVNUQDZLABH-GFCCVEGCSA-N 1 0 321.406 2.436 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000175347265 402798975 /nfs/dbraw/zinc/79/89/75/402798975.db2.gz JWERSIDQHQMBJQ-OAHLLOKOSA-N 1 0 307.394 2.390 10 5 DEBERO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000194752032 402814466 /nfs/dbraw/zinc/81/44/66/402814466.db2.gz NUJBYWGPOZJAES-OLZOCXBDSA-N 1 0 305.378 2.458 10 5 DEBERO CC[N@@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(C)c3)[C@H]2C1 ZINC000292800986 403378997 /nfs/dbraw/zinc/37/89/97/403378997.db2.gz NJWVIFINYIGEDT-JKSUJKDBSA-N 1 0 305.378 2.203 10 5 DEBERO C[N@@H+]1CCC[C@H]2CN(c3cc(CO)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000302027266 403706950 /nfs/dbraw/zinc/70/69/50/403706950.db2.gz IPVXWEBLDOZYHS-UONOGXRCSA-N 1 0 305.378 2.008 10 5 DEBERO CC[N@H+](C)[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000302610257 403711975 /nfs/dbraw/zinc/71/19/75/403711975.db2.gz ANZLRSODZAIBNQ-GFCCVEGCSA-N 1 0 318.377 2.010 10 5 DEBERO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)[C@H]2C1 ZINC000342433751 404575713 /nfs/dbraw/zinc/57/57/13/404575713.db2.gz UUBWEWUIVNHILH-MELADBBJSA-N 1 0 323.418 2.393 10 5 DEBERO O=C(CC[N@@H+]1CCOCC2(CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000570595758 406414334 /nfs/dbraw/zinc/41/43/34/406414334.db2.gz VKZZJDJLUHQBNI-UHFFFAOYSA-N 1 0 319.361 2.036 10 5 DEBERO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000128965141 196007767 /nfs/dbraw/zinc/00/77/67/196007767.db2.gz SCPRWGCSEWEJKK-GFCCVEGCSA-N 1 0 323.393 2.310 10 5 DEBERO [NH3+]C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1Br ZINC000132004276 196217736 /nfs/dbraw/zinc/21/77/36/196217736.db2.gz WLDODEZBHXNGBU-VIFPVBQESA-N 1 0 300.156 2.285 10 5 DEBERO O=[N+]([O-])c1c(F)cccc1N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000301715553 280353740 /nfs/dbraw/zinc/35/37/40/280353740.db2.gz JUEGCLVMKXQRSM-CHWSQXEVSA-N 1 0 323.368 2.159 10 5 DEBERO C[N@@H+]1CCO[C@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000285085200 290114644 /nfs/dbraw/zinc/11/46/44/290114644.db2.gz PXBKUUZXHDPAEI-KGLIPLIRSA-N 1 0 311.769 2.158 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](CCOC(C)C)CC1 ZINC000183361536 333184393 /nfs/dbraw/zinc/18/43/93/333184393.db2.gz KVHXUAUANIDEBY-UHFFFAOYSA-N 1 0 321.421 2.446 10 5 DEBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)C1C[NH2+]C1 ZINC000262173864 535094270 /nfs/dbraw/zinc/09/42/70/535094270.db2.gz KLAVDWVBYIUYAT-GFCCVEGCSA-N 1 0 305.378 2.187 10 5 DEBERO C[C@@H]([NH3+])[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CCO1 ZINC000300264985 623008964 /nfs/dbraw/zinc/00/89/64/623008964.db2.gz ANYLCPUPTRJGIY-RDDDGLTNSA-N 1 0 320.176 2.454 10 5 DEBERO C/C(=C/C(=O)N[C@H](C)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000752358964 639175584 /nfs/dbraw/zinc/17/55/84/639175584.db2.gz BKLDMFFAYCJIOK-YLGBQOPLSA-N 1 0 305.378 2.455 10 5 DEBERO C/C(=C/C(=O)N[C@@H](C)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000752358962 639175952 /nfs/dbraw/zinc/17/59/52/639175952.db2.gz BKLDMFFAYCJIOK-HHQWOOOKSA-N 1 0 305.378 2.455 10 5 DEBERO NC(=O)C1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000037152401 683882142 /nfs/dbraw/zinc/88/21/42/683882142.db2.gz TWDLAASHFZGQJQ-UHFFFAOYSA-N 1 0 311.769 2.382 10 5 DEBERO CN(C)C(=O)Sc1ccc(C[N+]23CCN(CC2)CC3)cc1 ZINC000083975351 717135759 /nfs/dbraw/zinc/13/57/59/717135759.db2.gz ISTHBDRERICKQG-UHFFFAOYSA-N 1 0 306.455 2.106 10 5 DEBERO CC1(C)C[NH2+]C[C@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000721887388 781547777 /nfs/dbraw/zinc/54/77/77/781547777.db2.gz LNMCGSURSBMLNJ-SECBINFHSA-N 1 0 315.171 2.162 10 5 DEBERO [NH3+][C@H]1CCCCCC[C@H]1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942889 192343760 /nfs/dbraw/zinc/34/37/60/192343760.db2.gz MGOMAGCEQZVSKO-WCQYABFASA-N 1 0 312.391 2.419 10 5 DEBERO CCC[NH2+][C@@H](C)[C@H](C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942535 192344413 /nfs/dbraw/zinc/34/44/13/192344413.db2.gz NQGAHQLRIPBVHY-QWRGUYRKSA-N 1 0 300.380 2.145 10 5 DEBERO CC(C)(C)[NH2+]C[C@H](O)COc1cc(Cl)ccc1[N+](=O)[O-] ZINC000123615372 185825843 /nfs/dbraw/zinc/82/58/43/185825843.db2.gz SWWPRPOHCGNPRG-JTQLQIEISA-N 1 0 302.758 2.376 10 5 DEBERO CC[NH2+][C@@H]1CCC[C@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000084430162 192430510 /nfs/dbraw/zinc/43/05/10/192430510.db2.gz LEPIMJDAUOLBPW-RISCZKNCSA-N 1 0 312.391 2.289 10 5 DEBERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149230348 186048207 /nfs/dbraw/zinc/04/82/07/186048207.db2.gz CFDLDQRCRYFJIR-JTQLQIEISA-N 1 0 311.769 2.272 10 5 DEBERO [NH3+]Cc1ccc(OCc2cn3ccsc3n2)c([N+](=O)[O-])c1 ZINC000148630300 186045603 /nfs/dbraw/zinc/04/56/03/186045603.db2.gz GBEGXTTXFYSWOE-UHFFFAOYSA-N 1 0 304.331 2.342 10 5 DEBERO COC(=O)c1cc(NC[C@@H]2CCC[N@H+](C)C2)cc(C)c1[N+](=O)[O-] ZINC000091482654 355599025 /nfs/dbraw/zinc/59/90/25/355599025.db2.gz KFAIBRUJCIBARI-LBPRGKRZSA-N 1 0 321.377 2.444 10 5 DEBERO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1[NH+](C)C ZINC000089710479 192848523 /nfs/dbraw/zinc/84/85/23/192848523.db2.gz OWOCHONTEBRWKD-ZANVPECISA-N 1 0 311.769 2.270 10 5 DEBERO NC(=O)[C@]1([NH3+])CCC[C@H]1CCSc1ccc([N+](=O)[O-])cc1 ZINC000093627047 193275994 /nfs/dbraw/zinc/27/59/94/193275994.db2.gz FCQPBYSMDDMAMN-HZMBPMFUSA-N 1 0 309.391 2.060 10 5 DEBERO C[NH2+][C@]1(C(N)=O)CCC[C@@H](Sc2ccccc2[N+](=O)[O-])C1 ZINC000093776258 193305309 /nfs/dbraw/zinc/30/53/09/193305309.db2.gz QIUGJTYDAWKVCW-QMTHXVAHSA-N 1 0 309.391 2.073 10 5 DEBERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000101641248 193831540 /nfs/dbraw/zinc/83/15/40/193831540.db2.gz YUZBJWQKXLZTCJ-NSHDSACASA-N 1 0 309.366 2.064 10 5 DEBERO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000105883034 194155413 /nfs/dbraw/zinc/15/54/13/194155413.db2.gz UIXFMRSXDIMFMN-AWEZNQCLSA-N 1 0 301.350 2.099 10 5 DEBERO CCCN(c1nc2sccn2c1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000110948652 194373544 /nfs/dbraw/zinc/37/35/44/194373544.db2.gz MRURSVOCXCYPOP-SNVBAGLBSA-N 1 0 309.395 2.272 10 5 DEBERO CC(C)[N@@H+]1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000288616910 220292172 /nfs/dbraw/zinc/29/21/72/220292172.db2.gz XLOKOMMBQTXRRQ-VIFPVBQESA-N 1 0 307.379 2.494 10 5 DEBERO O=[N+]([O-])c1cc(F)c(Br)cc1O[C@H]1CC[NH2+]C1 ZINC000158809415 197302657 /nfs/dbraw/zinc/30/26/57/197302657.db2.gz CHSDWRNRUXYSNC-LURJTMIESA-N 1 0 305.103 2.237 10 5 DEBERO CN(C[C@@H]1C[NH2+]CCO1)c1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000157818147 197217810 /nfs/dbraw/zinc/21/78/10/197217810.db2.gz IBZCLZKORNHWNR-QMMMGPOBSA-N 1 0 320.176 2.326 10 5 DEBERO [NH3+]CC1(C(=O)Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000122008422 195389562 /nfs/dbraw/zinc/38/95/62/195389562.db2.gz ANASKHAMTSUOQV-UHFFFAOYSA-N 1 0 314.139 2.035 10 5 DEBERO COc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000194450853 533394710 /nfs/dbraw/zinc/39/47/10/533394710.db2.gz LFJLUEDZGQLTLD-NWDGAFQWSA-N 1 0 321.377 2.158 10 5 DEBERO COc1ccc(C[NH2+]CCN2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000358134455 133123736 /nfs/dbraw/zinc/12/37/36/133123736.db2.gz JHQLVMGPNZEEFX-UHFFFAOYSA-N 1 0 305.378 2.345 10 5 DEBERO COc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000262001408 145252288 /nfs/dbraw/zinc/25/22/88/145252288.db2.gz VDJRUPQNZIHOIL-PBWFPOADSA-N 1 0 305.378 2.318 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOCC[C@H]1C ZINC000374982711 148311699 /nfs/dbraw/zinc/31/16/99/148311699.db2.gz UMLLSJOSQJFTDW-CYBMUJFWSA-N 1 0 321.377 2.343 10 5 DEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000076479600 401796103 /nfs/dbraw/zinc/79/61/03/401796103.db2.gz BNGYQZKYOJFNEF-OCCSQVGLSA-N 1 0 305.378 2.397 10 5 DEBERO O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1CCCC[NH2+]1 ZINC000044493568 401943965 /nfs/dbraw/zinc/94/39/65/401943965.db2.gz LHTUWMZNKKSSNQ-SECBINFHSA-N 1 0 315.171 2.306 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000121155741 402017419 /nfs/dbraw/zinc/01/74/19/402017419.db2.gz MSNBSZXWPOAFAI-SWLSCSKDSA-N 1 0 305.378 2.315 10 5 DEBERO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000051536372 402034523 /nfs/dbraw/zinc/03/45/23/402034523.db2.gz LAKQLDUCDCZXPG-AWEZNQCLSA-N 1 0 304.350 2.297 10 5 DEBERO C[NH+](C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000052554408 402043997 /nfs/dbraw/zinc/04/39/97/402043997.db2.gz RUAJOYSWMNGJQI-LBPRGKRZSA-N 1 0 303.318 2.221 10 5 DEBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(N2CCNC2=O)CC1 ZINC000053283344 402054376 /nfs/dbraw/zinc/05/43/76/402054376.db2.gz CDLKWVSFURIFGH-GFCCVEGCSA-N 1 0 318.377 2.145 10 5 DEBERO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)NC(C)(C)C ZINC000055899690 402087305 /nfs/dbraw/zinc/08/73/05/402087305.db2.gz SUMFTKFMKQYMRR-UHFFFAOYSA-N 1 0 323.393 2.210 10 5 DEBERO Cc1sc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000108783004 402261320 /nfs/dbraw/zinc/26/13/20/402261320.db2.gz YLDFRWNHZYQRJS-SNVBAGLBSA-N 1 0 309.391 2.179 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000176966898 402355287 /nfs/dbraw/zinc/35/52/87/402355287.db2.gz UMMVHJLAFJTBDV-CYBMUJFWSA-N 1 0 321.377 2.160 10 5 DEBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000177028519 402360935 /nfs/dbraw/zinc/36/09/35/402360935.db2.gz JKTBAMBUPJLGQY-RISCZKNCSA-N 1 0 306.366 2.445 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H]1CCCO1 ZINC000170687741 402514521 /nfs/dbraw/zinc/51/45/21/402514521.db2.gz PKOUNGLQCIQYBH-AWEZNQCLSA-N 1 0 321.377 2.343 10 5 DEBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178475419 402502477 /nfs/dbraw/zinc/50/24/77/402502477.db2.gz JGCFJCAGSWLMJK-HUUCEWRRSA-N 1 0 319.405 2.310 10 5 DEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000246790124 402545355 /nfs/dbraw/zinc/54/53/55/402545355.db2.gz BKUVVCRGKRPYHG-JQWIXIFHSA-N 1 0 307.325 2.043 10 5 DEBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000247339791 402564735 /nfs/dbraw/zinc/56/47/35/402564735.db2.gz NMCNTOGVCWFBEB-IUODEOHRSA-N 1 0 320.393 2.123 10 5 DEBERO Cc1c(CC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000178637142 402520140 /nfs/dbraw/zinc/52/01/40/402520140.db2.gz WCDLJWUKMNXHIV-HNNXBMFYSA-N 1 0 317.389 2.142 10 5 DEBERO Cc1c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000171705842 402612417 /nfs/dbraw/zinc/61/24/17/402612417.db2.gz JFMSNBFASLKOKZ-CQSZACIVSA-N 1 0 301.350 2.332 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000183389714 402762490 /nfs/dbraw/zinc/76/24/90/402762490.db2.gz HESBYEIXDHSOEN-RHSMWYFYSA-N 1 0 319.405 2.056 10 5 DEBERO CSc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000195310113 402841791 /nfs/dbraw/zinc/84/17/91/402841791.db2.gz GKYSTLZUFSQAFM-GFCCVEGCSA-N 1 0 321.402 2.237 10 5 DEBERO COCC[C@@H](COC)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000336835833 403919560 /nfs/dbraw/zinc/91/95/60/403919560.db2.gz VKCLXTNKEASJMD-NSHDSACASA-N 1 0 302.758 2.389 10 5 DEBERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000389726429 405040141 /nfs/dbraw/zinc/04/01/41/405040141.db2.gz LLRFEUYDCBYNHS-XVKPBYJWSA-N 1 0 315.171 2.162 10 5 DEBERO C[C@H]1C[C@@H]([NH3+])CCN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000132035711 196221398 /nfs/dbraw/zinc/22/13/98/196221398.db2.gz NWGCCTMVBZGMHT-CBAPKCEASA-N 1 0 315.171 2.068 10 5 DEBERO C[C@@H](C[C@H]1COCC[NH2+]1)Nc1c(F)cc(F)cc1[N+](=O)[O-] ZINC000134113510 196362558 /nfs/dbraw/zinc/36/25/58/196362558.db2.gz QMKDCSYSAYTMOM-WPRPVWTQSA-N 1 0 301.293 2.052 10 5 DEBERO C[NH+](C)C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000193413360 424868580 /nfs/dbraw/zinc/86/85/80/424868580.db2.gz DWDIERIALYGUKP-UHFFFAOYSA-N 1 0 307.394 2.390 10 5 DEBERO COC[C@]1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261897325 274053106 /nfs/dbraw/zinc/05/31/06/274053106.db2.gz OMAWAXWRKPJWAZ-MRXNPFEDSA-N 1 0 316.361 2.324 10 5 DEBERO C[C@@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235383176 274361238 /nfs/dbraw/zinc/36/12/38/274361238.db2.gz RWCVPBONLKSRHC-APPZFPTMSA-N 1 0 300.156 2.141 10 5 DEBERO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000057857769 275035991 /nfs/dbraw/zinc/03/59/91/275035991.db2.gz DRKFLKGFHSYOOI-UHFFFAOYSA-N 1 0 306.322 2.178 10 5 DEBERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000178223353 276695536 /nfs/dbraw/zinc/69/55/36/276695536.db2.gz KUGQRLPDHSHQMQ-DGCLKSJQSA-N 1 0 315.377 2.414 10 5 DEBERO C[C@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000087834103 279878785 /nfs/dbraw/zinc/87/87/85/279878785.db2.gz VSBLBRGKCDWFTB-QMMMGPOBSA-N 1 0 300.156 2.155 10 5 DEBERO Cc1ccc(OCC[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000157475031 525417594 /nfs/dbraw/zinc/41/75/94/525417594.db2.gz DMZXXMWZUHGHMJ-UHFFFAOYSA-N 1 0 304.350 2.111 10 5 DEBERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000072966886 635332208 /nfs/dbraw/zinc/33/22/08/635332208.db2.gz SFZQAUYYTDNZKQ-HNNXBMFYSA-N 1 0 322.361 2.108 10 5 DEBERO C/C(=C\C(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752041158 639149972 /nfs/dbraw/zinc/14/99/72/639149972.db2.gz MIDBOGDAAIBGHX-WONIAPNHSA-N 1 0 303.362 2.209 10 5 DEBERO C[NH+](C)CC1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000119981470 684090160 /nfs/dbraw/zinc/09/01/60/684090160.db2.gz UKCHATXTEGWCFL-UHFFFAOYSA-N 1 0 320.393 2.027 10 5 DEBERO C[NH2+][C@@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000162382331 197563570 /nfs/dbraw/zinc/56/35/70/197563570.db2.gz HWGBQOPKXUVITM-LLVKDONJSA-N 1 0 314.183 2.151 10 5 DEBERO C[NH2+][C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000081941851 192343652 /nfs/dbraw/zinc/34/36/52/192343652.db2.gz QOAXBHWFYGWDEN-LBPRGKRZSA-N 1 0 300.380 2.003 10 5 DEBERO [NH3+][C@H]1CCCCCC[C@@H]1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942896 192343867 /nfs/dbraw/zinc/34/38/67/192343867.db2.gz MGOMAGCEQZVSKO-AAEUAGOBSA-N 1 0 312.391 2.419 10 5 DEBERO [NH3+][C@@H]1CCCCCC[C@@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942196 192344466 /nfs/dbraw/zinc/34/44/66/192344466.db2.gz RVQHGFWXEDKGSD-KGLIPLIRSA-N 1 0 312.391 2.419 10 5 DEBERO CCC[NH2+][C@@H]1CCC[C@@H]1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942684 192344660 /nfs/dbraw/zinc/34/46/60/192344660.db2.gz HKBSDPLYZRHCEE-YPMHNXCESA-N 1 0 312.391 2.289 10 5 DEBERO C[NH+](C)CC1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000129938769 185922870 /nfs/dbraw/zinc/92/28/70/185922870.db2.gz BEHGJEARALCXGW-UHFFFAOYSA-N 1 0 305.378 2.445 10 5 DEBERO C[NH+](C)C1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000149237546 186048740 /nfs/dbraw/zinc/04/87/40/186048740.db2.gz WUKLBYXRFMNQQU-UHFFFAOYSA-N 1 0 311.769 2.414 10 5 DEBERO C[C@@H](C[NH3+])CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000149803287 186053151 /nfs/dbraw/zinc/05/31/51/186053151.db2.gz ZOFUGCCLNZEMID-SSDOTTSWSA-N 1 0 316.155 2.281 10 5 DEBERO [NH3+]Cc1ccc(CNc2nc3sccn3c2[N+](=O)[O-])cc1 ZINC000159596510 186129396 /nfs/dbraw/zinc/12/93/96/186129396.db2.gz ILSCHOWFBNWCOZ-UHFFFAOYSA-N 1 0 303.347 2.375 10 5 DEBERO CC(C)Nc1nc(NC(C)C)nc(SCC[N+](C)(C)C)n1 ZINC000003153038 180986893 /nfs/dbraw/zinc/98/68/93/180986893.db2.gz ZCTMUBOWGIYFJN-UHFFFAOYSA-N 1 0 313.495 2.311 10 5 DEBERO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181833254 356097099 /nfs/dbraw/zinc/09/70/99/356097099.db2.gz TYOGHLXNQKSTJS-JQWIXIFHSA-N 1 0 314.407 2.235 10 5 DEBERO Cc1c(Br)c(N[C@@H](C)[C@@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000381419135 356671343 /nfs/dbraw/zinc/67/13/43/356671343.db2.gz ADOHNAZOAZNYRP-RQJHMYQMSA-N 1 0 303.160 2.208 10 5 DEBERO C[C@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000194001511 201160548 /nfs/dbraw/zinc/16/05/48/201160548.db2.gz HOKPTKQYZBUSTC-AAEUAGOBSA-N 1 0 322.365 2.418 10 5 DEBERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ncnc(Cl)c1[N+](=O)[O-] ZINC000094442785 193369978 /nfs/dbraw/zinc/36/99/78/193369978.db2.gz CDCPMTZGIKEFIF-VHSXEESVSA-N 1 0 311.773 2.101 10 5 DEBERO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000110792099 194359711 /nfs/dbraw/zinc/35/97/11/194359711.db2.gz CBXDMNROEAJZBV-JTQLQIEISA-N 1 0 311.769 2.368 10 5 DEBERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000061644472 184180156 /nfs/dbraw/zinc/18/01/56/184180156.db2.gz DOWOJYUPTISBTG-LLVKDONJSA-N 1 0 311.769 2.414 10 5 DEBERO C[C@H](C[NH3+])CC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000158971318 197314661 /nfs/dbraw/zinc/31/46/61/197314661.db2.gz VKSDDYAHGBJARM-ZETCQYMHSA-N 1 0 316.155 2.281 10 5 DEBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000158757555 197299143 /nfs/dbraw/zinc/29/91/43/197299143.db2.gz NMCNTOGVCWFBEB-DOMZBBRYSA-N 1 0 320.393 2.123 10 5 DEBERO O=[N+]([O-])c1cc(F)c(Br)cc1N[C@@H]1CC[NH2+]C1 ZINC000158748785 197298100 /nfs/dbraw/zinc/29/81/00/197298100.db2.gz PZTDNWGOOJNOJS-ZCFIWIBFSA-N 1 0 304.119 2.270 10 5 DEBERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000158305964 197260434 /nfs/dbraw/zinc/26/04/34/197260434.db2.gz UOCKHQKWSXXCJP-ZACQAIPSSA-N 1 0 320.389 2.406 10 5 DEBERO Cc1c(Br)c(N[C@@H](C)CC[NH3+])ncc1[N+](=O)[O-] ZINC000310304639 145351619 /nfs/dbraw/zinc/35/16/19/145351619.db2.gz CJIBGPUDRKGFPM-LURJTMIESA-N 1 0 303.160 2.210 10 5 DEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1ccccc1[N+](=O)[O-] ZINC000113268536 401773696 /nfs/dbraw/zinc/77/36/96/401773696.db2.gz RMRDEYIYQIDUHU-UONOGXRCSA-N 1 0 305.378 2.142 10 5 DEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000076479609 401796118 /nfs/dbraw/zinc/79/61/18/401796118.db2.gz BNGYQZKYOJFNEF-TZMCWYRMSA-N 1 0 305.378 2.397 10 5 DEBERO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+](C)C ZINC000089710331 401958571 /nfs/dbraw/zinc/95/85/71/401958571.db2.gz JENFAJGTRVNUHP-TVQRCGJNSA-N 1 0 311.769 2.270 10 5 DEBERO Cc1c([C@H](C)NC[C@H](O)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000151294068 402028064 /nfs/dbraw/zinc/02/80/64/402028064.db2.gz ZBYWUUPYJKXVIN-GJZGRUSLSA-N 1 0 321.421 2.401 10 5 DEBERO CC[NH+](CC)[C@@H](C)CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000122783087 402093957 /nfs/dbraw/zinc/09/39/57/402093957.db2.gz WWGNPEHCGBMTAN-LBPRGKRZSA-N 1 0 307.394 2.292 10 5 DEBERO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000124663610 402190885 /nfs/dbraw/zinc/19/08/85/402190885.db2.gz DGQNCTACVCSXQF-RYUDHWBXSA-N 1 0 321.377 2.158 10 5 DEBERO C[C@@H]1C[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000124016222 402159573 /nfs/dbraw/zinc/15/95/73/402159573.db2.gz UEWPZUDCWSMFKD-HIFRSBDPSA-N 1 0 307.394 2.388 10 5 DEBERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C[C@@H]12 ZINC000185012318 402316630 /nfs/dbraw/zinc/31/66/30/402316630.db2.gz LUSXPPJTEUDJLK-BZHVJNSISA-N 1 0 309.753 2.058 10 5 DEBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000160455715 402346401 /nfs/dbraw/zinc/34/64/01/402346401.db2.gz XMSJNFPVGSANPH-CYBMUJFWSA-N 1 0 305.378 2.445 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000176975653 402355881 /nfs/dbraw/zinc/35/58/81/402355881.db2.gz NMXWAXHDJBJRNP-GFCCVEGCSA-N 1 0 309.341 2.290 10 5 DEBERO CC[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176702171 402329240 /nfs/dbraw/zinc/32/92/40/402329240.db2.gz JTMRHPRVGDOXCQ-GJZGRUSLSA-N 1 0 320.393 2.391 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000177372926 402395459 /nfs/dbraw/zinc/39/54/59/402395459.db2.gz UEZGIWXXDJSLLZ-CQSZACIVSA-N 1 0 320.393 2.221 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237224450 402400571 /nfs/dbraw/zinc/40/05/71/402400571.db2.gz PTAXJLAOPBGZRB-ONXXMXGDSA-N 1 0 303.362 2.258 10 5 DEBERO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000182157377 402668827 /nfs/dbraw/zinc/66/88/27/402668827.db2.gz SZNRTNXDBRJUHJ-CQSZACIVSA-N 1 0 320.324 2.434 10 5 DEBERO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173380138 402695177 /nfs/dbraw/zinc/69/51/77/402695177.db2.gz BLUYYMKKNWTTJE-BBRMVZONSA-N 1 0 307.394 2.356 10 5 DEBERO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCCC2)CC1 ZINC000173474349 402698962 /nfs/dbraw/zinc/69/89/62/402698962.db2.gz XMOLOQYGPKLHMV-UHFFFAOYSA-N 1 0 317.389 2.224 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183161765 402743759 /nfs/dbraw/zinc/74/37/59/402743759.db2.gz WSQWUCWVGVGKPG-DOMZBBRYSA-N 1 0 321.377 2.389 10 5 DEBERO CN(C)c1cc[nH+]cc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000183340963 402758252 /nfs/dbraw/zinc/75/82/52/402758252.db2.gz NZWLZQCDPSQYFC-UHFFFAOYSA-N 1 0 314.345 2.328 10 5 DEBERO Cc1noc(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000192978295 402759305 /nfs/dbraw/zinc/75/93/05/402759305.db2.gz CFBGTAZTPNXDPK-CQSZACIVSA-N 1 0 302.334 2.496 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)C(=O)NCc1ccco1 ZINC000183645895 402784734 /nfs/dbraw/zinc/78/47/34/402784734.db2.gz SEJZOVSCEVQGBJ-GFCCVEGCSA-N 1 0 317.345 2.291 10 5 DEBERO Cc1ccc(N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000301711415 403667746 /nfs/dbraw/zinc/66/77/46/403667746.db2.gz IBVQJDPBINSXFK-GJZGRUSLSA-N 1 0 319.405 2.329 10 5 DEBERO C[C@H]1CC[NH2+]C[C@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000389726426 405039586 /nfs/dbraw/zinc/03/95/86/405039586.db2.gz LLRFEUYDCBYNHS-OIBJUYFYSA-N 1 0 315.171 2.162 10 5 DEBERO C[NH2+]C1(C)CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000133325545 196330221 /nfs/dbraw/zinc/33/02/21/196330221.db2.gz DMLBTPOVRYUYSV-UHFFFAOYSA-N 1 0 311.769 2.462 10 5 DEBERO C[C@@H]1C[NH2+]C[C@@H](COc2ccc([N+](=O)[O-])cc2C(F)F)O1 ZINC000133766017 196335289 /nfs/dbraw/zinc/33/52/89/196335289.db2.gz HEIKCZVQMCNQPA-SCZZXKLOSA-N 1 0 302.277 2.288 10 5 DEBERO O=C(c1cc(F)ccc1[N+](=O)[O-])N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186544683 304498274 /nfs/dbraw/zinc/49/82/74/304498274.db2.gz AAFLSDDKDAEPOB-LLVKDONJSA-N 1 0 307.325 2.091 10 5 DEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(CCO)CC1 ZINC000188063167 533689255 /nfs/dbraw/zinc/68/92/55/533689255.db2.gz IJKLNKVRQYIONX-GFCCVEGCSA-N 1 0 321.377 2.064 10 5 DEBERO COc1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247074330 523728565 /nfs/dbraw/zinc/72/85/65/523728565.db2.gz IZGKVKXMWCHTRR-DGCLKSJQSA-N 1 0 321.377 2.062 10 5 DEBERO CN1CCO[C@@H](CNc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000234356079 624548846 /nfs/dbraw/zinc/54/88/46/624548846.db2.gz VHNJDRVTUROXFW-QMMMGPOBSA-N 1 0 303.721 2.130 10 5 DEBERO CC[C@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000126724875 684156551 /nfs/dbraw/zinc/15/65/51/684156551.db2.gz AWBZNYUGESZDBG-KBPBESRZSA-N 1 0 312.391 2.213 10 5 DEBERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000126785912 684157171 /nfs/dbraw/zinc/15/71/71/684157171.db2.gz SVENLFMIMNWPSY-WCQYABFASA-N 1 0 312.391 2.131 10 5 DEBERO O=[N+]([O-])c1cc(Cl)c(Cl)cc1OC[C@@H]1C[NH2+]CCO1 ZINC000164034740 186146720 /nfs/dbraw/zinc/14/67/20/186146720.db2.gz WNKUORSWERYRSD-ZETCQYMHSA-N 1 0 307.133 2.269 10 5 DEBERO C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CN1CCOCC1 ZINC000173432912 198214223 /nfs/dbraw/zinc/21/42/23/198214223.db2.gz ONONCMFRACQHFP-KBPBESRZSA-N 1 0 307.394 2.214 10 5 DEBERO CCOCC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000183332750 356168314 /nfs/dbraw/zinc/16/83/14/356168314.db2.gz XXUKLYBNDNRNJX-HNNXBMFYSA-N 1 0 321.421 2.446 10 5 DEBERO CN(CC[N@H+](C)C1CC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000186753987 200004052 /nfs/dbraw/zinc/00/40/52/200004052.db2.gz NIRZDCBNXJUQPS-UHFFFAOYSA-N 1 0 316.361 2.242 10 5 DEBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000191685355 200745067 /nfs/dbraw/zinc/74/50/67/200745067.db2.gz ZKLOJCFCHCFGBD-LLVKDONJSA-N 1 0 323.393 2.372 10 5 DEBERO CC(C)[C@@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1Br ZINC000093434388 193250363 /nfs/dbraw/zinc/25/03/63/193250363.db2.gz RXHIPIZXTGHOMM-VIFPVBQESA-N 1 0 303.160 2.148 10 5 DEBERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000040690994 183118644 /nfs/dbraw/zinc/11/86/44/183118644.db2.gz HYADIXPVCSHRNV-NSHDSACASA-N 1 0 311.769 2.462 10 5 DEBERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040690996 183118698 /nfs/dbraw/zinc/11/86/98/183118698.db2.gz KHUMDYFRBNQGJT-JTQLQIEISA-N 1 0 311.769 2.462 10 5 DEBERO C[N@@H+]1CCC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000042371397 183261040 /nfs/dbraw/zinc/26/10/40/183261040.db2.gz SPYARNFNMIPOTC-VIFPVBQESA-N 1 0 315.171 2.258 10 5 DEBERO CCC[NH2+][C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301192 183352441 /nfs/dbraw/zinc/35/24/41/183352441.db2.gz BKMAIQVMUAVFBS-OCCSQVGLSA-N 1 0 312.391 2.070 10 5 DEBERO CC[NH2+][C@@](C)(CCCSc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000045549477 183515136 /nfs/dbraw/zinc/51/51/36/183515136.db2.gz LKGMVOCJDXYYTH-AWEZNQCLSA-N 1 0 311.407 2.321 10 5 DEBERO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105798702 194129920 /nfs/dbraw/zinc/12/99/20/194129920.db2.gz LNXBPRZVTQDAPK-UHFFFAOYSA-N 1 0 313.361 2.097 10 5 DEBERO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000105884129 194156868 /nfs/dbraw/zinc/15/68/68/194156868.db2.gz PIFUCXBLVYZELQ-HNNXBMFYSA-N 1 0 315.377 2.141 10 5 DEBERO C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000063167608 184275614 /nfs/dbraw/zinc/27/56/14/184275614.db2.gz WWLSLFPBKHMHET-LLVKDONJSA-N 1 0 311.769 2.462 10 5 DEBERO CCN(c1cc(Br)c(F)cc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000158767524 197300145 /nfs/dbraw/zinc/30/01/45/197300145.db2.gz YHKGGNKWKCOKCO-UHFFFAOYSA-N 1 0 318.146 2.295 10 5 DEBERO CC[C@@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000120929165 195266758 /nfs/dbraw/zinc/26/67/58/195266758.db2.gz CCDDTLSPXQKJKM-MRXNPFEDSA-N 1 0 321.421 2.446 10 5 DEBERO O=[N+]([O-])c1ccc(Br)cc1C[NH2+]C[C@H]1CCOC1 ZINC000121147376 195299184 /nfs/dbraw/zinc/29/91/84/195299184.db2.gz IQLFJMLCWFTRFA-SECBINFHSA-N 1 0 315.167 2.483 10 5 DEBERO O=[N+]([O-])c1cccnc1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000301746402 296517658 /nfs/dbraw/zinc/51/76/58/296517658.db2.gz PSGUGQNFCDMQOD-CQSZACIVSA-N 1 0 320.393 2.071 10 5 DEBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000247389779 145135915 /nfs/dbraw/zinc/13/59/15/145135915.db2.gz QHAQDQJBXTZXOB-IUODEOHRSA-N 1 0 320.393 2.123 10 5 DEBERO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261646714 145213257 /nfs/dbraw/zinc/21/32/57/145213257.db2.gz FJFXQPPXFNDFFE-WOSRLPQWSA-N 1 0 319.361 2.066 10 5 DEBERO CC1(C)CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000261694649 145218035 /nfs/dbraw/zinc/21/80/35/145218035.db2.gz NRKWVJFCHGJHGO-GFCCVEGCSA-N 1 0 311.769 2.448 10 5 DEBERO COc1ccc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000262509421 145288558 /nfs/dbraw/zinc/28/85/58/145288558.db2.gz MUZVKGQLBNRLCC-ZDUSSCGKSA-N 1 0 307.350 2.320 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000113267084 401773910 /nfs/dbraw/zinc/77/39/10/401773910.db2.gz VGVRVTHVPZLIGO-UKRRQHHQSA-N 1 0 305.378 2.142 10 5 DEBERO C[NH+](C)C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134885893 401918206 /nfs/dbraw/zinc/91/82/06/401918206.db2.gz HKLBVSYZVXYAAT-UHFFFAOYSA-N 1 0 311.769 2.414 10 5 DEBERO Cc1c(C[NH+]2CCC(C(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000051230165 402032519 /nfs/dbraw/zinc/03/25/19/402032519.db2.gz YBITVLPAMQFLBW-UHFFFAOYSA-N 1 0 305.378 2.203 10 5 DEBERO C[NH+]1CCC2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000096088695 402057918 /nfs/dbraw/zinc/05/79/18/402057918.db2.gz OFDAAWOYZWKZIP-UHFFFAOYSA-N 1 0 303.362 2.153 10 5 DEBERO C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000124829325 402199515 /nfs/dbraw/zinc/19/95/15/402199515.db2.gz ATXSCKTXQPEZSZ-IUODEOHRSA-N 1 0 305.378 2.078 10 5 DEBERO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000067548565 402162700 /nfs/dbraw/zinc/16/27/00/402162700.db2.gz SVBBBZJQALDXRM-GFCCVEGCSA-N 1 0 321.377 2.208 10 5 DEBERO C[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000108333353 402250245 /nfs/dbraw/zinc/25/02/45/402250245.db2.gz QBEUXLCDHHIMTQ-LLVKDONJSA-N 1 0 316.361 2.148 10 5 DEBERO O=[N+]([O-])c1cncc(Br)c1NC[C@H]1CCCC[NH2+]1 ZINC000232479239 402357710 /nfs/dbraw/zinc/35/77/10/402357710.db2.gz LPVVEMYPXZMZNY-MRVPVSSYSA-N 1 0 315.171 2.306 10 5 DEBERO O=[N+]([O-])c1ccc2oc(CN3CC[N@@H+]4CCC[C@@H]4C3)nc2c1 ZINC000177059552 402365365 /nfs/dbraw/zinc/36/53/65/402365365.db2.gz ZFJFPQCAYSBELG-GFCCVEGCSA-N 1 0 302.334 2.016 10 5 DEBERO Cc1ccc(C[NH+]2CCC(C(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000162593797 402425772 /nfs/dbraw/zinc/42/57/72/402425772.db2.gz MUTRHTOYHRXDGE-UHFFFAOYSA-N 1 0 305.378 2.203 10 5 DEBERO C[C@H]1CC[C@@](CO)([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000187983066 402514438 /nfs/dbraw/zinc/51/44/38/402514438.db2.gz LFAGCWIEMLJHLY-XJKSGUPXSA-N 1 0 308.378 2.457 10 5 DEBERO Cc1sc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247421880 402566648 /nfs/dbraw/zinc/56/66/48/402566648.db2.gz OBBVLSYXXVWEIA-KOLCDFICSA-N 1 0 311.407 2.377 10 5 DEBERO [NH3+]CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000261691355 402716100 /nfs/dbraw/zinc/71/61/00/402716100.db2.gz IIYDVVHKUXXYJF-UHFFFAOYSA-N 1 0 319.386 2.300 10 5 DEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000173214590 402688225 /nfs/dbraw/zinc/68/82/25/402688225.db2.gz LIVRNYWKMMMLMQ-CJNGLKHVSA-N 1 0 319.405 2.326 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000174970193 402768196 /nfs/dbraw/zinc/76/81/96/402768196.db2.gz BJYLLZKYDPQCFV-GDBMZVCRSA-N 1 0 317.389 2.223 10 5 DEBERO [NH3+][C@@H]1CCC[C@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]21 ZINC000262323871 402724438 /nfs/dbraw/zinc/72/44/38/402724438.db2.gz RLOVKJVZGZPJND-MVWJERBFSA-N 1 0 301.350 2.035 10 5 DEBERO Cn1cc([C@H](CNc2ccc(F)cc2[N+](=O)[O-])[NH+](C)C)cn1 ZINC000301268125 403608620 /nfs/dbraw/zinc/60/86/20/403608620.db2.gz GANVALDIUXIIHF-AWEZNQCLSA-N 1 0 307.329 2.182 10 5 DEBERO Cc1c(NC(=O)CC[N@H+]2CCOCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000367740290 405139694 /nfs/dbraw/zinc/13/96/94/405139694.db2.gz KOFRVZVJQDIQLT-GFCCVEGCSA-N 1 0 321.377 2.343 10 5 DEBERO C[NH2+][C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000129068534 196016681 /nfs/dbraw/zinc/01/66/81/196016681.db2.gz DOYBIHJPCDWZJD-JTQLQIEISA-N 1 0 314.183 2.151 10 5 DEBERO Cc1c(CC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000129752047 196072756 /nfs/dbraw/zinc/07/27/56/196072756.db2.gz HTUNBQRWIVSJGS-WFASDCNBSA-N 1 0 319.405 2.291 10 5 DEBERO CC(C)Cn1ccnc1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000131170852 196146679 /nfs/dbraw/zinc/14/66/79/196146679.db2.gz MMMVSAFLWLYVQW-UHFFFAOYSA-N 1 0 302.334 2.377 10 5 DEBERO C[C@H]1C[C@H]([NH3+])CCN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000132035294 196220331 /nfs/dbraw/zinc/22/03/31/196220331.db2.gz NWGCCTMVBZGMHT-IONNQARKSA-N 1 0 315.171 2.068 10 5 DEBERO CC[C@H](C)[C@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH2+]C ZINC000132786070 196283003 /nfs/dbraw/zinc/28/30/03/196283003.db2.gz QPHZBVOTCHYTCF-GWCFXTLKSA-N 1 0 300.380 2.003 10 5 DEBERO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000134078878 196359406 /nfs/dbraw/zinc/35/94/06/196359406.db2.gz ZHEFSVTUEITSGM-RNFRBKRXSA-N 1 0 316.155 2.279 10 5 DEBERO COC(=O)c1cc(N(C)CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000301159609 533849447 /nfs/dbraw/zinc/84/94/47/533849447.db2.gz BEYFGXDHJSOUDL-UHFFFAOYSA-N 1 0 321.377 2.159 10 5 DEBERO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000247516999 525447699 /nfs/dbraw/zinc/44/76/99/525447699.db2.gz YVCMWBZVPUEPPU-BXUZGUMPSA-N 1 0 321.377 2.062 10 5 DEBERO COCC[N@@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000255620367 536872984 /nfs/dbraw/zinc/87/29/84/536872984.db2.gz FOZOEXOUWLFVTK-ZQMJAJRESA-N 1 0 319.405 2.261 10 5 DEBERO [NH3+]C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CCO1 ZINC000236186228 625099144 /nfs/dbraw/zinc/09/91/44/625099144.db2.gz DTHPXUIJVTULEF-QMMMGPOBSA-N 1 0 306.149 2.066 10 5 DEBERO C[C@H]1[C@@H]([NH3+])CCN1c1cc(Br)ccc1[N+](=O)[O-] ZINC000261548562 635892752 /nfs/dbraw/zinc/89/27/52/635892752.db2.gz JQWLHJZRGQDZDV-CBAPKCEASA-N 1 0 300.156 2.283 10 5 DEBERO C/C(=C\C(=O)NCC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000751870359 639129549 /nfs/dbraw/zinc/12/95/49/639129549.db2.gz DBHJKJAFFVZDJJ-ACCUITESSA-N 1 0 317.389 2.456 10 5 DEBERO COc1ccc(Br)cc1C[N+]12CCN(CC1)CC2 ZINC000122929539 717150718 /nfs/dbraw/zinc/15/07/18/717150718.db2.gz UALNKNCJUBLSCD-UHFFFAOYSA-N 1 0 312.231 2.104 10 5 DEBERO CC[NH2+][C@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000081942335 192343982 /nfs/dbraw/zinc/34/39/82/192343982.db2.gz OKYNAZDWBDFKQR-CYBMUJFWSA-N 1 0 314.407 2.393 10 5 DEBERO CCC[C@H]([NH3+])[C@H](CC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942866 192344347 /nfs/dbraw/zinc/34/43/47/192344347.db2.gz BNKJMXOEKJVZRP-JQWIXIFHSA-N 1 0 300.380 2.275 10 5 DEBERO O=[N+]([O-])c1ccc(Br)cc1OC[C@H]1CC[NH2+]C1 ZINC000087835312 185233172 /nfs/dbraw/zinc/23/31/72/185233172.db2.gz ZFIPRTXJZYRJNP-QMMMGPOBSA-N 1 0 301.140 2.346 10 5 DEBERO COc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000090537835 185301705 /nfs/dbraw/zinc/30/17/05/185301705.db2.gz QAMJLURQDSKBNW-NSHDSACASA-N 1 0 320.349 2.159 10 5 DEBERO C[C@@H]1CC[C@H](C[NH3+])CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000070180740 190868555 /nfs/dbraw/zinc/86/85/55/190868555.db2.gz FEQWPJQACNEDON-NXEZZACHSA-N 1 0 311.769 2.448 10 5 DEBERO CC(C)C[NH2+]CCCS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000083984801 192394671 /nfs/dbraw/zinc/39/46/71/192394671.db2.gz WQKXLCPYLNEIBH-UHFFFAOYSA-N 1 0 300.380 2.004 10 5 DEBERO O=C(NCCCc1ncc[nH]1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000139451021 186022507 /nfs/dbraw/zinc/02/25/07/186022507.db2.gz PNUHZIWPMLBNHE-UHFFFAOYSA-N 1 0 308.725 2.334 10 5 DEBERO C[C@H]1C[C@@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000173216080 198196850 /nfs/dbraw/zinc/19/68/50/198196850.db2.gz KDRAGWUTIBYYMK-JSGCOSHPSA-N 1 0 305.378 2.078 10 5 DEBERO CCc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000174199621 198304279 /nfs/dbraw/zinc/30/42/79/198304279.db2.gz PNVURDQNMUKMAB-AWEZNQCLSA-N 1 0 303.362 2.077 10 5 DEBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCn1ccnn1)C1CC1 ZINC000184264119 356189275 /nfs/dbraw/zinc/18/92/75/356189275.db2.gz QLRBWHZSSKOMAA-HNNXBMFYSA-N 1 0 315.377 2.187 10 5 DEBERO C[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000600961056 359873069 /nfs/dbraw/zinc/87/30/69/359873069.db2.gz KVTGYBFIGGZZKW-IUCAKERBSA-N 1 0 314.183 2.388 10 5 DEBERO O=[N+]([O-])c1ccc(C[NH2+]CC2CC(O)C2)c(Br)c1 ZINC000091538360 193071009 /nfs/dbraw/zinc/07/10/09/193071009.db2.gz KWZVYBFVVHKTFM-UHFFFAOYSA-N 1 0 315.167 2.218 10 5 DEBERO [NH3+][C@H]1CC[C@@H](Oc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093434604 193251314 /nfs/dbraw/zinc/25/13/14/193251314.db2.gz XLWFYQRUPYLERV-POYBYMJQSA-N 1 0 302.128 2.011 10 5 DEBERO C[NH2+][C@H]1CCC[C@@H]1CCS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000093623464 193275414 /nfs/dbraw/zinc/27/54/14/193275414.db2.gz OKTARZBRMQONCT-NEPJUHHUSA-N 1 0 312.391 2.147 10 5 DEBERO COC(=O)[C@@]1([NH3+])CC[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000093834470 193314615 /nfs/dbraw/zinc/31/46/15/193314615.db2.gz BULJXRPPKPSQFU-NOZJJQNGSA-N 1 0 314.725 2.050 10 5 DEBERO C[NH2+][C@H]1[C@@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1(C)C ZINC000094311249 193358330 /nfs/dbraw/zinc/35/83/30/193358330.db2.gz MHQCHFSZXTUJBI-STQMWFEESA-N 1 0 312.391 2.145 10 5 DEBERO CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000019983890 182173677 /nfs/dbraw/zinc/17/36/77/182173677.db2.gz CIFBJXDIMAPZJQ-UHFFFAOYSA-N 1 0 311.769 2.414 10 5 DEBERO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916635 182936724 /nfs/dbraw/zinc/93/67/24/182936724.db2.gz QBKNSBUGQUCICB-JQWIXIFHSA-N 1 0 309.391 2.261 10 5 DEBERO C[N@@H+]1CCC[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000042371398 183260740 /nfs/dbraw/zinc/26/07/40/183260740.db2.gz SPYARNFNMIPOTC-SECBINFHSA-N 1 0 315.171 2.258 10 5 DEBERO C[NH2+][C@](C)(CCCCSc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000045549742 183514669 /nfs/dbraw/zinc/51/46/69/183514669.db2.gz SILLZUGDMUHFGL-CQSZACIVSA-N 1 0 311.407 2.321 10 5 DEBERO C[C@@H]1C[N@H+](C)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000159768479 197362433 /nfs/dbraw/zinc/36/24/33/197362433.db2.gz VULAKPJYWAGISA-SKDRFNHKSA-N 1 0 311.769 2.318 10 5 DEBERO O=[N+]([O-])c1ccccc1-c1csc(CN2CC[NH2+]CC2)n1 ZINC000109432433 194263044 /nfs/dbraw/zinc/26/30/44/194263044.db2.gz JCNOIHRYSHAIMF-UHFFFAOYSA-N 1 0 304.375 2.124 10 5 DEBERO C[NH2+]C[C@H](C)OCc1ccc([N+](=O)[O-])cc1Br ZINC000051842750 183838684 /nfs/dbraw/zinc/83/86/84/183838684.db2.gz XYOFVCFTTVJRRJ-QMMMGPOBSA-N 1 0 303.156 2.482 10 5 DEBERO [NH3+]Cc1ccccc1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000061841457 184189742 /nfs/dbraw/zinc/18/97/42/184189742.db2.gz IRFRDZVSJOLXNO-UHFFFAOYSA-N 1 0 303.347 2.375 10 5 DEBERO C[NH2+][C@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000116942525 194786984 /nfs/dbraw/zinc/78/69/84/194786984.db2.gz AFEDZSKQDJKGAG-QMMMGPOBSA-N 1 0 300.156 2.155 10 5 DEBERO C[NH2+]C[C@H](C)Oc1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000158808998 197302518 /nfs/dbraw/zinc/30/25/18/197302518.db2.gz OFWNXKXHKCNXBH-LURJTMIESA-N 1 0 307.119 2.483 10 5 DEBERO Cc1cc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000193724620 145089658 /nfs/dbraw/zinc/08/96/58/145089658.db2.gz JCFCTQLHTHDSGO-CYBMUJFWSA-N 1 0 304.350 2.215 10 5 DEBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000248574217 145159426 /nfs/dbraw/zinc/15/94/26/145159426.db2.gz GWOXEPFQMPOEDG-TYNCELHUSA-N 1 0 321.377 2.387 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000252443891 145198947 /nfs/dbraw/zinc/19/89/47/145198947.db2.gz QITVYANZKZDNJV-RISCZKNCSA-N 1 0 304.350 2.295 10 5 DEBERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255397005 145204906 /nfs/dbraw/zinc/20/49/06/145204906.db2.gz CQUNVCSPUQRJOQ-LJXYTEIVSA-N 1 0 303.362 2.194 10 5 DEBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000261876632 145237385 /nfs/dbraw/zinc/23/73/85/145237385.db2.gz ORCLFBRISAFHGN-BTOWRCTQSA-N 1 0 321.352 2.370 10 5 DEBERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000112982474 401763473 /nfs/dbraw/zinc/76/34/73/401763473.db2.gz ZILGXVDQOWWETH-MRXNPFEDSA-N 1 0 319.405 2.470 10 5 DEBERO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000089710348 401958595 /nfs/dbraw/zinc/95/85/95/401958595.db2.gz ORCNNRBEEHXDEQ-RNCFNFMXSA-N 1 0 311.769 2.270 10 5 DEBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000068222963 402187930 /nfs/dbraw/zinc/18/79/30/402187930.db2.gz SSDHBHOXRRRXIR-AWEZNQCLSA-N 1 0 307.394 2.230 10 5 DEBERO CC(C)[N@H+](C)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000101953104 402158945 /nfs/dbraw/zinc/15/89/45/402158945.db2.gz BAARAMJORRZXEB-UHFFFAOYSA-N 1 0 304.350 2.146 10 5 DEBERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070070014 402256546 /nfs/dbraw/zinc/25/65/46/402256546.db2.gz UZARJFLDKPJTHD-SNVBAGLBSA-N 1 0 311.769 2.272 10 5 DEBERO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000176741646 402332930 /nfs/dbraw/zinc/33/29/30/402332930.db2.gz ORSSLKIRCAVKKK-JSGCOSHPSA-N 1 0 320.393 2.310 10 5 DEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247429654 402566652 /nfs/dbraw/zinc/56/66/52/402566652.db2.gz OOILRQSSAGRLGB-WFASDCNBSA-N 1 0 305.378 2.397 10 5 DEBERO Cc1c(CC(=O)N2CCC[N@@H+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000178650895 402521790 /nfs/dbraw/zinc/52/17/90/402521790.db2.gz DCUAQTHOBRZSGF-UHFFFAOYSA-N 1 0 317.389 2.142 10 5 DEBERO CO[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000189270360 402533199 /nfs/dbraw/zinc/53/31/99/402533199.db2.gz JJOMLYWIHKUOQQ-WFASDCNBSA-N 1 0 321.377 2.280 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000246509202 402534814 /nfs/dbraw/zinc/53/48/14/402534814.db2.gz GIZYSCXWYHWHFV-OLZOCXBDSA-N 1 0 303.362 2.294 10 5 DEBERO C[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248460446 402592086 /nfs/dbraw/zinc/59/20/86/402592086.db2.gz OIFLBULXTMATOX-MGPQQGTHSA-N 1 0 308.378 2.455 10 5 DEBERO COc1ccc(OCC[NH+]2[C@@H](C)CC(O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000191166135 402646984 /nfs/dbraw/zinc/64/69/84/402646984.db2.gz QOQBIRLXQDBKJY-RYUDHWBXSA-N 1 0 324.377 2.216 10 5 DEBERO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000191169457 402647572 /nfs/dbraw/zinc/64/75/72/402647572.db2.gz CVUMVJYMRITGSG-SNPRPXQTSA-N 1 0 304.346 2.368 10 5 DEBERO CCn1cc([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CCO2)cn1 ZINC000191717440 402688047 /nfs/dbraw/zinc/68/80/47/402688047.db2.gz MDYRKNRWYHUPPG-MRXNPFEDSA-N 1 0 316.361 2.385 10 5 DEBERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000183179584 402745134 /nfs/dbraw/zinc/74/51/34/402745134.db2.gz DHKKYEKYNSVKOL-MJVIPROJSA-N 1 0 307.350 2.079 10 5 DEBERO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000183204798 402746649 /nfs/dbraw/zinc/74/66/49/402746649.db2.gz XUQBDYMWFJZTNM-BXUZGUMPSA-N 1 0 307.350 2.081 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2nncn2C)CC1 ZINC000183284083 402752902 /nfs/dbraw/zinc/75/29/02/402752902.db2.gz CIKLRFOZNXGHFO-UHFFFAOYSA-N 1 0 315.377 2.411 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000183370474 402760873 /nfs/dbraw/zinc/76/08/73/402760873.db2.gz RKIHTDINHAVWFQ-OAHLLOKOSA-N 1 0 319.405 2.057 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000183397475 402763256 /nfs/dbraw/zinc/76/32/56/402763256.db2.gz JTAUBCNRUBQHGU-CQSZACIVSA-N 1 0 315.377 2.407 10 5 DEBERO Cn1cc([C@@H](CNc2ccc([N+](=O)[O-])cc2F)[NH+](C)C)cn1 ZINC000301283090 403610270 /nfs/dbraw/zinc/61/02/70/403610270.db2.gz LKCUTTFJMSWPQM-CQSZACIVSA-N 1 0 307.329 2.182 10 5 DEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCn1ccnn1 ZINC000344827298 404390903 /nfs/dbraw/zinc/39/09/03/404390903.db2.gz ZSHKYFAQMLVTJN-JLHYYAGUSA-N 1 0 301.350 2.270 10 5 DEBERO COC1([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000453117462 405285385 /nfs/dbraw/zinc/28/53/85/405285385.db2.gz KIMORMMUYACVHC-CYBMUJFWSA-N 1 0 308.378 2.311 10 5 DEBERO C[C@@H]1C[NH2+]C[C@@H](COCc2cc(Cl)ccc2[N+](=O)[O-])O1 ZINC000132815708 196286187 /nfs/dbraw/zinc/28/61/87/196286187.db2.gz RWDLTZYVFGQZHB-SKDRFNHKSA-N 1 0 300.742 2.142 10 5 DEBERO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000134243748 196373310 /nfs/dbraw/zinc/37/33/10/196373310.db2.gz QGPAEGNAIKRVDE-UHFFFAOYSA-N 1 0 315.333 2.166 10 5 DEBERO C[C@H]1C[N@H+](C)CC[C@@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000134354709 196381011 /nfs/dbraw/zinc/38/10/11/196381011.db2.gz DYFYUEXPJBEXMR-CABZTGNLSA-N 1 0 311.769 2.318 10 5 DEBERO CCN1CCO[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000134434313 196390983 /nfs/dbraw/zinc/39/09/83/196390983.db2.gz OJZMOUSIMDUVAV-CYBMUJFWSA-N 1 0 313.785 2.059 10 5 DEBERO COc1cc(N2CCC[N@@H+](C3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000176956851 274096194 /nfs/dbraw/zinc/09/61/94/274096194.db2.gz AYZRIQLJEGIBCP-UHFFFAOYSA-N 1 0 309.341 2.417 10 5 DEBERO C[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000235622183 279707197 /nfs/dbraw/zinc/70/71/97/279707197.db2.gz OKRFGNZVXDLKFP-TVQRCGJNSA-N 1 0 311.769 2.448 10 5 DEBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000179538173 280397910 /nfs/dbraw/zinc/39/79/10/280397910.db2.gz XRLVDZGADWNSJW-ZDUSSCGKSA-N 1 0 305.378 2.296 10 5 DEBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)CCC[NH+](C)C ZINC000576538600 326301120 /nfs/dbraw/zinc/30/11/20/326301120.db2.gz UMQYHLXNPIOXNN-UHFFFAOYSA-N 1 0 309.366 2.078 10 5 DEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076485578 500689499 /nfs/dbraw/zinc/68/94/99/500689499.db2.gz MROHWAASEBYMNE-DOMZBBRYSA-N 1 0 305.378 2.397 10 5 DEBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000249430460 526085554 /nfs/dbraw/zinc/08/55/54/526085554.db2.gz YYLDSJVZZRBHGY-ZIAGYGMSSA-N 1 0 321.421 2.433 10 5 DEBERO CC(C)C[N@@H+]1CC[C@@H](CNc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302060950 528021940 /nfs/dbraw/zinc/02/19/40/528021940.db2.gz SAZOYMHAYKWCJA-AWEZNQCLSA-N 1 0 307.394 2.477 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000175357611 535590212 /nfs/dbraw/zinc/59/02/12/535590212.db2.gz VPDBCWIPPATCKA-HNNXBMFYSA-N 1 0 307.394 2.390 10 5 DEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000246856033 536168161 /nfs/dbraw/zinc/16/81/61/536168161.db2.gz CUKMBIUXNLRLMS-STQMWFEESA-N 1 0 321.352 2.433 10 5 DEBERO CC(=O)c1ccc(N(C)[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000733190561 649449180 /nfs/dbraw/zinc/44/91/80/649449180.db2.gz GYVNJCGFVRLCAH-AWEZNQCLSA-N 1 0 303.362 2.470 10 5 DEBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000588446241 777202422 /nfs/dbraw/zinc/20/24/22/777202422.db2.gz FIHYBEXKBKFARD-BENRWUELSA-N 1 0 303.362 2.209 10 5 DEBERO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH2+]CC12CCCCC2 ZINC000088395875 185248550 /nfs/dbraw/zinc/24/85/50/185248550.db2.gz MLCCGPXOXJTAPU-UHFFFAOYSA-N 1 0 309.391 2.405 10 5 DEBERO C[NH2+]Cc1cn(-c2c(Cl)cc(Cl)cc2[N+](=O)[O-])nn1 ZINC000090300025 185289998 /nfs/dbraw/zinc/28/99/98/185289998.db2.gz FFQFZPSTMXPIFW-UHFFFAOYSA-N 1 0 302.121 2.202 10 5 DEBERO C[NH+](C)C[C@H]1CSCCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000090699879 185310546 /nfs/dbraw/zinc/31/05/46/185310546.db2.gz HFJBPHDIIHSQLZ-LBPRGKRZSA-N 1 0 323.418 2.104 10 5 DEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1CS(=O)(=O)C1 ZINC000615728138 362693937 /nfs/dbraw/zinc/69/39/37/362693937.db2.gz CZAFBSWAHUQALI-GHXNOFRVSA-N 1 0 324.402 2.022 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000183330605 199576097 /nfs/dbraw/zinc/57/60/97/199576097.db2.gz YDWSQANARPXCAD-HNNXBMFYSA-N 1 0 301.350 2.332 10 5 DEBERO C[NH2+]CCCN(C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000127109191 185917871 /nfs/dbraw/zinc/91/78/71/185917871.db2.gz PFFLKLJBRYVPOA-UHFFFAOYSA-N 1 0 302.172 2.403 10 5 DEBERO CCOc1ccc([C@H](C)[NH2+]CCCn2ccnn2)cc1[N+](=O)[O-] ZINC000184272106 356189561 /nfs/dbraw/zinc/18/95/61/356189561.db2.gz HJWIVRDBCOFUDO-LBPRGKRZSA-N 1 0 319.365 2.326 10 5 DEBERO [NH3+]C1(COc2ncc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000080838450 192194816 /nfs/dbraw/zinc/19/48/16/192194816.db2.gz AXZNMOYPJDCEIG-UHFFFAOYSA-N 1 0 316.155 2.403 10 5 DEBERO C[NH2+]CCOCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000600951500 359869195 /nfs/dbraw/zinc/86/91/95/359869195.db2.gz LAMUGWSMNIULDV-UHFFFAOYSA-N 1 0 318.171 2.005 10 5 DEBERO [NH3+]C[C@H]1CN(c2ncc([N+](=O)[O-])s2)CC[C@@H]1C(F)(F)F ZINC000600952608 359870053 /nfs/dbraw/zinc/87/00/53/359870053.db2.gz QEIZOWAZQRRAFN-BQBZGAKWSA-N 1 0 310.301 2.015 10 5 DEBERO C[C@@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C[NH2+]1 ZINC000600954418 359870146 /nfs/dbraw/zinc/87/01/46/359870146.db2.gz BBUSNSUHVRTIFJ-HTQZYQBOSA-N 1 0 315.171 2.305 10 5 DEBERO O=C(C[C@H]1CSCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000091134866 193000963 /nfs/dbraw/zinc/00/09/63/193000963.db2.gz VFDNYXYZMZABCB-QMMMGPOBSA-N 1 0 315.782 2.282 10 5 DEBERO O=C(C[C@H]1CSCC[NH2+]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000091134868 193002027 /nfs/dbraw/zinc/00/20/27/193002027.db2.gz XJHNMLZWVNUSFM-VIFPVBQESA-N 1 0 315.782 2.282 10 5 DEBERO CC[NH+](CC)CC1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000450253428 241605094 /nfs/dbraw/zinc/60/50/94/241605094.db2.gz OCHUUZZZFWIRCW-UHFFFAOYSA-N 1 0 307.398 2.251 10 5 DEBERO CC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545426 243100929 /nfs/dbraw/zinc/10/09/29/243100929.db2.gz HGQMCZDUTFSAGC-ZBFHGGJFSA-N 1 0 306.362 2.114 10 5 DEBERO CN(CC1CC[NH2+]CC1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000094022038 193339221 /nfs/dbraw/zinc/33/92/21/193339221.db2.gz PKFFSJCYGOBGKL-UHFFFAOYSA-N 1 0 311.769 2.320 10 5 DEBERO C[NH2+]Cc1ccn(-c2ccc(Br)c([N+](=O)[O-])c2)n1 ZINC000094189027 193347902 /nfs/dbraw/zinc/34/79/02/193347902.db2.gz IQEKSPVEVJYOEM-UHFFFAOYSA-N 1 0 311.139 2.262 10 5 DEBERO Cc1c(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cccc1[N+](=O)[O-] ZINC000105884138 194158009 /nfs/dbraw/zinc/15/80/09/194158009.db2.gz YVBGXUIBSGMMCR-AWEZNQCLSA-N 1 0 315.377 2.407 10 5 DEBERO CC[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000106113774 194187037 /nfs/dbraw/zinc/18/70/37/194187037.db2.gz FUJXBBAYULWUPO-CYBMUJFWSA-N 1 0 313.423 2.199 10 5 DEBERO C[NH+](C)C[C@H]1CCCN1C(=S)Nc1ccccc1[N+](=O)[O-] ZINC000109670986 194278399 /nfs/dbraw/zinc/27/83/99/194278399.db2.gz KBMGRITUCJGGSU-LLVKDONJSA-N 1 0 308.407 2.318 10 5 DEBERO C[NH+](C)C[C@@H]1CCCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000109670888 194278954 /nfs/dbraw/zinc/27/89/54/194278954.db2.gz ZAKGRQVYZMQABG-ZDUSSCGKSA-N 1 0 308.407 2.318 10 5 DEBERO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000262558308 285170901 /nfs/dbraw/zinc/17/09/01/285170901.db2.gz USAQKJPGOYDKET-BDAKNGLRSA-N 1 0 316.283 2.054 10 5 DEBERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000155517356 197063093 /nfs/dbraw/zinc/06/30/93/197063093.db2.gz GTYIKTYDERBNJT-HZMBPMFUSA-N 1 0 309.341 2.192 10 5 DEBERO Cc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155335986 197045570 /nfs/dbraw/zinc/04/55/70/197045570.db2.gz SSMZUBHSLIOOHH-JSGCOSHPSA-N 1 0 305.378 2.362 10 5 DEBERO CCN(CC[NH3+])c1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000122834239 195507608 /nfs/dbraw/zinc/50/76/08/195507608.db2.gz JYCXKJKCTOSEEN-UHFFFAOYSA-N 1 0 306.135 2.281 10 5 DEBERO C[NH+](C)CC1CCC(NC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183573770 144930321 /nfs/dbraw/zinc/93/03/21/144930321.db2.gz JPLCKHYEIZKHQM-UHFFFAOYSA-N 1 0 321.381 2.232 10 5 DEBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000261697722 145217574 /nfs/dbraw/zinc/21/75/74/145217574.db2.gz SQYUIDWEMUZKET-HMKSTLMESA-N 1 0 309.391 2.292 10 5 DEBERO CC1(C)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000261731624 145221415 /nfs/dbraw/zinc/22/14/15/145221415.db2.gz RESHGYWTNXAJSV-GFCCVEGCSA-N 1 0 311.769 2.448 10 5 DEBERO C[C@H]1C[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]1 ZINC000262310429 145276012 /nfs/dbraw/zinc/27/60/12/145276012.db2.gz BJRDWAVLJMDZPL-STQMWFEESA-N 1 0 317.389 2.474 10 5 DEBERO CC1(C)CCC[NH2+][C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000262425963 145283539 /nfs/dbraw/zinc/28/35/39/145283539.db2.gz FKGLNCXGQWUTHP-CYBMUJFWSA-N 1 0 306.366 2.495 10 5 DEBERO C[C@H]1CCOCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000374296320 148227470 /nfs/dbraw/zinc/22/74/70/148227470.db2.gz WVRGFHIJKDRECF-LBPRGKRZSA-N 1 0 307.350 2.034 10 5 DEBERO C[C@H](O)C1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000111287927 401708460 /nfs/dbraw/zinc/70/84/60/401708460.db2.gz KTOFJSVBZYMHNM-LBPRGKRZSA-N 1 0 321.377 2.016 10 5 DEBERO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000037989902 401919735 /nfs/dbraw/zinc/91/97/35/401919735.db2.gz YJWZCIRMMHKXLT-NSHDSACASA-N 1 0 309.753 2.168 10 5 DEBERO O=[N+]([O-])c1ccc2nc(OCCC3CC[NH2+]CC3)cnc2c1 ZINC000095092012 402025756 /nfs/dbraw/zinc/02/57/56/402025756.db2.gz UCGGZQTYEGJSEK-UHFFFAOYSA-N 1 0 302.334 2.307 10 5 DEBERO C[C@@H]1C[C@H](N(C)C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000153030720 402123019 /nfs/dbraw/zinc/12/30/19/402123019.db2.gz XERHRVQSGCZCOJ-UKRRQHHQSA-N 1 0 319.405 2.469 10 5 DEBERO C[C@H]1C[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])CCN1C ZINC000123356450 402123253 /nfs/dbraw/zinc/12/32/53/402123253.db2.gz MLCXINTVJOKMAM-KBPBESRZSA-N 1 0 307.394 2.388 10 5 DEBERO C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[N@H+](C)C1CC1 ZINC000068196107 402186760 /nfs/dbraw/zinc/18/67/60/402186760.db2.gz ULRIIURASGWBTA-JTQLQIEISA-N 1 0 316.361 2.289 10 5 DEBERO CC[N@@H+]1CC[C@H](CNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000185425110 402351038 /nfs/dbraw/zinc/35/10/38/402351038.db2.gz MGZHPVNGRHRYIX-NRMKIYEFSA-N 1 0 317.389 2.456 10 5 DEBERO Cc1sc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177043838 402363202 /nfs/dbraw/zinc/36/32/02/402363202.db2.gz YWBOALGYCWDVCA-SCZZXKLOSA-N 1 0 309.391 2.320 10 5 DEBERO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186519122 402438369 /nfs/dbraw/zinc/43/83/69/402438369.db2.gz HOWWBPCKVMIBDR-VIIAAUOXSA-N 1 0 315.373 2.351 10 5 DEBERO CCO[C@@H]1C[C@](CO)([NH2+]Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000186580229 402444068 /nfs/dbraw/zinc/44/40/68/402444068.db2.gz XBMAMFGQZOVWPX-BXUZGUMPSA-N 1 0 314.407 2.312 10 5 DEBERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000178223461 402473035 /nfs/dbraw/zinc/47/30/35/402473035.db2.gz KUGQRLPDHSHQMQ-YPMHNXCESA-N 1 0 315.377 2.414 10 5 DEBERO Cc1ccc(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245760889 402486113 /nfs/dbraw/zinc/48/61/13/402486113.db2.gz PRQQNWWEZBAIKB-YOEHRIQHSA-N 1 0 319.405 2.056 10 5 DEBERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C[C@H]12 ZINC000248615191 402598850 /nfs/dbraw/zinc/59/88/50/402598850.db2.gz LUSXPPJTEUDJLK-AQUOVQTQSA-N 1 0 309.753 2.058 10 5 DEBERO CC[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000181552472 402649918 /nfs/dbraw/zinc/64/99/18/402649918.db2.gz RDEKZOAYQIAVIU-RISCZKNCSA-N 1 0 314.407 2.316 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000183370495 402761031 /nfs/dbraw/zinc/76/10/31/402761031.db2.gz RKIHTDINHAVWFQ-HNNXBMFYSA-N 1 0 319.405 2.057 10 5 DEBERO Cc1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000301447484 403630250 /nfs/dbraw/zinc/63/02/50/403630250.db2.gz RTFKCNQUSBCDLV-MJBXVCDLSA-N 1 0 302.378 2.219 10 5 DEBERO C[C@@H]1C[NH2+]C[C@H](COCc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000132710629 196277262 /nfs/dbraw/zinc/27/72/62/196277262.db2.gz ZAEWPTLXKRRLNO-BXKDBHETSA-N 1 0 300.742 2.142 10 5 DEBERO CC[C@H]([NH3+])CC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000135575127 196489548 /nfs/dbraw/zinc/48/95/48/196489548.db2.gz HOUKCNJTHXRRJJ-ZETCQYMHSA-N 1 0 316.155 2.423 10 5 DEBERO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000299391793 229094266 /nfs/dbraw/zinc/09/42/66/229094266.db2.gz GITFUYTWVWBTGH-ZDUSSCGKSA-N 1 0 315.329 2.261 10 5 DEBERO C[NH2+][C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2Br)C1 ZINC000234479084 273974991 /nfs/dbraw/zinc/97/49/91/273974991.db2.gz BQXQYSQWHBPCDI-VIFPVBQESA-N 1 0 314.183 2.464 10 5 DEBERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116277232 278380817 /nfs/dbraw/zinc/38/08/17/278380817.db2.gz AAKYOBVWZPQJDB-ONGXEEELSA-N 1 0 311.769 2.334 10 5 DEBERO COc1ccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1OC ZINC000180834061 295207725 /nfs/dbraw/zinc/20/77/25/295207725.db2.gz YODVRMCVROAFFE-LLVKDONJSA-N 1 0 320.349 2.159 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000177158263 625864450 /nfs/dbraw/zinc/86/44/50/625864450.db2.gz CBKYQYOCKZVVLS-HNNXBMFYSA-N 1 0 317.393 2.318 10 5 DEBERO C[C@@H]1C[C@@H](N(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000154404576 648003473 /nfs/dbraw/zinc/00/34/73/648003473.db2.gz XYWVZIWRVQZZHJ-INWMFGNUSA-N 1 0 307.394 2.043 10 5 DEBERO CC[N@@H+]1CC[C@@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000712536421 792199650 /nfs/dbraw/zinc/19/96/50/792199650.db2.gz SEKDMOVVUIVTDO-SECBINFHSA-N 1 0 315.171 2.258 10 5 DEBERO Cc1c(Br)c(NCC2CC([NH3+])C2)ncc1[N+](=O)[O-] ZINC000715068880 792379828 /nfs/dbraw/zinc/37/98/28/792379828.db2.gz ZTQKHEBDKZHQPM-UHFFFAOYSA-N 1 0 315.171 2.210 10 5 DEBERO CC[NH2+][C@@H]1CCCC[C@H]1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942766 192343837 /nfs/dbraw/zinc/34/38/37/192343837.db2.gz ILTVPQMRGQCZBM-DGCLKSJQSA-N 1 0 312.391 2.289 10 5 DEBERO CCC[C@@H]([NH3+])[C@H](CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942161 192344488 /nfs/dbraw/zinc/34/44/88/192344488.db2.gz YZNZITMFJRVYBK-OLZOCXBDSA-N 1 0 300.380 2.275 10 5 DEBERO CCC[C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH2+]CC ZINC000081942094 192344422 /nfs/dbraw/zinc/34/44/22/192344422.db2.gz JRTWLTOBQKTBSO-NSHDSACASA-N 1 0 300.380 2.147 10 5 DEBERO CCC[NH2+][C@H]1CCC[C@@H]1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942685 192344530 /nfs/dbraw/zinc/34/45/30/192344530.db2.gz HKBSDPLYZRHCEE-AAEUAGOBSA-N 1 0 312.391 2.289 10 5 DEBERO [NH3+]C[C@@H]1CCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000087834839 185232897 /nfs/dbraw/zinc/23/28/97/185232897.db2.gz OPZISRMARAGMFQ-QMMMGPOBSA-N 1 0 300.156 2.142 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000177380742 282206025 /nfs/dbraw/zinc/20/60/25/282206025.db2.gz QQEQCKMRTNUUMR-HNNXBMFYSA-N 1 0 320.393 2.221 10 5 DEBERO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000090323077 185291038 /nfs/dbraw/zinc/29/10/38/185291038.db2.gz NUDQHPKTMJEOQC-RKDXNWHRSA-N 1 0 301.268 2.269 10 5 DEBERO C[C@@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000070176024 190867741 /nfs/dbraw/zinc/86/77/41/190867741.db2.gz LRVDQQDUTKPBLJ-SKDRFNHKSA-N 1 0 311.769 2.448 10 5 DEBERO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000149233004 186048729 /nfs/dbraw/zinc/04/87/29/186048729.db2.gz AAHLRGNXDJNUIS-SNVBAGLBSA-N 1 0 309.753 2.168 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155708534 186104919 /nfs/dbraw/zinc/10/49/19/186104919.db2.gz UMADYQWQXGKBKR-SWLSCSKDSA-N 1 0 305.378 2.362 10 5 DEBERO COc1ccc(OCC[NH+]2CCC([C@@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000173727229 198245107 /nfs/dbraw/zinc/24/51/07/198245107.db2.gz ZLQNFYDFAFJUCT-GFCCVEGCSA-N 1 0 324.377 2.075 10 5 DEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183146755 356161416 /nfs/dbraw/zinc/16/14/16/356161416.db2.gz MPEBQLVINOMYGZ-GFCCVEGCSA-N 1 0 320.393 2.293 10 5 DEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000598991070 359378470 /nfs/dbraw/zinc/37/84/70/359378470.db2.gz UNKJSAAHRPVKNZ-KIIBNJGVSA-N 1 0 306.362 2.128 10 5 DEBERO C[C@@H]1CC[C@@](CO)([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000187949709 200181786 /nfs/dbraw/zinc/18/17/86/200181786.db2.gz SRWQGXNXSCOFTO-UHOFOFEASA-N 1 0 308.378 2.111 10 5 DEBERO O=[N+]([O-])c1cnc(N[C@@H]2CCCC[NH2+]C2)c(Br)c1 ZINC000093434361 193250760 /nfs/dbraw/zinc/25/07/60/193250760.db2.gz AMOVZXIBZRPVNR-MRVPVSSYSA-N 1 0 315.171 2.306 10 5 DEBERO COC(=O)[C@@]1([NH3+])CC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000093847090 193317091 /nfs/dbraw/zinc/31/70/91/193317091.db2.gz XEVPIIFIJAEDTF-TVQRCGJNSA-N 1 0 314.725 2.050 10 5 DEBERO COC(=O)[C@]1([NH3+])CC[C@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000093847801 193317133 /nfs/dbraw/zinc/31/71/33/193317133.db2.gz FQBFBYUFKSKTET-ZANVPECISA-N 1 0 314.725 2.050 10 5 DEBERO COC(=O)[C@@]1([NH3+])CC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000093847092 193318013 /nfs/dbraw/zinc/31/80/13/193318013.db2.gz XEVPIIFIJAEDTF-NOZJJQNGSA-N 1 0 314.725 2.050 10 5 DEBERO CC[C@H](C[NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159431624 197353221 /nfs/dbraw/zinc/35/32/21/197353221.db2.gz GLLPORJVHHGCTK-SSDOTTSWSA-N 1 0 316.155 2.281 10 5 DEBERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000057004808 184024189 /nfs/dbraw/zinc/02/41/89/184024189.db2.gz IXSSQHYGOZTWLK-LBPRGKRZSA-N 1 0 308.382 2.124 10 5 DEBERO COc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000155358330 197047164 /nfs/dbraw/zinc/04/71/64/197047164.db2.gz IZGKVKXMWCHTRR-YPMHNXCESA-N 1 0 321.377 2.062 10 5 DEBERO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000190743784 145047287 /nfs/dbraw/zinc/04/72/87/145047287.db2.gz KAXKUYWBSQJOJR-AZWQULSGSA-N 1 0 315.373 2.351 10 5 DEBERO COc1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000248635444 145162326 /nfs/dbraw/zinc/16/23/26/145162326.db2.gz UEJQOGYOKNJECY-ZDUSSCGKSA-N 1 0 323.368 2.413 10 5 DEBERO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261926373 145242378 /nfs/dbraw/zinc/24/23/78/145242378.db2.gz ISNSXBCQUTXNPQ-ONXXMXGDSA-N 1 0 304.350 2.342 10 5 DEBERO CC[C@@H](O)C[NH+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000118858351 401912766 /nfs/dbraw/zinc/91/27/66/401912766.db2.gz SAQMUYWGKSFBFO-CZUORRHYSA-N 1 0 307.394 2.044 10 5 DEBERO Cc1sc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000047146916 401979030 /nfs/dbraw/zinc/97/90/30/401979030.db2.gz QDNSANYFRGLCRA-SNVBAGLBSA-N 1 0 311.407 2.426 10 5 DEBERO NC(=O)C1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000049963506 402023801 /nfs/dbraw/zinc/02/38/01/402023801.db2.gz GKJIXYGIGADXGD-UHFFFAOYSA-N 1 0 311.769 2.382 10 5 DEBERO Cc1ccc([C@@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000151283795 402027483 /nfs/dbraw/zinc/02/74/83/402027483.db2.gz LFMBLRFXLUPUJC-GDBMZVCRSA-N 1 0 321.421 2.401 10 5 DEBERO C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000151324734 402029749 /nfs/dbraw/zinc/02/97/49/402029749.db2.gz RSIJEJISTBNEPW-BBRMVZONSA-N 1 0 307.394 2.092 10 5 DEBERO C[C@H]1C[C@@H](N(C)C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000122930583 402102136 /nfs/dbraw/zinc/10/21/36/402102136.db2.gz ZVKRVFORJYWGOQ-JSGCOSHPSA-N 1 0 305.378 2.078 10 5 DEBERO Cc1cc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000104144938 402198971 /nfs/dbraw/zinc/19/89/71/402198971.db2.gz CSQOSNXULURONG-LBPRGKRZSA-N 1 0 320.393 2.090 10 5 DEBERO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000067548566 402162526 /nfs/dbraw/zinc/16/25/26/402162526.db2.gz SVBBBZJQALDXRM-LBPRGKRZSA-N 1 0 321.377 2.208 10 5 DEBERO CC[C@@H]1CN(c2cccc(OC)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000185365718 402347250 /nfs/dbraw/zinc/34/72/50/402347250.db2.gz NGAIVEZZNIMUBF-CYBMUJFWSA-N 1 0 323.393 2.150 10 5 DEBERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000185433346 402352034 /nfs/dbraw/zinc/35/20/34/402352034.db2.gz MOWYVOBEXDPKJF-LBPRGKRZSA-N 1 0 320.393 2.171 10 5 DEBERO CC[C@@H]([NH2+][C@@H](C)C(=O)NCCCOC)c1cccc([N+](=O)[O-])c1 ZINC000178676006 402525422 /nfs/dbraw/zinc/52/54/22/402525422.db2.gz QOPAGCDKUNVXAZ-SWLSCSKDSA-N 1 0 323.393 2.177 10 5 DEBERO CO[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000189270339 402533551 /nfs/dbraw/zinc/53/35/51/402533551.db2.gz JJOMLYWIHKUOQQ-DOMZBBRYSA-N 1 0 321.377 2.280 10 5 DEBERO CSc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000170861029 402534275 /nfs/dbraw/zinc/53/42/75/402534275.db2.gz CVEBQQDBRVUJBY-NSHDSACASA-N 1 0 309.391 2.093 10 5 DEBERO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000183204777 402746946 /nfs/dbraw/zinc/74/69/46/402746946.db2.gz XUQBDYMWFJZTNM-SMDDNHRTSA-N 1 0 307.350 2.081 10 5 DEBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000273331033 402994684 /nfs/dbraw/zinc/99/46/84/402994684.db2.gz SLUKEDSNGUZAGW-TZIYXEQSSA-N 1 0 303.362 2.066 10 5 DEBERO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCO[C@H](C[NH+](C)C)C1 ZINC000277857096 403264421 /nfs/dbraw/zinc/26/44/21/403264421.db2.gz UAIZSAJRPVVRTJ-GFCCVEGCSA-N 1 0 313.785 2.323 10 5 DEBERO Cn1cc([C@H](CNc2ccc([N+](=O)[O-])cc2F)[NH+](C)C)cn1 ZINC000301283088 403609936 /nfs/dbraw/zinc/60/99/36/403609936.db2.gz LKCUTTFJMSWPQM-AWEZNQCLSA-N 1 0 307.329 2.182 10 5 DEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000435059204 404954225 /nfs/dbraw/zinc/95/42/25/404954225.db2.gz VMLFHBBQQBIBKT-KYTCBBFDSA-N 1 0 315.373 2.210 10 5 DEBERO C[C@@H]1C[N@@H+](CCCCNc2ccc([N+](=O)[O-])nc2)C[C@H](C)O1 ZINC000490090039 406451626 /nfs/dbraw/zinc/45/16/26/406451626.db2.gz NDUYZSIZYQLEGH-BETUJISGSA-N 1 0 308.382 2.291 10 5 DEBERO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000571619394 406542420 /nfs/dbraw/zinc/54/24/20/406542420.db2.gz QDPFCIFTFCQCDY-QWHCGFSZSA-N 1 0 305.378 2.156 10 5 DEBERO CC[C@@H](C)[C@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH2+]C ZINC000132787516 196284580 /nfs/dbraw/zinc/28/45/80/196284580.db2.gz HDWKDDQIJMBGQG-MNOVXSKESA-N 1 0 300.380 2.003 10 5 DEBERO C[C@@H](C(=O)Nc1ccc(Br)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000134099815 196361415 /nfs/dbraw/zinc/36/14/15/196361415.db2.gz RQNUQBXIVWPBIO-RQJHMYQMSA-N 1 0 316.155 2.279 10 5 DEBERO C[C@@H]1[NH2+]CCC[C@H]1Nc1c(Br)cncc1[N+](=O)[O-] ZINC000235309739 274420096 /nfs/dbraw/zinc/42/00/96/274420096.db2.gz IXOXWDLLYYSLDZ-IONNQARKSA-N 1 0 315.171 2.305 10 5 DEBERO Cc1cc(N2CC[NH2+]CC2)c(Br)cc1[N+](=O)[O-] ZINC000235842834 274708592 /nfs/dbraw/zinc/70/85/92/274708592.db2.gz GJGHGQAJVVALQW-UHFFFAOYSA-N 1 0 300.156 2.075 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000176963750 276181960 /nfs/dbraw/zinc/18/19/60/276181960.db2.gz NWVZPJHLYFPDKS-ZDUSSCGKSA-N 1 0 321.377 2.160 10 5 DEBERO C[N@@H+]1CCO[C@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000285085196 277129861 /nfs/dbraw/zinc/12/98/61/277129861.db2.gz PXBKUUZXHDPAEI-KBPBESRZSA-N 1 0 311.769 2.158 10 5 DEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCC[NH+](C)C ZINC000577047089 326338167 /nfs/dbraw/zinc/33/81/67/326338167.db2.gz JPIKRGYHFMVDRW-UHFFFAOYSA-N 1 0 324.381 2.409 10 5 DEBERO CO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000226422164 523688062 /nfs/dbraw/zinc/68/80/62/523688062.db2.gz UDELMTHLHIXEMK-CHWSQXEVSA-N 1 0 313.785 2.186 10 5 DEBERO CSc1ccc(C(=O)N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000188858058 525958258 /nfs/dbraw/zinc/95/82/58/525958258.db2.gz YMDCVCZFQYCDRP-UHFFFAOYSA-N 1 0 321.402 2.237 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000177158242 625863521 /nfs/dbraw/zinc/86/35/21/625863521.db2.gz CBKYQYOCKZVVLS-OAHLLOKOSA-N 1 0 317.393 2.318 10 5 DEBERO Cc1nn(CN2CCC(C[NH+]3CCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000151826434 647025668 /nfs/dbraw/zinc/02/56/68/647025668.db2.gz IIVPWIBIOLBOLV-UHFFFAOYSA-N 1 0 321.425 2.173 10 5 DEBERO C[N@@+]1(C[C@H](O)COc2ccccc2)C=C(Br)C=N1 ZINC001082760114 717195948 /nfs/dbraw/zinc/19/59/48/717195948.db2.gz UHBUUEWETPAUFU-LRDDRELGSA-N 1 0 312.187 2.109 10 5 DEBERO O=[N+]([O-])c1ccc2oc(CN3CCC[N@@H+](C4CC4)CC3)nc2c1 ZINC000083173938 185215700 /nfs/dbraw/zinc/21/57/00/185215700.db2.gz KSPHUUYYGSQGMP-UHFFFAOYSA-N 1 0 316.361 2.406 10 5 DEBERO [NH3+]C[C@]1(Cc2ccc([N+](=O)[O-])cc2Br)CCOC1 ZINC000087932550 185237666 /nfs/dbraw/zinc/23/76/66/185237666.db2.gz NVLJYTIZUOBSTE-GFCCVEGCSA-N 1 0 315.167 2.265 10 5 DEBERO C[C@@H](O)[C@](C)(C[NH3+])Cc1ccc([N+](=O)[O-])cc1Br ZINC000087932027 185237735 /nfs/dbraw/zinc/23/77/35/185237735.db2.gz AHQISIYMHVRSFZ-PELKAZGASA-N 1 0 317.183 2.246 10 5 DEBERO [NH3+]C[C@H]1CCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000087834838 185232770 /nfs/dbraw/zinc/23/27/70/185232770.db2.gz OPZISRMARAGMFQ-MRVPVSSYSA-N 1 0 300.156 2.142 10 5 DEBERO Cc1c(Br)c(O[C@H]2CCC[C@H]2[NH3+])ncc1[N+](=O)[O-] ZINC000165869316 197683293 /nfs/dbraw/zinc/68/32/93/197683293.db2.gz NLPUBOXZQXSXHQ-APPZFPTMSA-N 1 0 316.155 2.319 10 5 DEBERO CC[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000166063745 197687799 /nfs/dbraw/zinc/68/77/99/197687799.db2.gz HCJCMKHJYXEWGF-CQSZACIVSA-N 1 0 306.366 2.179 10 5 DEBERO COc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000090537838 185301572 /nfs/dbraw/zinc/30/15/72/185301572.db2.gz QAMJLURQDSKBNW-LLVKDONJSA-N 1 0 320.349 2.159 10 5 DEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1CS(=O)(=O)C1 ZINC000615728139 362694329 /nfs/dbraw/zinc/69/43/29/362694329.db2.gz CZAFBSWAHUQALI-KPKJPENVSA-N 1 0 324.402 2.022 10 5 DEBERO C[C@H]1CC[C@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000070179953 190868431 /nfs/dbraw/zinc/86/84/31/190868431.db2.gz QHZCAXKZONSFRU-VHSXEESVSA-N 1 0 311.769 2.448 10 5 DEBERO Cc1ccc(NC(=O)Cc2csc(CC[NH3+])n2)cc1[N+](=O)[O-] ZINC000071696347 191008710 /nfs/dbraw/zinc/00/87/10/191008710.db2.gz OMXGONNXLQAANJ-UHFFFAOYSA-N 1 0 320.374 2.042 10 5 DEBERO Cc1c([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)cccc1[N+](=O)[O-] ZINC000180584762 199179602 /nfs/dbraw/zinc/17/96/02/199179602.db2.gz XTGCGISLFOPANI-NEPJUHHUSA-N 1 0 301.350 2.160 10 5 DEBERO Cc1c([C@H](C)[NH2+][C@H]2CCc3ncnn3C2)cccc1[N+](=O)[O-] ZINC000180584778 199179646 /nfs/dbraw/zinc/17/96/46/199179646.db2.gz XTGCGISLFOPANI-RYUDHWBXSA-N 1 0 301.350 2.160 10 5 DEBERO CN(CC1C[NH+](C)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000596453986 358689991 /nfs/dbraw/zinc/68/99/91/358689991.db2.gz POVNJWMZRUNDFH-UHFFFAOYSA-N 1 0 314.183 2.355 10 5 DEBERO CCC[NH2+]C[C@](C)(O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000090822519 192937449 /nfs/dbraw/zinc/93/74/49/192937449.db2.gz NQJUONSCJPWJBP-ZDUSSCGKSA-N 1 0 302.758 2.378 10 5 DEBERO [NH3+][C@@H]1CC[C@@H](Oc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000093219087 193218302 /nfs/dbraw/zinc/21/83/02/193218302.db2.gz BWZLZTRZFMBPTB-HTQZYQBOSA-N 1 0 302.128 2.011 10 5 DEBERO [NH3+][C@@H]1CC[C@H](Oc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093434607 193251988 /nfs/dbraw/zinc/25/19/88/193251988.db2.gz XLWFYQRUPYLERV-SVRRBLITSA-N 1 0 302.128 2.011 10 5 DEBERO O=[N+]([O-])c1ccc2sc([S@@](=O)[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000095092222 193422766 /nfs/dbraw/zinc/42/27/66/193422766.db2.gz JRQIAODZSCJFDK-GSDQLPOLSA-N 1 0 311.388 2.064 10 5 DEBERO Cc1cc(C)n(-c2ncnc(Nc3cc[nH+]cc3)c2[N+](=O)[O-])n1 ZINC000040586505 183106304 /nfs/dbraw/zinc/10/63/04/183106304.db2.gz DHMUFSJUHJMDOM-UHFFFAOYSA-N 1 0 311.305 2.326 10 5 DEBERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000040749701 183128981 /nfs/dbraw/zinc/12/89/81/183128981.db2.gz GGZHQZUGGQMSBY-FGWVZKOKSA-N 1 0 309.753 2.343 10 5 DEBERO CC(C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159438041 197353181 /nfs/dbraw/zinc/35/31/81/197353181.db2.gz VLZIKCBNDNBAGZ-UHFFFAOYSA-N 1 0 316.155 2.294 10 5 DEBERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000105872907 194153861 /nfs/dbraw/zinc/15/38/61/194153861.db2.gz BCKLFTPGEBXXCM-DGCLKSJQSA-N 1 0 315.377 2.414 10 5 DEBERO C[NH2+]C[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000063167653 184275700 /nfs/dbraw/zinc/27/57/00/184275700.db2.gz ZYTGHVJNSFLEGL-NSHDSACASA-N 1 0 311.769 2.462 10 5 DEBERO O=[N+]([O-])c1c(F)cccc1N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000301715556 285076342 /nfs/dbraw/zinc/07/63/42/285076342.db2.gz JUEGCLVMKXQRSM-OLZOCXBDSA-N 1 0 323.368 2.159 10 5 DEBERO [NH3+][C@H]1CCN(c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000158747814 197298026 /nfs/dbraw/zinc/29/80/26/197298026.db2.gz ZOKDWARVVYTDAH-LURJTMIESA-N 1 0 304.119 2.034 10 5 DEBERO CCOCC[NH2+]Cc1cc(Br)ccc1[N+](=O)[O-] ZINC000121124169 195296357 /nfs/dbraw/zinc/29/63/57/195296357.db2.gz KWVYJGUYWKIRDR-UHFFFAOYSA-N 1 0 303.156 2.483 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000247034244 145124624 /nfs/dbraw/zinc/12/46/24/145124624.db2.gz GLDCXNXZWKMAPS-RISCZKNCSA-N 1 0 304.350 2.295 10 5 DEBERO Cc1c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000247351765 145134838 /nfs/dbraw/zinc/13/48/38/145134838.db2.gz JSCJQBJYBCVULI-AAEUAGOBSA-N 1 0 305.378 2.458 10 5 DEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)[C@@H](C)C1 ZINC000247406162 145135966 /nfs/dbraw/zinc/13/59/66/145135966.db2.gz MYCDFIISYQGHEB-XHDPSFHLSA-N 1 0 320.393 2.101 10 5 DEBERO CCOCC[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000247810568 145144443 /nfs/dbraw/zinc/14/44/43/145144443.db2.gz UUTCAIOTQFPTRH-CQSZACIVSA-N 1 0 307.394 2.137 10 5 DEBERO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261646711 145213299 /nfs/dbraw/zinc/21/32/99/145213299.db2.gz FJFXQPPXFNDFFE-IOASZLSFSA-N 1 0 319.361 2.066 10 5 DEBERO CC1(C)CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000261684313 145216189 /nfs/dbraw/zinc/21/61/89/145216189.db2.gz ASOFIEKFZVUADP-CYBMUJFWSA-N 1 0 323.418 2.273 10 5 DEBERO CC1(C)CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000261738139 145222182 /nfs/dbraw/zinc/22/21/82/145222182.db2.gz DFBGIUHNJCDGBG-CQSZACIVSA-N 1 0 305.378 2.113 10 5 DEBERO C[C@@H](CCC[NH3+])Nc1ncc([N+](=O)[O-])cc1Br ZINC000336679935 145396807 /nfs/dbraw/zinc/39/68/07/145396807.db2.gz DIRLLILRISITGL-ZETCQYMHSA-N 1 0 303.160 2.292 10 5 DEBERO COc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000113269712 401773804 /nfs/dbraw/zinc/77/38/04/401773804.db2.gz CORJFMNROWFWBI-TZMCWYRMSA-N 1 0 305.378 2.272 10 5 DEBERO Cn1cc([C@@H]2CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)cn1 ZINC000116317134 401849096 /nfs/dbraw/zinc/84/90/96/401849096.db2.gz JAYOYOTXUVOZHF-LLVKDONJSA-N 1 0 304.325 2.457 10 5 DEBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000119487912 401953703 /nfs/dbraw/zinc/95/37/03/401953703.db2.gz CNPCILGRCKACKD-MRXNPFEDSA-N 1 0 319.405 2.374 10 5 DEBERO Cc1ccc([C@H](C)NC[C@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000151283739 402027514 /nfs/dbraw/zinc/02/75/14/402027514.db2.gz LFMBLRFXLUPUJC-HOCLYGCPSA-N 1 0 321.421 2.401 10 5 DEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000122649476 402088975 /nfs/dbraw/zinc/08/89/75/402088975.db2.gz HLAJVAIKQZPGFJ-CZUORRHYSA-N 1 0 319.405 2.326 10 5 DEBERO CN1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1=O ZINC000152354440 402091586 /nfs/dbraw/zinc/09/15/86/402091586.db2.gz MHIKUJMKRKAXKE-CABCVRRESA-N 1 0 317.389 2.126 10 5 DEBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067724470 402170009 /nfs/dbraw/zinc/17/00/09/402170009.db2.gz ZDHXMEPGRHMYOA-CQSZACIVSA-N 1 0 322.409 2.370 10 5 DEBERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070069731 402256892 /nfs/dbraw/zinc/25/68/92/402256892.db2.gz SKQVUFUAVGXGGO-NSHDSACASA-N 1 0 311.769 2.414 10 5 DEBERO CCOCC[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000106112838 402212685 /nfs/dbraw/zinc/21/26/85/402212685.db2.gz UQSUKNKBOARDKK-AWEZNQCLSA-N 1 0 307.394 2.137 10 5 DEBERO COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cc1[N+](=O)[O-] ZINC000159003706 402316375 /nfs/dbraw/zinc/31/63/75/402316375.db2.gz NAFCLQFRGWAESB-CQSZACIVSA-N 1 0 316.361 2.465 10 5 DEBERO CC(C)C[C@@H](CO)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000185330150 402343717 /nfs/dbraw/zinc/34/37/17/402343717.db2.gz WUTCUXPSOJAXNA-HNNXBMFYSA-N 1 0 324.377 2.300 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000176989305 402357587 /nfs/dbraw/zinc/35/75/87/402357587.db2.gz UFKIKXXWGZPVOQ-ZDUSSCGKSA-N 1 0 321.377 2.160 10 5 DEBERO C[C@@]1(C(N)=O)CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000185910410 402387985 /nfs/dbraw/zinc/38/79/85/402387985.db2.gz VFMWNBBXFJXEJD-INIZCTEOSA-N 1 0 321.377 2.094 10 5 DEBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000185820582 402380164 /nfs/dbraw/zinc/38/01/64/402380164.db2.gz BVGIRBQVTFXTRF-PABFRNLHSA-N 1 0 303.362 2.161 10 5 DEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000247503686 402570260 /nfs/dbraw/zinc/57/02/60/402570260.db2.gz VGVRVTHVPZLIGO-ZFWWWQNUSA-N 1 0 305.378 2.142 10 5 DEBERO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000246259894 402521659 /nfs/dbraw/zinc/52/16/59/402521659.db2.gz KYHRKISXQIUPCL-OIISXLGYSA-N 1 0 319.405 2.044 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000183293084 402753902 /nfs/dbraw/zinc/75/39/02/402753902.db2.gz XCGGCCQLRUPMRH-QGZVFWFLSA-N 1 0 319.405 2.200 10 5 DEBERO CSc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000195310122 402841891 /nfs/dbraw/zinc/84/18/91/402841891.db2.gz GKYSTLZUFSQAFM-LBPRGKRZSA-N 1 0 321.402 2.237 10 5 DEBERO CCC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000175424843 402806100 /nfs/dbraw/zinc/80/61/00/402806100.db2.gz WGJQNNURFWQLCN-CVEARBPZSA-N 1 0 307.394 2.356 10 5 DEBERO C[C@H]1C[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000279207986 402916487 /nfs/dbraw/zinc/91/64/87/402916487.db2.gz MAENYCZXHIWYSO-AAEUAGOBSA-N 1 0 303.362 2.214 10 5 DEBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000273444457 403005479 /nfs/dbraw/zinc/00/54/79/403005479.db2.gz NUWABDFWHUGQGY-HBIYDYFMSA-N 1 0 303.362 2.209 10 5 DEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000344855547 404407174 /nfs/dbraw/zinc/40/71/74/404407174.db2.gz FJLZYDBCRSRERM-BCNIOPEESA-N 1 0 303.362 2.209 10 5 DEBERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccncc1[N+](=O)[O-] ZINC000361015910 404880156 /nfs/dbraw/zinc/88/01/56/404880156.db2.gz WMPCPGWNCSVQLR-CJNGLKHVSA-N 1 0 312.373 2.344 10 5 DEBERO CCOc1ccc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000449692759 405695816 /nfs/dbraw/zinc/69/58/16/405695816.db2.gz BOHKZDWYNYGCNZ-AWEZNQCLSA-N 1 0 321.377 2.111 10 5 DEBERO CN(CCC[NH+](C)C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000537214260 406286291 /nfs/dbraw/zinc/28/62/91/406286291.db2.gz UGTNVGZCWQKJOA-UHFFFAOYSA-N 1 0 322.409 2.197 10 5 DEBERO C[C@@H]1C[NH+](CCCCNc2ccc([N+](=O)[O-])nc2)C[C@@H](C)O1 ZINC000490090040 406452261 /nfs/dbraw/zinc/45/22/61/406452261.db2.gz NDUYZSIZYQLEGH-CHWSQXEVSA-N 1 0 308.382 2.291 10 5 DEBERO C[C@@H]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@H]1C[NH3+] ZINC000261738341 274292277 /nfs/dbraw/zinc/29/22/77/274292277.db2.gz RWWBOAJZXGJHAS-SCZZXKLOSA-N 1 0 307.379 2.163 10 5 DEBERO C[C@@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261543228 274361447 /nfs/dbraw/zinc/36/14/47/274361447.db2.gz RWCVPBONLKSRHC-VXNVDRBHSA-N 1 0 300.156 2.141 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000297168215 274375621 /nfs/dbraw/zinc/37/56/21/274375621.db2.gz PHQVIJMBDWJSAM-PWSUYJOCSA-N 1 0 301.350 2.144 10 5 DEBERO CC[NH2+][C@H](C)CNc1ncc([N+](=O)[O-])cc1Br ZINC000387597101 333112173 /nfs/dbraw/zinc/11/21/73/333112173.db2.gz UZUUFLZOIMEHTP-SSDOTTSWSA-N 1 0 303.160 2.162 10 5 DEBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000246999786 519692763 /nfs/dbraw/zinc/69/27/63/519692763.db2.gz GTYIKTYDERBNJT-QMTHXVAHSA-N 1 0 309.341 2.192 10 5 DEBERO CC[N@@H+]1CCC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000176291972 535573471 /nfs/dbraw/zinc/57/34/71/535573471.db2.gz JICNIUIDAQBKJU-AWEZNQCLSA-N 1 0 305.378 2.128 10 5 DEBERO C/C(=C\C(=O)NC[C@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000750806757 639029097 /nfs/dbraw/zinc/02/90/97/639029097.db2.gz FYSDSVRMCKTMFP-CNELAYHGSA-N 1 0 303.362 2.066 10 5 DEBERO C/C(=C\C(=O)NC[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000752348228 639173967 /nfs/dbraw/zinc/17/39/67/639173967.db2.gz OWPSAQREYJBWPN-PABFRNLHSA-N 1 0 303.362 2.209 10 5 DEBERO Cc1nn(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(C)c1[N+](=O)[O-] ZINC000174098619 646790653 /nfs/dbraw/zinc/79/06/53/646790653.db2.gz ZVLUULKBRGUUPQ-CABCVRRESA-N 1 0 321.425 2.313 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000153249674 647396943 /nfs/dbraw/zinc/39/69/43/647396943.db2.gz XHNKOGYFLCSIFT-IUODEOHRSA-N 1 0 315.377 2.071 10 5 DEBERO Cc1ccc(C[NH2+]CC(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000075800503 1080255260 /nfs/dbraw/zinc/25/52/60/1080255260.db2.gz KRGOSXSNUCUZTI-UHFFFAOYSA-N 1 0 313.357 2.309 10 5 DEBERO CC[C@@H]1CC[C@H]([NH3+])[C@H](S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000081942700 192344081 /nfs/dbraw/zinc/34/40/81/192344081.db2.gz KDAIUSVFSFZRMW-UHIISALHSA-N 1 0 312.391 2.275 10 5 DEBERO O=[N+]([O-])c1ccc(Br)cc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090322903 185291036 /nfs/dbraw/zinc/29/10/36/185291036.db2.gz HNBQMQDPUFQCGQ-RKDXNWHRSA-N 1 0 312.167 2.013 10 5 DEBERO C[NH+](C)C[C@H]1CSCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000090699883 185310513 /nfs/dbraw/zinc/31/05/13/185310513.db2.gz CYBROMFFNGSXFL-AWEZNQCLSA-N 1 0 323.418 2.104 10 5 DEBERO C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000089710349 290760039 /nfs/dbraw/zinc/76/00/39/290760039.db2.gz ORCNNRBEEHXDEQ-ZANVPECISA-N 1 0 311.769 2.270 10 5 DEBERO C[C@H]1CC[C@@H](C[NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000070179955 190868411 /nfs/dbraw/zinc/86/84/11/190868411.db2.gz QHZCAXKZONSFRU-UWVGGRQHSA-N 1 0 311.769 2.448 10 5 DEBERO O=[N+]([O-])c1ccc(C[NH2+]C2(CCO)CCOCC2)c(Cl)c1 ZINC000611792618 361683177 /nfs/dbraw/zinc/68/31/77/361683177.db2.gz ZKIOPLGGNZJQEX-UHFFFAOYSA-N 1 0 314.769 2.269 10 5 DEBERO [NH3+]CC1CC(Oc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000091451446 193058953 /nfs/dbraw/zinc/05/89/53/193058953.db2.gz IJCAMNZQTKYSQX-UHFFFAOYSA-N 1 0 301.140 2.473 10 5 DEBERO CC[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000093520597 193263337 /nfs/dbraw/zinc/26/33/37/193263337.db2.gz XOJMRKUJHYPVMU-CYBMUJFWSA-N 1 0 314.407 2.459 10 5 DEBERO C[NH2+][C@H]1[C@H](S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1(C)C ZINC000094311260 193358635 /nfs/dbraw/zinc/35/86/35/193358635.db2.gz WYLKZVYVOODWNP-OLZOCXBDSA-N 1 0 312.391 2.145 10 5 DEBERO O=[N+]([O-])c1ccc2sc([S@@](=O)[C@H]3CCC[NH2+]C3)nc2c1 ZINC000095092224 193423257 /nfs/dbraw/zinc/42/32/57/193423257.db2.gz JRQIAODZSCJFDK-GWNMQOMSSA-N 1 0 311.388 2.064 10 5 DEBERO CO[C@@]1(C[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])CCOC1 ZINC000160302436 197399478 /nfs/dbraw/zinc/39/94/78/197399478.db2.gz YUKIEDJBOPDROF-CYBMUJFWSA-N 1 0 300.742 2.143 10 5 DEBERO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc([N+](=O)[O-])ccc1Cl ZINC000021800319 182290720 /nfs/dbraw/zinc/29/07/20/182290720.db2.gz OVAWTGQRJDAJPQ-ZDUSSCGKSA-N 1 0 309.753 2.072 10 5 DEBERO CN1CC[C@H]([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000042545712 183283308 /nfs/dbraw/zinc/28/33/08/183283308.db2.gz SJHWQROVEXWHSC-JTQLQIEISA-N 1 0 314.183 2.151 10 5 DEBERO CCC[NH2+][C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301189 183352253 /nfs/dbraw/zinc/35/22/53/183352253.db2.gz ZGMIVSYGIZRBNM-JSGCOSHPSA-N 1 0 312.391 2.070 10 5 DEBERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010130 194382025 /nfs/dbraw/zinc/38/20/25/194382025.db2.gz ASCCJVJPAUQWSD-ULKQDVFKSA-N 1 0 309.753 2.261 10 5 DEBERO [NH3+]C/C=C/CNc1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000158784730 197301304 /nfs/dbraw/zinc/30/13/04/197301304.db2.gz QZRQWTYUWGZYJU-OWOJBTEDSA-N 1 0 304.119 2.423 10 5 DEBERO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000157060975 197159004 /nfs/dbraw/zinc/15/90/04/197159004.db2.gz UTXZUCIFQQVWMC-NKWVEPMBSA-N 1 0 316.155 2.279 10 5 DEBERO C[C@@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[S@](C)=O ZINC000168135014 144804601 /nfs/dbraw/zinc/80/46/01/144804601.db2.gz GVQQMJGWJKALBZ-ZRNGKTOUSA-N 1 0 304.799 2.495 10 5 DEBERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C[C@@H]12 ZINC000185012299 144953713 /nfs/dbraw/zinc/95/37/13/144953713.db2.gz LUSXPPJTEUDJLK-ZEGGKSINSA-N 1 0 309.753 2.058 10 5 DEBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246203448 145094505 /nfs/dbraw/zinc/09/45/05/145094505.db2.gz JKTBAMBUPJLGQY-BXUZGUMPSA-N 1 0 306.366 2.445 10 5 DEBERO Cn1cc([C@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000246337512 145099279 /nfs/dbraw/zinc/09/92/79/145099279.db2.gz UDHHUSVFONFJJL-HZPDHXFCSA-N 1 0 316.361 2.199 10 5 DEBERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000252656485 145199642 /nfs/dbraw/zinc/19/96/42/145199642.db2.gz GNDQZQSAUXMQGR-FZMZJTMJSA-N 1 0 321.352 2.290 10 5 DEBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261795653 145227379 /nfs/dbraw/zinc/22/73/79/145227379.db2.gz UHSWGGGOKRSKLH-CFVMTHIKSA-N 1 0 317.389 2.474 10 5 DEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000076479805 401795842 /nfs/dbraw/zinc/79/58/42/401795842.db2.gz FZQSQWDQMZHZQZ-UKRRQHHQSA-N 1 0 319.405 2.326 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115433870 401827574 /nfs/dbraw/zinc/82/75/74/401827574.db2.gz HAZZXKBVIWFBTA-ZDUSSCGKSA-N 1 0 305.378 2.317 10 5 DEBERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116277228 401847540 /nfs/dbraw/zinc/84/75/40/401847540.db2.gz AAKYOBVWZPQJDB-KOLCDFICSA-N 1 0 311.769 2.334 10 5 DEBERO C[NH+](C)C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000116278739 401847787 /nfs/dbraw/zinc/84/77/87/401847787.db2.gz YWOCKMJYFMUOEH-CYBMUJFWSA-N 1 0 313.785 2.011 10 5 DEBERO C[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000077421644 401814754 /nfs/dbraw/zinc/81/47/54/401814754.db2.gz FFTFHYGUIQPXCE-RKDXNWHRSA-N 1 0 317.183 2.464 10 5 DEBERO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC([NH+]3CCCC3)CC2)c1 ZINC000137055484 401978036 /nfs/dbraw/zinc/97/80/36/401978036.db2.gz CNQWDYHGJDHMBN-KRWDZBQOSA-N 1 0 319.405 2.188 10 5 DEBERO O=[N+]([O-])c1cc(Br)cnc1NCC1CC[NH2+]CC1 ZINC000044509309 401944505 /nfs/dbraw/zinc/94/45/05/401944505.db2.gz RNFDVSODXMVDAX-UHFFFAOYSA-N 1 0 315.171 2.164 10 5 DEBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000151105486 402016428 /nfs/dbraw/zinc/01/64/28/402016428.db2.gz JUGQJLQPXUUQFD-MFKMUULPSA-N 1 0 309.341 2.192 10 5 DEBERO CC[NH+](CC)CCNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000152855133 402112495 /nfs/dbraw/zinc/11/24/95/402112495.db2.gz HQUTUGGMJLPKSN-UHFFFAOYSA-N 1 0 309.366 2.444 10 5 DEBERO CCO[C@H]1C[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C12CCCC2 ZINC000176260691 402295184 /nfs/dbraw/zinc/29/51/84/402295184.db2.gz JVERLMOVBCVLFJ-KBPBESRZSA-N 1 0 322.409 2.461 10 5 DEBERO C[NH2+]C1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237083204 402394715 /nfs/dbraw/zinc/39/47/15/402394715.db2.gz HTUZFNGEGJJAIY-NSHDSACASA-N 1 0 323.418 2.286 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000177441685 402403065 /nfs/dbraw/zinc/40/30/65/402403065.db2.gz GMSIKYURAHKRPO-HNNXBMFYSA-N 1 0 320.393 2.221 10 5 DEBERO CCOc1cc(NC[C@H](O)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000178346172 402487490 /nfs/dbraw/zinc/48/74/90/402487490.db2.gz YIFQJDBHMNECRF-AWEZNQCLSA-N 1 0 323.393 2.252 10 5 DEBERO C[C@@H]1CC[C@@](CO)([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000187987807 402515243 /nfs/dbraw/zinc/51/52/43/402515243.db2.gz NTQPQXZUJPETRD-CZUORRHYSA-N 1 0 308.378 2.457 10 5 DEBERO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000251516113 402647564 /nfs/dbraw/zinc/64/75/64/402647564.db2.gz CKBWRQMWZOSRKV-IUODEOHRSA-N 1 0 321.377 2.280 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183583798 402778365 /nfs/dbraw/zinc/77/83/65/402778365.db2.gz RXYSVHIISWOQGV-VXGBXAGGSA-N 1 0 319.365 2.080 10 5 DEBERO CC[N@@H+]1CCC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000194650438 402807968 /nfs/dbraw/zinc/80/79/68/402807968.db2.gz ZDTXHYOUWYOEEW-LBPRGKRZSA-N 1 0 323.418 2.287 10 5 DEBERO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000175207114 402788183 /nfs/dbraw/zinc/78/81/83/402788183.db2.gz DQDQFQHZTRWWIR-OAHLLOKOSA-N 1 0 305.378 2.274 10 5 DEBERO C[C@H]1C[C@@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000280895163 403047985 /nfs/dbraw/zinc/04/79/85/403047985.db2.gz HBNWDKYCBACSIP-RYUDHWBXSA-N 1 0 303.362 2.214 10 5 DEBERO COC(=O)c1cc(N2CCC[C@@H]([NH+](C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000268478143 403087033 /nfs/dbraw/zinc/08/70/33/403087033.db2.gz KBXAIAYVVXWYOE-GFCCVEGCSA-N 1 0 321.377 2.220 10 5 DEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCn1ccnn1 ZINC000344827299 404391139 /nfs/dbraw/zinc/39/11/39/404391139.db2.gz ZSHKYFAQMLVTJN-RAXLEYEMSA-N 1 0 301.350 2.270 10 5 DEBERO CCc1cc(C[NH3+])c([N+](=O)[O-])cc1I ZINC000575726862 406825304 /nfs/dbraw/zinc/82/53/04/406825304.db2.gz YTGGRXCNJVEUJV-UHFFFAOYSA-N 1 0 306.103 2.221 10 5 DEBERO C[C@H](CC[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[S@@](C)=O ZINC000129456136 196050507 /nfs/dbraw/zinc/05/05/07/196050507.db2.gz JBPCVCPIALWDTE-HOGDKLEQSA-N 1 0 304.799 2.495 10 5 DEBERO CC[NH2+][C@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CC ZINC000132784829 196283106 /nfs/dbraw/zinc/28/31/06/196283106.db2.gz ZXROZDLLCPGLQX-SMDDNHRTSA-N 1 0 314.407 2.393 10 5 DEBERO O=[N+]([O-])c1cc(Cl)c(Cl)cc1NC[C@@H]1C[NH2+]CCO1 ZINC000134272545 196375926 /nfs/dbraw/zinc/37/59/26/196375926.db2.gz YLKDJBKRAZFVAP-ZETCQYMHSA-N 1 0 306.149 2.302 10 5 DEBERO O=[N+]([O-])c1ccc(Br)cc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090322902 275035157 /nfs/dbraw/zinc/03/51/57/275035157.db2.gz HNBQMQDPUFQCGQ-DTORHVGOSA-N 1 0 312.167 2.013 10 5 DEBERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccccc1 ZINC000248136161 277137079 /nfs/dbraw/zinc/13/70/79/277137079.db2.gz XNDNCMHERAKZEM-IUODEOHRSA-N 1 0 315.329 2.363 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000246574511 288311886 /nfs/dbraw/zinc/31/18/86/288311886.db2.gz OFRZOSBFNSKYKL-PWSUYJOCSA-N 1 0 307.325 2.043 10 5 DEBERO [NH3+]C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000050249990 623910241 /nfs/dbraw/zinc/91/02/41/623910241.db2.gz XEJONPVFYSMLGN-MRVPVSSYSA-N 1 0 300.156 2.142 10 5 DEBERO C[NH+](C)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000036192083 635881035 /nfs/dbraw/zinc/88/10/35/635881035.db2.gz HFBKYWGBVIQJPP-UHFFFAOYSA-N 1 0 311.769 2.414 10 5 DEBERO C/C(=C\C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000751501989 639087739 /nfs/dbraw/zinc/08/77/39/639087739.db2.gz KXJQCCXOMRWGSE-WONIAPNHSA-N 1 0 315.373 2.351 10 5 DEBERO C/C(=C/C(=O)NCC1=CC[N@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752756008 639216493 /nfs/dbraw/zinc/21/64/93/639216493.db2.gz UNICFBBDNCPJTJ-QBFSEMIESA-N 1 0 315.373 2.376 10 5 DEBERO [NH3+][C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000043596920 683901294 /nfs/dbraw/zinc/90/12/94/683901294.db2.gz GFRYUQKXSFJUAD-QMMMGPOBSA-N 1 0 300.156 2.285 10 5 DEBERO CCN(CCc1nccs1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000134002352 684224531 /nfs/dbraw/zinc/22/45/31/684224531.db2.gz MOVGUUCNWFFPIO-UHFFFAOYSA-N 1 0 309.395 2.387 10 5 DEBERO C[C@@H]1C[NH2+]C[C@H]1Nc1cc(Br)ccc1[N+](=O)[O-] ZINC000721864580 780412473 /nfs/dbraw/zinc/41/24/73/780412473.db2.gz YQQAQBRVMVPJDC-GMSGAONNSA-N 1 0 300.156 2.377 10 5 DEBERO CC(C)(C)[NH2+]CCCS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942780 192344200 /nfs/dbraw/zinc/34/42/00/192344200.db2.gz HPGWAAJPXIWDFX-UHFFFAOYSA-N 1 0 300.380 2.147 10 5 DEBERO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000087834789 185232845 /nfs/dbraw/zinc/23/28/45/185232845.db2.gz VQUVGPSVABPHAG-QPUJVOFHSA-N 1 0 312.167 2.155 10 5 DEBERO Cc1c(Br)c(N[C@H]2CCC[C@H]2[NH3+])ncc1[N+](=O)[O-] ZINC000165818468 197682933 /nfs/dbraw/zinc/68/29/33/197682933.db2.gz QXRUDQGXWTYNSH-SFYZADRCSA-N 1 0 315.171 2.352 10 5 DEBERO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCOCC1CCC1)OCCO2 ZINC000613175366 362027533 /nfs/dbraw/zinc/02/75/33/362027533.db2.gz MWGHNPNJWZKERO-UHFFFAOYSA-N 1 0 322.361 2.272 10 5 DEBERO [NH3+]CCCc1nc(CC(=O)Nc2ccccc2[N+](=O)[O-])cs1 ZINC000071695702 191008899 /nfs/dbraw/zinc/00/88/99/191008899.db2.gz KKCUFQGVMTZFOC-UHFFFAOYSA-N 1 0 320.374 2.124 10 5 DEBERO C[NH2+]C1CC(Oc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000133712397 186009365 /nfs/dbraw/zinc/00/93/65/186009365.db2.gz AAWDMSBYHZDGNY-UHFFFAOYSA-N 1 0 301.140 2.487 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171454690 186162467 /nfs/dbraw/zinc/16/24/67/186162467.db2.gz NIOWZLYMDOUOFM-AWEZNQCLSA-N 1 0 303.362 2.214 10 5 DEBERO O=[N+]([O-])c1cc(Cl)c(OC[C@@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000080745235 192187015 /nfs/dbraw/zinc/18/70/15/192187015.db2.gz AQKQMQOIWKAYDJ-QMMMGPOBSA-N 1 0 307.133 2.269 10 5 DEBERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000236904565 202062809 /nfs/dbraw/zinc/06/28/09/202062809.db2.gz FXXMMFLITBGJDB-LKFCYVNXSA-N 1 0 317.349 2.297 10 5 DEBERO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000180227919 199133122 /nfs/dbraw/zinc/13/31/22/199133122.db2.gz PRQQNWWEZBAIKB-RHSMWYFYSA-N 1 0 319.405 2.056 10 5 DEBERO Cc1ccc(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000180227899 199133714 /nfs/dbraw/zinc/13/37/14/199133714.db2.gz PRQQNWWEZBAIKB-WMLDXEAASA-N 1 0 319.405 2.056 10 5 DEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC(=O)N(C)CC1 ZINC000597213357 358856014 /nfs/dbraw/zinc/85/60/14/358856014.db2.gz ARQPHFFUSMGTRR-JLHYYAGUSA-N 1 0 303.362 2.162 10 5 DEBERO O=[N+]([O-])c1cc(Br)cnc1OCC[NH+]1CCCC1 ZINC000042389934 183263449 /nfs/dbraw/zinc/26/34/49/183263449.db2.gz LVXRLUIZDNGIAQ-UHFFFAOYSA-N 1 0 316.155 2.227 10 5 DEBERO CCOCC[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000106110908 194187436 /nfs/dbraw/zinc/18/74/36/194187436.db2.gz GIHNEJRQXUYHIB-LBPRGKRZSA-N 1 0 313.423 2.199 10 5 DEBERO CCN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000111010478 194382007 /nfs/dbraw/zinc/38/20/07/194382007.db2.gz NCPMKSKWPIHSGA-SNVBAGLBSA-N 1 0 311.769 2.462 10 5 DEBERO COc1ccc([N+](=O)[O-])cc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000061041380 184161130 /nfs/dbraw/zinc/16/11/30/184161130.db2.gz PLWHHAUSDRLLOA-UHFFFAOYSA-N 1 0 305.378 2.274 10 5 DEBERO O=[N+]([O-])c1cc(C[NH2+]C2CCS(=O)CC2)ccc1Cl ZINC000158132152 197246675 /nfs/dbraw/zinc/24/66/75/197246675.db2.gz RRGVRYOWCWIKIL-UHFFFAOYSA-N 1 0 302.783 2.249 10 5 DEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000297168208 404481247 /nfs/dbraw/zinc/48/12/47/404481247.db2.gz PHQVIJMBDWJSAM-JQWIXIFHSA-N 1 0 301.350 2.144 10 5 DEBERO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246832564 145116436 /nfs/dbraw/zinc/11/64/36/145116436.db2.gz CUNRGGGGMPKHLL-WFASDCNBSA-N 1 0 305.378 2.272 10 5 DEBERO CN(c1nc2cc([N+](=O)[O-])ccc2[nH]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262293316 145274386 /nfs/dbraw/zinc/27/43/86/145274386.db2.gz NMUDNAPZBCLUKH-DHHPTOIESA-N 1 0 301.350 2.190 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113222527 401770828 /nfs/dbraw/zinc/77/08/28/401770828.db2.gz XQAZQPHMQISOKS-JSGCOSHPSA-N 1 0 303.362 2.212 10 5 DEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000076479648 401795771 /nfs/dbraw/zinc/79/57/71/401795771.db2.gz OOILRQSSAGRLGB-IUODEOHRSA-N 1 0 305.378 2.397 10 5 DEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000076479802 401796097 /nfs/dbraw/zinc/79/60/97/401796097.db2.gz FZQSQWDQMZHZQZ-HIFRSBDPSA-N 1 0 319.405 2.326 10 5 DEBERO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000077421638 401814658 /nfs/dbraw/zinc/81/46/58/401814658.db2.gz FFTFHYGUIQPXCE-DTWKUNHWSA-N 1 0 317.183 2.464 10 5 DEBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000119439885 401950135 /nfs/dbraw/zinc/95/01/35/401950135.db2.gz MHTFFTXSENNNBB-GFCCVEGCSA-N 1 0 320.393 2.027 10 5 DEBERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000052551310 402043727 /nfs/dbraw/zinc/04/37/27/402043727.db2.gz LBGSYEIDGIWMOP-GXTWGEPZSA-N 1 0 320.393 2.439 10 5 DEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000122649255 402088966 /nfs/dbraw/zinc/08/89/66/402088966.db2.gz HLAJVAIKQZPGFJ-CJNGLKHVSA-N 1 0 319.405 2.326 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000124536329 402184410 /nfs/dbraw/zinc/18/44/10/402184410.db2.gz SQRQVRHCNLQDIT-UHFFFAOYSA-N 1 0 303.362 2.260 10 5 DEBERO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000124051632 402161032 /nfs/dbraw/zinc/16/10/32/402161032.db2.gz RZMLCRVSQSGBBN-DGCLKSJQSA-N 1 0 321.377 2.158 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000176985110 402356858 /nfs/dbraw/zinc/35/68/58/402356858.db2.gz SZTGKSDVVZMOFE-AWEZNQCLSA-N 1 0 305.378 2.460 10 5 DEBERO O=[N+]([O-])c1ccc2oc(CN3CC[N@@H+]4CCCC[C@@H]4C3)nc2c1 ZINC000177120468 402371606 /nfs/dbraw/zinc/37/16/06/402371606.db2.gz BQVXCJFVXBISAY-CYBMUJFWSA-N 1 0 316.361 2.406 10 5 DEBERO O=C(c1ccc([N+](=O)[O-])cc1F)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186531919 402439645 /nfs/dbraw/zinc/43/96/45/402439645.db2.gz XPCXTHIDVOMYDK-JTQLQIEISA-N 1 0 307.325 2.091 10 5 DEBERO CC[N@@H+]1CCC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000170639873 402509781 /nfs/dbraw/zinc/50/97/81/402509781.db2.gz PZUZGYOEESFWFW-GFCCVEGCSA-N 1 0 318.377 2.376 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000247073679 402556325 /nfs/dbraw/zinc/55/63/25/402556325.db2.gz YUEKGWPLTHANMZ-YPMHNXCESA-N 1 0 321.352 2.433 10 5 DEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247282772 402562685 /nfs/dbraw/zinc/56/26/85/402562685.db2.gz FZQSQWDQMZHZQZ-ZFWWWQNUSA-N 1 0 319.405 2.326 10 5 DEBERO Cc1c(C[N@@H+]2CCC[C@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000171705838 402612607 /nfs/dbraw/zinc/61/26/07/402612607.db2.gz JFMSNBFASLKOKZ-AWEZNQCLSA-N 1 0 301.350 2.332 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1[C@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000183947756 402807680 /nfs/dbraw/zinc/80/76/80/402807680.db2.gz MFXKWZSHNQYUFL-AWEZNQCLSA-N 1 0 322.328 2.349 10 5 DEBERO CS[C@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@H]1[NH+]1CCCC1 ZINC000445595535 405353351 /nfs/dbraw/zinc/35/33/51/405353351.db2.gz FUDLDAOUHKHHNJ-OLZOCXBDSA-N 1 0 308.407 2.006 10 5 DEBERO C[C@](C[NH3+])(Nc1ncc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000130459476 196084358 /nfs/dbraw/zinc/08/43/58/196084358.db2.gz NYKARRQTTDHYCN-LLVKDONJSA-N 1 0 315.171 2.292 10 5 DEBERO [NH3+]C/C=C/CNc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000131239639 196153113 /nfs/dbraw/zinc/15/31/13/196153113.db2.gz MPFAOFYCWPFXOZ-OWOJBTEDSA-N 1 0 304.119 2.423 10 5 DEBERO [NH3+]C[C@H]1CCCN1c1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000132014147 196218461 /nfs/dbraw/zinc/21/84/61/196218461.db2.gz VVRMPWKOAAXMHC-SSDOTTSWSA-N 1 0 318.146 2.424 10 5 DEBERO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000132052366 196222013 /nfs/dbraw/zinc/22/20/13/196222013.db2.gz DVCWRIPOLWQBOG-ZYHUDNBSSA-N 1 0 309.341 2.289 10 5 DEBERO CC[C@@H](C)[C@@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH2+]C ZINC000132787103 196283931 /nfs/dbraw/zinc/28/39/31/196283931.db2.gz HDWKDDQIJMBGQG-GHMZBOCLSA-N 1 0 300.380 2.003 10 5 DEBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](C)CC1 ZINC000184794912 275399766 /nfs/dbraw/zinc/39/97/66/275399766.db2.gz PSYRBKSMVASEIR-OUKQBFOZSA-N 1 0 303.362 2.162 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193922899 276183249 /nfs/dbraw/zinc/18/32/49/276183249.db2.gz RCVDNQRBLJHRRF-AWEZNQCLSA-N 1 0 322.365 2.419 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000245515214 281020639 /nfs/dbraw/zinc/02/06/39/281020639.db2.gz DGBNVYJTKYFAPJ-GDBMZVCRSA-N 1 0 319.405 2.371 10 5 DEBERO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000580368560 336260924 /nfs/dbraw/zinc/26/09/24/336260924.db2.gz UAQJMRYWKFTLGB-UTUOFQBUSA-N 1 0 309.366 2.325 10 5 DEBERO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000360514166 534899986 /nfs/dbraw/zinc/89/99/86/534899986.db2.gz GGOBXVWYYGOUJR-HNNXBMFYSA-N 1 0 305.378 2.394 10 5 DEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000247022136 536168046 /nfs/dbraw/zinc/16/80/46/536168046.db2.gz STEXFXVOZOUWNI-ZFWWWQNUSA-N 1 0 303.362 2.294 10 5 DEBERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000072966887 635332097 /nfs/dbraw/zinc/33/20/97/635332097.db2.gz SFZQAUYYTDNZKQ-OAHLLOKOSA-N 1 0 322.361 2.108 10 5 DEBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2(CCO)CCCCC2)c1 ZINC000750105655 638713226 /nfs/dbraw/zinc/71/32/26/638713226.db2.gz KNJFFAJELDHZIR-HNNXBMFYSA-N 1 0 308.378 2.303 10 5 DEBERO CC(C)(CO)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000037239054 683882207 /nfs/dbraw/zinc/88/22/07/683882207.db2.gz PSAIYTAHNQCAHE-UHFFFAOYSA-N 1 0 303.156 2.218 10 5 DEBERO CC[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000126725312 684156325 /nfs/dbraw/zinc/15/63/25/684156325.db2.gz AWBZNYUGESZDBG-KGLIPLIRSA-N 1 0 312.391 2.213 10 5 DEBERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000160426021 684328224 /nfs/dbraw/zinc/32/82/24/684328224.db2.gz MZVQGXXAZISKAI-JTQLQIEISA-N 1 0 311.769 2.414 10 5 DEBERO C[C@@H]1C[NH2+]C[C@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000723812515 777173407 /nfs/dbraw/zinc/17/34/07/777173407.db2.gz KYMXBCZPTSARBO-SFYZADRCSA-N 1 0 315.171 2.020 10 5 DEBERO C[C@H]1[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719622557 1089330356 /nfs/dbraw/zinc/33/03/56/1089330356.db2.gz GQJOAUIXFJVMPC-CBAPKCEASA-N 1 0 315.171 2.257 10 5 DEBERO CN(c1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000087834897 185232873 /nfs/dbraw/zinc/23/28/73/185232873.db2.gz NYLZGQFWPVILEP-SECBINFHSA-N 1 0 300.156 2.155 10 5 DEBERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000090699878 185310482 /nfs/dbraw/zinc/31/04/82/185310482.db2.gz HFJBPHDIIHSQLZ-GFCCVEGCSA-N 1 0 323.418 2.104 10 5 DEBERO CC[NH2+][C@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000083984794 192394446 /nfs/dbraw/zinc/39/44/46/192394446.db2.gz FRGFLVTVWZLUHK-CYBMUJFWSA-N 1 0 314.407 2.393 10 5 DEBERO [NH3+]C1CCC(OCCNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000149429029 186050149 /nfs/dbraw/zinc/05/01/49/186050149.db2.gz FQVYMORWDRROBE-UHFFFAOYSA-N 1 0 314.773 2.342 10 5 DEBERO C[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000155974725 186124428 /nfs/dbraw/zinc/12/44/28/186124428.db2.gz NCHPNVRTLNZLCD-JTQLQIEISA-N 1 0 311.769 2.462 10 5 DEBERO CC[N@@H+]1CC[C@H](N(C)c2nc3sccn3c2[N+](=O)[O-])[C@H](C)C1 ZINC000078332703 355254345 /nfs/dbraw/zinc/25/43/45/355254345.db2.gz DQHDGSVSSYOURK-MNOVXSKESA-N 1 0 323.422 2.471 10 5 DEBERO COC(=O)c1cc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000092672443 355645815 /nfs/dbraw/zinc/64/58/15/355645815.db2.gz OVCMXKRVNXVVOF-JQWIXIFHSA-N 1 0 319.361 2.419 10 5 DEBERO O=[N+]([O-])c1ccc(Nc2cnn(CC[NH+]3CCCCC3)c2)nc1 ZINC000092978297 355659248 /nfs/dbraw/zinc/65/92/48/355659248.db2.gz YYNAQOPMIJUWBL-UHFFFAOYSA-N 1 0 316.365 2.416 10 5 DEBERO Cc1c(Br)c(N[C@H](C)[C@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000381419131 356670832 /nfs/dbraw/zinc/67/08/32/356670832.db2.gz ADOHNAZOAZNYRP-NKWVEPMBSA-N 1 0 303.160 2.208 10 5 DEBERO CC1([NH3+])CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000591434699 357721542 /nfs/dbraw/zinc/72/15/42/357721542.db2.gz KKOULSHWOLMGTE-UHFFFAOYSA-N 1 0 315.171 2.070 10 5 DEBERO CC(=O)c1cc(NCCN(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596425659 358683793 /nfs/dbraw/zinc/68/37/93/358683793.db2.gz TXQCRMPTDHWSGW-UHFFFAOYSA-N 1 0 322.409 2.093 10 5 DEBERO C[C@@H]1CC[C@](CO)([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000187949765 200181597 /nfs/dbraw/zinc/18/15/97/200181597.db2.gz SRWQGXNXSCOFTO-KCXAZCMYSA-N 1 0 308.378 2.111 10 5 DEBERO CSc1cccc(C(=O)N2CC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000188128885 200198215 /nfs/dbraw/zinc/19/82/15/200198215.db2.gz YYDAZCVJUFWPBV-JTQLQIEISA-N 1 0 309.391 2.093 10 5 DEBERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000600952317 359870150 /nfs/dbraw/zinc/87/01/50/359870150.db2.gz VEPOJWLQRICVDH-DTWKUNHWSA-N 1 0 315.171 2.305 10 5 DEBERO C[NH+](C)CCCNC(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000007570417 181475512 /nfs/dbraw/zinc/47/55/12/181475512.db2.gz OUFNKPHVGQEUSU-UHFFFAOYSA-N 1 0 316.814 2.486 10 5 DEBERO CC(C)[C@@H](C[NH3+])Nc1ncc([N+](=O)[O-])cc1Br ZINC000093434405 193250867 /nfs/dbraw/zinc/25/08/67/193250867.db2.gz PHAOMTAFUZHFQY-SECBINFHSA-N 1 0 303.160 2.148 10 5 DEBERO [NH3+][C@@H]1CCC[C@H](Oc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093434611 193251666 /nfs/dbraw/zinc/25/16/66/193251666.db2.gz AAQQOIWIBZGOEK-APPZFPTMSA-N 1 0 316.155 2.401 10 5 DEBERO C[NH2+][C@@H]1CCC[C@@H]1CCS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000093623463 193275274 /nfs/dbraw/zinc/27/52/74/193275274.db2.gz OKTARZBRMQONCT-VXGBXAGGSA-N 1 0 312.391 2.147 10 5 DEBERO COC(=O)[C@]1([NH3+])CC[C@@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000093847803 193317890 /nfs/dbraw/zinc/31/78/90/193317890.db2.gz FQBFBYUFKSKTET-RNCFNFMXSA-N 1 0 314.725 2.050 10 5 DEBERO C[NH+]1CCN(CCNc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000097355865 193709922 /nfs/dbraw/zinc/70/99/22/193709922.db2.gz REPGXUHRKMBIIL-UHFFFAOYSA-N 1 0 316.764 2.047 10 5 DEBERO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000020563306 182232635 /nfs/dbraw/zinc/23/26/35/182232635.db2.gz OQVUPDOXDGETFI-LBPRGKRZSA-N 1 0 309.753 2.072 10 5 DEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000042585887 183288006 /nfs/dbraw/zinc/28/80/06/183288006.db2.gz SYLMJBHZVCJWGJ-LBPRGKRZSA-N 1 0 308.382 2.004 10 5 DEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000042585884 183288029 /nfs/dbraw/zinc/28/80/29/183288029.db2.gz SYLMJBHZVCJWGJ-GFCCVEGCSA-N 1 0 308.382 2.004 10 5 DEBERO CC[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000106116408 194186811 /nfs/dbraw/zinc/18/68/11/194186811.db2.gz PGFYHROIUPFRNS-OAHLLOKOSA-N 1 0 307.394 2.137 10 5 DEBERO C[NH2+]C(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000061316295 184168180 /nfs/dbraw/zinc/16/81/80/184168180.db2.gz CKRACECBHWLYLQ-UHFFFAOYSA-N 1 0 316.155 2.294 10 5 DEBERO CSc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000538318263 285032082 /nfs/dbraw/zinc/03/20/82/285032082.db2.gz ZXVCAFJBCLYLEW-UHFFFAOYSA-N 1 0 311.407 2.340 10 5 DEBERO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000262558311 285170788 /nfs/dbraw/zinc/17/07/88/285170788.db2.gz USAQKJPGOYDKET-RKDXNWHRSA-N 1 0 316.283 2.054 10 5 DEBERO O=[N+]([O-])c1cc(Br)cnc1OCC[C@@H]1CC[NH2+]C1 ZINC000122516485 195461592 /nfs/dbraw/zinc/46/15/92/195461592.db2.gz ZWPJOQLXBBEBNJ-QMMMGPOBSA-N 1 0 316.155 2.131 10 5 DEBERO O=[N+]([O-])c1cnc(OCC[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000122532625 195464523 /nfs/dbraw/zinc/46/45/23/195464523.db2.gz NOWWBCHTGJRWHG-MRVPVSSYSA-N 1 0 316.155 2.131 10 5 DEBERO CCO[C@@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C12CCCC2 ZINC000174872890 132511096 /nfs/dbraw/zinc/51/10/96/132511096.db2.gz MYZKFGVEZKXSHM-HUUCEWRRSA-N 1 0 322.409 2.461 10 5 DEBERO Cc1c(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246415698 145102107 /nfs/dbraw/zinc/10/21/07/145102107.db2.gz KGJLFOHKAJDABL-GUYCJALGSA-N 1 0 319.405 2.056 10 5 DEBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000261701390 145218371 /nfs/dbraw/zinc/21/83/71/145218371.db2.gz TVLILHQTULWUIJ-HFZWIWRYSA-N 1 0 317.389 2.160 10 5 DEBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261804851 145228228 /nfs/dbraw/zinc/22/82/28/145228228.db2.gz JCBSNWXVFBUGSJ-HFZWIWRYSA-N 1 0 317.389 2.160 10 5 DEBERO Cn1cc([C@H]2CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000116319222 401849082 /nfs/dbraw/zinc/84/90/82/401849082.db2.gz HXPFLNGGIRVHKW-ZDUSSCGKSA-N 1 0 316.361 2.197 10 5 DEBERO CC[NH+](CC)[C@H](C)CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000122783335 402094423 /nfs/dbraw/zinc/09/44/23/402094423.db2.gz WWGNPEHCGBMTAN-GFCCVEGCSA-N 1 0 307.394 2.292 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000176975670 402355982 /nfs/dbraw/zinc/35/59/82/402355982.db2.gz NMXWAXHDJBJRNP-LBPRGKRZSA-N 1 0 309.341 2.290 10 5 DEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000162073829 402408536 /nfs/dbraw/zinc/40/85/36/402408536.db2.gz LBFIHIPWLHMMOP-CYBMUJFWSA-N 1 0 320.393 2.006 10 5 DEBERO C[C@H]1CC[C@](CO)([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000187983120 402514425 /nfs/dbraw/zinc/51/44/25/402514425.db2.gz LFAGCWIEMLJHLY-BBRMVZONSA-N 1 0 308.378 2.457 10 5 DEBERO CSc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000170861027 402534345 /nfs/dbraw/zinc/53/43/45/402534345.db2.gz CVEBQQDBRVUJBY-LLVKDONJSA-N 1 0 309.391 2.093 10 5 DEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000174970215 402768008 /nfs/dbraw/zinc/76/80/08/402768008.db2.gz BJYLLZKYDPQCFV-GOEBONIOSA-N 1 0 317.389 2.223 10 5 DEBERO [NH3+][C@@H]1CCC[C@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000262323886 402724605 /nfs/dbraw/zinc/72/46/05/402724605.db2.gz RLOVKJVZGZPJND-ZMLRMANQSA-N 1 0 301.350 2.035 10 5 DEBERO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195091933 402830927 /nfs/dbraw/zinc/83/09/27/402830927.db2.gz WOJKYSBIPWHOEL-FSNWXROXSA-N 1 0 315.373 2.305 10 5 DEBERO C[C@H]1C[C@H](N(C)c2nc3sccn3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000266275144 402968118 /nfs/dbraw/zinc/96/81/18/402968118.db2.gz RUOLRDNGFPXTKL-VHSXEESVSA-N 1 0 309.395 2.223 10 5 DEBERO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCO[C@@H](C[NH+](C)C)C1 ZINC000277857099 403264403 /nfs/dbraw/zinc/26/44/03/403264403.db2.gz UAIZSAJRPVVRTJ-LBPRGKRZSA-N 1 0 313.785 2.323 10 5 DEBERO Cn1cc([C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)[NH+](C)C)cn1 ZINC000301268254 403608612 /nfs/dbraw/zinc/60/86/12/403608612.db2.gz IRYBDIDWCLSUJN-GFCCVEGCSA-N 1 0 324.772 2.092 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186541419 292291945 /nfs/dbraw/zinc/29/19/45/292291945.db2.gz QLQQDENSWDKVAQ-GFCCVEGCSA-N 1 0 303.362 2.260 10 5 DEBERO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000408208014 405139019 /nfs/dbraw/zinc/13/90/19/405139019.db2.gz KFPADPGDNHQJCL-HZMBPMFUSA-N 1 0 322.340 2.292 10 5 DEBERO CCc1cc([N+](=O)[O-])cc(I)c1C[NH3+] ZINC000575725847 406825476 /nfs/dbraw/zinc/82/54/76/406825476.db2.gz OEYUKNOVEGDVJN-UHFFFAOYSA-N 1 0 306.103 2.221 10 5 DEBERO C[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173432936 287035063 /nfs/dbraw/zinc/03/50/63/287035063.db2.gz ONONCMFRACQHFP-UONOGXRCSA-N 1 0 307.394 2.214 10 5 DEBERO [NH3+]C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1Br ZINC000132004044 196217778 /nfs/dbraw/zinc/21/77/78/196217778.db2.gz WLDODEZBHXNGBU-SECBINFHSA-N 1 0 300.156 2.285 10 5 DEBERO C[C@@H]1C[C@@H]([NH3+])CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000132148075 196230402 /nfs/dbraw/zinc/23/04/02/196230402.db2.gz NLBGTICGRTZMEA-SFYZADRCSA-N 1 0 315.171 2.068 10 5 DEBERO C[C@H]1C[N@H+](C)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000134528487 196399584 /nfs/dbraw/zinc/39/95/84/196399584.db2.gz KQNKXKMPCSTHSU-ZANVPECISA-N 1 0 311.769 2.318 10 5 DEBERO [NH3+][C@H]1CCCC[C@H]1Oc1ncc([N+](=O)[O-])cc1Br ZINC000136468864 196537888 /nfs/dbraw/zinc/53/78/88/196537888.db2.gz IXNITLNAOAZWGJ-VHSXEESVSA-N 1 0 316.155 2.401 10 5 DEBERO Cc1cc(N2C[C@@H](C)[C@H]([NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000300487598 268822277 /nfs/dbraw/zinc/82/22/77/268822277.db2.gz LJKHDLRTQVHNCZ-PSASIEDQSA-N 1 0 314.183 2.449 10 5 DEBERO CN(C[C@H]1CCCC[NH2+]1)c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC000095070831 273849307 /nfs/dbraw/zinc/84/93/07/273849307.db2.gz DMNHUZMIVMFGAD-LLVKDONJSA-N 1 0 301.350 2.116 10 5 DEBERO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000262558310 275040706 /nfs/dbraw/zinc/04/07/06/275040706.db2.gz USAQKJPGOYDKET-IUCAKERBSA-N 1 0 316.283 2.054 10 5 DEBERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000095752517 275520014 /nfs/dbraw/zinc/52/00/14/275520014.db2.gz YKMPYFVMEXGUCS-ZDUSSCGKSA-N 1 0 321.377 2.346 10 5 DEBERO C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[N@H+](C)C1CC1 ZINC000068196108 279344832 /nfs/dbraw/zinc/34/48/32/279344832.db2.gz ULRIIURASGWBTA-SNVBAGLBSA-N 1 0 316.361 2.289 10 5 DEBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000247404862 535256515 /nfs/dbraw/zinc/25/65/15/535256515.db2.gz RHRQVZYFGHOYJC-CZUORRHYSA-N 1 0 319.405 2.372 10 5 DEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000153249781 647397601 /nfs/dbraw/zinc/39/76/01/647397601.db2.gz XHNKOGYFLCSIFT-SWLSCSKDSA-N 1 0 315.377 2.071 10 5 DEBERO C[C@@H]1C[C@H](N(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000154404392 648003288 /nfs/dbraw/zinc/00/32/88/648003288.db2.gz XYWVZIWRVQZZHJ-XPKDYRNWSA-N 1 0 307.394 2.043 10 5 DEBERO Cc1csc([C@@H]2CCCN(Cn3nccc3[N+](=O)[O-])C2)n1 ZINC000195305366 685093461 /nfs/dbraw/zinc/09/34/61/685093461.db2.gz DRGYVDWBWJSPLG-LLVKDONJSA-N 1 0 307.379 2.393 10 5 DEBERO C[N@+]1(C[C@@H](O)COc2ccccc2)C=C(Br)C=N1 ZINC001082760115 717195925 /nfs/dbraw/zinc/19/59/25/717195925.db2.gz UHBUUEWETPAUFU-MLGOLLRUSA-N 1 0 312.187 2.109 10 5 DEBERO NC(=O)C1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000050443599 797555670 /nfs/dbraw/zinc/55/56/70/797555670.db2.gz GSTYRLLEUMPXOC-UHFFFAOYSA-N 1 0 311.769 2.382 10 5 DEBERO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCN3CCSC[C@H]23)cs1 ZINC000720410060 1089724560 /nfs/dbraw/zinc/72/45/60/1089724560.db2.gz HZAZXFNSGLRZNH-NWDGAFQWSA-N 1 0 313.448 2.326 10 5 DEBERO Cc1nc2cc(N3C[C@@H]4C[NH2+]C[C@H]4C3)c([N+](=O)[O-])cc2s1 ZINC000090322970 185291110 /nfs/dbraw/zinc/29/11/10/185291110.db2.gz YHLVYYOFZLKOHP-UWVGGRQHSA-N 1 0 304.375 2.169 10 5 DEBERO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCCCO1 ZINC000090554124 185302930 /nfs/dbraw/zinc/30/29/30/185302930.db2.gz UBFVUUWACCLLOY-HNNXBMFYSA-N 1 0 323.393 2.038 10 5 DEBERO CNc1cc[nH+]c(Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000092419736 185317182 /nfs/dbraw/zinc/31/71/82/185317182.db2.gz FKYNSNPJGUMUPN-UHFFFAOYSA-N 1 0 312.127 2.039 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)CCS(C)(=O)=O ZINC000183510402 282242838 /nfs/dbraw/zinc/24/28/38/282242838.db2.gz FUTLFINQDOLAIX-UHFFFAOYSA-N 1 0 314.407 2.206 10 5 DEBERO C[C@H](C[C@@H]1COCC[NH2+]1)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000133691204 186007713 /nfs/dbraw/zinc/00/77/13/186007713.db2.gz PMHORLZWMSHRIS-RKDXNWHRSA-N 1 0 301.293 2.052 10 5 DEBERO O=C(CCc1cccc([N+](=O)[O-])c1)NCC[C@@H]1CCC[NH2+]C1 ZINC000152629278 186092095 /nfs/dbraw/zinc/09/20/95/186092095.db2.gz UTUVGFHMGMLWFC-AWEZNQCLSA-N 1 0 305.378 2.033 10 5 DEBERO CCSCCC[NH2+]C[C@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000169346436 355978920 /nfs/dbraw/zinc/97/89/20/355978920.db2.gz SLZQNTOPESLEKY-ZDUSSCGKSA-N 1 0 314.407 2.067 10 5 DEBERO C[C@@H]([NH3+])C[C@H](C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000320790948 356447098 /nfs/dbraw/zinc/44/70/98/356447098.db2.gz FYODPNNCJPUYEN-RQJHMYQMSA-N 1 0 303.160 2.290 10 5 DEBERO [NH3+]C1(CNc2ncc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000594694439 358320651 /nfs/dbraw/zinc/32/06/51/358320651.db2.gz QHUNUPCSXZWOPW-UHFFFAOYSA-N 1 0 315.171 2.436 10 5 DEBERO C[C@H]1CC[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C[NH2+]1 ZINC000600955302 359870772 /nfs/dbraw/zinc/87/07/72/359870772.db2.gz LYGBVAGFPFSDPT-IONNQARKSA-N 1 0 315.171 2.305 10 5 DEBERO COCC[N@H+](C)CCCNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000189429516 200399714 /nfs/dbraw/zinc/39/97/14/200399714.db2.gz WRRBOSLYFUVXEX-UHFFFAOYSA-N 1 0 315.345 2.123 10 5 DEBERO CC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545423 243100458 /nfs/dbraw/zinc/10/04/58/243100458.db2.gz HGQMCZDUTFSAGC-GDBMZVCRSA-N 1 0 306.362 2.114 10 5 DEBERO C[NH2+][C@@H]1CCC[C@H]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000093623445 193275040 /nfs/dbraw/zinc/27/50/40/193275040.db2.gz ZXYVFHPZRIQFHJ-SMDDNHRTSA-N 1 0 312.391 2.147 10 5 DEBERO Cc1cc(Br)cc([N+](=O)[O-])c1OCCC(N)=[NH2+] ZINC000094296594 193356571 /nfs/dbraw/zinc/35/65/71/193356571.db2.gz BNWMUZCKXNFWMG-UHFFFAOYSA-N 1 0 302.128 2.371 10 5 DEBERO C[NH2+][C@@H]1[C@@H](S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1(C)C ZINC000094311261 193358733 /nfs/dbraw/zinc/35/87/33/193358733.db2.gz WYLKZVYVOODWNP-QWHCGFSZSA-N 1 0 312.391 2.145 10 5 DEBERO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([NH+]2CCCC2)CC1 ZINC000104405225 194004796 /nfs/dbraw/zinc/00/47/96/194004796.db2.gz POMWAAGMAPYBEP-UHFFFAOYSA-N 1 0 321.352 2.434 10 5 DEBERO O=C(C[NH2+]C1CC1)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159433841 197353226 /nfs/dbraw/zinc/35/32/26/197353226.db2.gz UKICGPLJQVXFCL-UHFFFAOYSA-N 1 0 314.139 2.048 10 5 DEBERO C[NH2+]C[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159432857 197353274 /nfs/dbraw/zinc/35/32/74/197353274.db2.gz LYESLXAEVAOAPP-ZETCQYMHSA-N 1 0 316.155 2.151 10 5 DEBERO C[C@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010051 194381843 /nfs/dbraw/zinc/38/18/43/194381843.db2.gz KQVDIFVHTHQXHF-AUTRQRHGSA-N 1 0 309.753 2.071 10 5 DEBERO COc1ccc(CN2CCC[N@@H+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000061040871 184160245 /nfs/dbraw/zinc/16/02/45/184160245.db2.gz DSQTZYRGHAPCOF-UHFFFAOYSA-N 1 0 305.378 2.274 10 5 DEBERO [NH3+][C@H]1CCC[C@@H]1Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000063176519 184276523 /nfs/dbraw/zinc/27/65/23/184276523.db2.gz NMKPAPZVFXHDIP-YUMQZZPRSA-N 1 0 301.144 2.044 10 5 DEBERO [NH3+][C@H]1CCC[C@H]1Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000063176517 184276754 /nfs/dbraw/zinc/27/67/54/184276754.db2.gz NMKPAPZVFXHDIP-JGVFFNPUSA-N 1 0 301.144 2.044 10 5 DEBERO O=[N+]([O-])c1ccc(Br)cc1N1CCC[NH2+]CC1 ZINC000087833884 285109786 /nfs/dbraw/zinc/10/97/86/285109786.db2.gz STJJFRPZPLXKNS-UHFFFAOYSA-N 1 0 300.156 2.157 10 5 DEBERO C[NH2+][C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000158795096 197301976 /nfs/dbraw/zinc/30/19/76/197301976.db2.gz DEJAPVACQWGOBS-AWEZNQCLSA-N 1 0 312.391 2.147 10 5 DEBERO C[C@H](O)CC[NH2+]Cc1cc(Br)ccc1[N+](=O)[O-] ZINC000121167337 195301804 /nfs/dbraw/zinc/30/18/04/195301804.db2.gz FKRSLIGJLPAEEK-QMMMGPOBSA-N 1 0 303.156 2.218 10 5 DEBERO CCC[NH2+][C@@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000124142882 195608217 /nfs/dbraw/zinc/60/82/17/195608217.db2.gz CZWVKEKUMZZLNX-LBPRGKRZSA-N 1 0 314.407 2.393 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246207219 145094809 /nfs/dbraw/zinc/09/48/09/145094809.db2.gz YHRIRDMPVMKPJX-HYVNUMGLSA-N 1 0 319.405 2.187 10 5 DEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247346590 145134188 /nfs/dbraw/zinc/13/41/88/145134188.db2.gz JKNCIKISEPIEGJ-JQWIXIFHSA-N 1 0 311.407 2.459 10 5 DEBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000262560294 145293067 /nfs/dbraw/zinc/29/30/67/145293067.db2.gz VEYGOBJNNKVYBF-AWEZNQCLSA-N 1 0 305.378 2.331 10 5 DEBERO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000128481909 401778804 /nfs/dbraw/zinc/77/88/04/401778804.db2.gz QCRFOHFZQJBQED-MRXNPFEDSA-N 1 0 317.389 2.224 10 5 DEBERO Cn1cc([C@@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000116315783 401849342 /nfs/dbraw/zinc/84/93/42/401849342.db2.gz SFGKWRVFRZIMAT-CYBMUJFWSA-N 1 0 316.361 2.197 10 5 DEBERO CC(=O)c1ccc(N2CCC[N@@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000057857773 402097925 /nfs/dbraw/zinc/09/79/25/402097925.db2.gz LPYISLRIEYBVKA-UHFFFAOYSA-N 1 0 303.362 2.472 10 5 DEBERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070070013 402256733 /nfs/dbraw/zinc/25/67/33/402256733.db2.gz UZARJFLDKPJTHD-JTQLQIEISA-N 1 0 311.769 2.272 10 5 DEBERO C[NH2+]CCN(C)c1cc(C)c([N+](=O)[O-])cc1Br ZINC000234371788 402359813 /nfs/dbraw/zinc/35/98/13/402359813.db2.gz VBVWMPJDCIKQJE-UHFFFAOYSA-N 1 0 302.172 2.321 10 5 DEBERO CC[C@@H](NC(=O)N(C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000176704779 402330149 /nfs/dbraw/zinc/33/01/49/402330149.db2.gz NFSMDEQRMWSYCZ-CQSZACIVSA-N 1 0 308.382 2.249 10 5 DEBERO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000176741667 402332977 /nfs/dbraw/zinc/33/29/77/402332977.db2.gz ORSSLKIRCAVKKK-TZMCWYRMSA-N 1 0 320.393 2.310 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000180838314 402627596 /nfs/dbraw/zinc/62/75/96/402627596.db2.gz YHRIRDMPVMKPJX-OIISXLGYSA-N 1 0 319.405 2.187 10 5 DEBERO COC[C@](C)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182225820 402673949 /nfs/dbraw/zinc/67/39/49/402673949.db2.gz KFLXLUFMXIBFKC-ZDUSSCGKSA-N 1 0 302.758 2.125 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183161748 402743787 /nfs/dbraw/zinc/74/37/87/402743787.db2.gz WSQWUCWVGVGKPG-WFASDCNBSA-N 1 0 321.377 2.389 10 5 DEBERO COc1ccc(C[C@](C)([NH3+])CNc2ccc([N+](=O)[O-])nc2)cc1 ZINC000450401273 405878610 /nfs/dbraw/zinc/87/86/10/405878610.db2.gz HYBKVCKAFRHCKY-INIZCTEOSA-N 1 0 316.361 2.370 10 5 DEBERO C[NH2+][C@H]1CCN(c2cc(F)c(Br)cc2[N+](=O)[O-])C1 ZINC000129139931 196022740 /nfs/dbraw/zinc/02/27/40/196022740.db2.gz PBBUYYNGJCETFV-ZETCQYMHSA-N 1 0 318.146 2.295 10 5 DEBERO C[NH+](C)CC1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000129682127 196067361 /nfs/dbraw/zinc/06/73/61/196067361.db2.gz TXKHMBJKWFPOAO-UHFFFAOYSA-N 1 0 305.378 2.445 10 5 DEBERO C[C@@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@H](C[NH3+])C1 ZINC000261760409 274304815 /nfs/dbraw/zinc/30/48/15/274304815.db2.gz UXIUOCAQILBGHT-BDAKNGLRSA-N 1 0 307.379 2.163 10 5 DEBERO CC[N@@H+]1CC[C@H]2OCCN(c3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000292680551 276236097 /nfs/dbraw/zinc/23/60/97/276236097.db2.gz DOVAXQAMWJDGSI-LSDHHAIUSA-N 1 0 309.341 2.033 10 5 DEBERO C[N@@H+]1CCO[C@@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000285085208 277121448 /nfs/dbraw/zinc/12/14/48/277121448.db2.gz PXBKUUZXHDPAEI-ZIAGYGMSSA-N 1 0 311.769 2.158 10 5 DEBERO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163421005 277223402 /nfs/dbraw/zinc/22/34/02/277223402.db2.gz QTBRAEOZHCNQLO-BBRMVZONSA-N 1 0 307.394 2.356 10 5 DEBERO C[C@@H]1C[NH+](C[C@H]2CCCN2c2ccc([N+](=O)[O-])nc2)C[C@@H](C)O1 ZINC000450457324 278769837 /nfs/dbraw/zinc/76/98/37/278769837.db2.gz RPRITGBZEXAZKL-UMVBOHGHSA-N 1 0 320.393 2.068 10 5 DEBERO O=[N+]([O-])c1ccc(CO)cc1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000302024315 534881680 /nfs/dbraw/zinc/88/16/80/534881680.db2.gz HAVPVKPZOYLNOO-ZNMIVQPWSA-N 1 0 317.389 2.008 10 5 DEBERO COC[C@@]1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261897318 636700661 /nfs/dbraw/zinc/70/06/61/636700661.db2.gz OMAWAXWRKPJWAZ-INIZCTEOSA-N 1 0 316.361 2.324 10 5 DEBERO C[C@@H](CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[S@](C)=O ZINC000229797333 646702609 /nfs/dbraw/zinc/70/26/09/646702609.db2.gz IJRLURZTTFSUDN-UGZDLDLSSA-N 1 0 304.799 2.495 10 5 DEBERO CCC[C@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000081902687 192337297 /nfs/dbraw/zinc/33/72/97/192337297.db2.gz BTACREVTTPPSTM-FZMZJTMJSA-N 1 0 314.407 2.459 10 5 DEBERO COC[C@@H]([NH3+])CCc1ccc(Br)cc1[N+](=O)[O-] ZINC000162318936 197559548 /nfs/dbraw/zinc/55/95/48/197559548.db2.gz CKOTZDPZTTYMGH-JTQLQIEISA-N 1 0 303.156 2.264 10 5 DEBERO CC[C@H]1CC[C@H]([NH3+])[C@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000081941958 192344591 /nfs/dbraw/zinc/34/45/91/192344591.db2.gz YPRGWEZJQHNGRJ-LEWSCRJBSA-N 1 0 312.391 2.275 10 5 DEBERO CC[NH2+]CCCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000165810639 197682125 /nfs/dbraw/zinc/68/21/25/197682125.db2.gz BMNVAUNKIHZKAF-UHFFFAOYSA-N 1 0 317.187 2.472 10 5 DEBERO CC[NH2+]CCc1nnc(-c2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000088822881 185266545 /nfs/dbraw/zinc/26/65/45/185266545.db2.gz ABRUQGGUYPJJJA-UHFFFAOYSA-N 1 0 308.363 2.274 10 5 DEBERO C[C@H](O)c1cc([N+](=O)[O-])c(N2CCC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000167510493 197709697 /nfs/dbraw/zinc/70/96/97/197709697.db2.gz XYMPAUGDJGAVRV-WDEREUQCSA-N 1 0 311.407 2.384 10 5 DEBERO C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000123732744 185837672 /nfs/dbraw/zinc/83/76/72/185837672.db2.gz ZRZVQOKRCKWLRO-RNCFNFMXSA-N 1 0 311.769 2.270 10 5 DEBERO [NH3+]Cc1ccc([N+](=O)[O-])c(OCc2cn3ccsc3n2)c1 ZINC000148644062 186045856 /nfs/dbraw/zinc/04/58/56/186045856.db2.gz PFPBXACORNMBIF-UHFFFAOYSA-N 1 0 304.331 2.342 10 5 DEBERO O=C(CCc1cccc([N+](=O)[O-])c1)NCC[C@H]1CCC[NH2+]C1 ZINC000152629378 186091769 /nfs/dbraw/zinc/09/17/69/186091769.db2.gz UTUVGFHMGMLWFC-CQSZACIVSA-N 1 0 305.378 2.033 10 5 DEBERO COc1ccc(OCC[NH+]2CCC([C@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000173727217 198244814 /nfs/dbraw/zinc/24/48/14/198244814.db2.gz ZLQNFYDFAFJUCT-LBPRGKRZSA-N 1 0 324.377 2.075 10 5 DEBERO COC(=O)c1cc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000092672441 355645730 /nfs/dbraw/zinc/64/57/30/355645730.db2.gz OVCMXKRVNXVVOF-PWSUYJOCSA-N 1 0 319.361 2.419 10 5 DEBERO CC[NH+](CC)CCn1nc(-c2ccc([N+](=O)[O-])cc2)ccc1=O ZINC000005400657 181239283 /nfs/dbraw/zinc/23/92/83/181239283.db2.gz KLWVVMACQJUWSS-UHFFFAOYSA-N 1 0 316.361 2.160 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000183308686 356166913 /nfs/dbraw/zinc/16/69/13/356166913.db2.gz OKVDNSIVRHRCJS-CYBMUJFWSA-N 1 0 305.378 2.381 10 5 DEBERO C[C@@H]([NH3+])C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000320790947 356447099 /nfs/dbraw/zinc/44/70/99/356447099.db2.gz FYODPNNCJPUYEN-RNFRBKRXSA-N 1 0 303.160 2.290 10 5 DEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000598991073 359378443 /nfs/dbraw/zinc/37/84/43/359378443.db2.gz UNKJSAAHRPVKNZ-VGQMVEDTSA-N 1 0 306.362 2.128 10 5 DEBERO Cc1c(NC(=O)CC[N@@H+](C)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000187829498 200163206 /nfs/dbraw/zinc/16/32/06/200163206.db2.gz WBSYOIXYWXUEBT-ZDUSSCGKSA-N 1 0 321.377 2.343 10 5 DEBERO COc1cc(CN2CCC([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000091670276 193089197 /nfs/dbraw/zinc/08/91/97/193089197.db2.gz VODOTGKQAWFKBM-UHFFFAOYSA-N 1 0 323.393 2.138 10 5 DEBERO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000092133846 193166475 /nfs/dbraw/zinc/16/64/75/193166475.db2.gz XZEUVWVNOCMZTJ-SSDOTTSWSA-N 1 0 305.256 2.408 10 5 DEBERO CC(C)[C@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1Br ZINC000093434387 193250918 /nfs/dbraw/zinc/25/09/18/193250918.db2.gz RXHIPIZXTGHOMM-SECBINFHSA-N 1 0 303.160 2.148 10 5 DEBERO [NH3+][C@@H]1CC[C@@H](Oc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093434606 193251209 /nfs/dbraw/zinc/25/12/09/193251209.db2.gz XLWFYQRUPYLERV-HTRCEHHLSA-N 1 0 302.128 2.011 10 5 DEBERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000040690995 183118607 /nfs/dbraw/zinc/11/86/07/183118607.db2.gz HYADIXPVCSHRNV-LLVKDONJSA-N 1 0 311.769 2.462 10 5 DEBERO CC[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000105836996 194144262 /nfs/dbraw/zinc/14/42/62/194144262.db2.gz PHCNQYJZIXLMBY-MRXNPFEDSA-N 1 0 321.421 2.180 10 5 DEBERO O=C(c1csc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000063188781 184277330 /nfs/dbraw/zinc/27/73/30/184277330.db2.gz KMUQDPPSQVIOGQ-VXGBXAGGSA-N 1 0 309.391 2.403 10 5 DEBERO [NH3+][C@@H]1CCC[C@H]1Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000063176521 184276876 /nfs/dbraw/zinc/27/68/76/184276876.db2.gz NMKPAPZVFXHDIP-HTQZYQBOSA-N 1 0 301.144 2.044 10 5 DEBERO [NH3+]C1CCN(c2cc(Br)c(F)cc2[N+](=O)[O-])CC1 ZINC000158740476 197298127 /nfs/dbraw/zinc/29/81/27/197298127.db2.gz PXWLHCMMDOVMQW-UHFFFAOYSA-N 1 0 318.146 2.424 10 5 DEBERO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cccc(Cl)c1[N+](=O)[O-] ZINC000155969677 197077185 /nfs/dbraw/zinc/07/71/85/197077185.db2.gz CFTPRHZETHGGBK-GFCCVEGCSA-N 1 0 309.753 2.072 10 5 DEBERO CC[C@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000120706322 195219991 /nfs/dbraw/zinc/21/99/91/195219991.db2.gz ALUKFQZCJFCRSG-ZBFHGGJFSA-N 1 0 321.421 2.180 10 5 DEBERO COc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000194450839 533394047 /nfs/dbraw/zinc/39/40/47/533394047.db2.gz LFJLUEDZGQLTLD-VXGBXAGGSA-N 1 0 321.377 2.158 10 5 DEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(CCO)CCOC1 ZINC000344984513 404485024 /nfs/dbraw/zinc/48/50/24/404485024.db2.gz RFNMAYSUCNDTEO-RKCSUWQLSA-N 1 0 320.389 2.377 10 5 DEBERO CC[NH2+]Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000261596436 145208964 /nfs/dbraw/zinc/20/89/64/145208964.db2.gz AFXMIMDYPDQLEW-UHFFFAOYSA-N 1 0 302.334 2.295 10 5 DEBERO CCOc1ccc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1[N+](=O)[O-] ZINC000261728600 145220584 /nfs/dbraw/zinc/22/05/84/145220584.db2.gz CSUKJYGSRITCPN-CQSZACIVSA-N 1 0 321.377 2.193 10 5 DEBERO Cc1c(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cccc1[N+](=O)[O-] ZINC000261894037 145238817 /nfs/dbraw/zinc/23/88/17/145238817.db2.gz ODAKJWRMSBJAFA-QEJZJMRPSA-N 1 0 317.389 2.440 10 5 DEBERO Cc1ccc([C@@H](C)NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262332693 145277157 /nfs/dbraw/zinc/27/71/57/145277157.db2.gz FQVJSXKQVLWXBY-SCRDCRAPSA-N 1 0 305.378 2.469 10 5 DEBERO O=[N+]([O-])c1cnccc1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336712159 145396238 /nfs/dbraw/zinc/39/62/38/145396238.db2.gz MAOZLQMHFXINKK-OAHLLOKOSA-N 1 0 312.373 2.346 10 5 DEBERO O=[N+]([O-])c1cnccc1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000358923424 147231360 /nfs/dbraw/zinc/23/13/60/147231360.db2.gz VJGYHCWXXNCSDY-OAHLLOKOSA-N 1 0 312.373 2.488 10 5 DEBERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000112982473 401763784 /nfs/dbraw/zinc/76/37/84/401763784.db2.gz ZILGXVDQOWWETH-INIZCTEOSA-N 1 0 319.405 2.470 10 5 DEBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000186053053 402398263 /nfs/dbraw/zinc/39/82/63/402398263.db2.gz QJFKMBNULCVQJL-SICOMBFOSA-N 1 0 315.373 2.305 10 5 DEBERO CCO[C@H]1C[C@@](CO)([NH2+]Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000186580212 402443893 /nfs/dbraw/zinc/44/38/93/402443893.db2.gz XBMAMFGQZOVWPX-FZMZJTMJSA-N 1 0 314.407 2.312 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178582232 402514522 /nfs/dbraw/zinc/51/45/22/402514522.db2.gz PEBDWTIIESMADA-CVEARBPZSA-N 1 0 307.394 2.044 10 5 DEBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178475404 402502749 /nfs/dbraw/zinc/50/27/49/402502749.db2.gz JGCFJCAGSWLMJK-CABCVRRESA-N 1 0 319.405 2.310 10 5 DEBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170857371 402533648 /nfs/dbraw/zinc/53/36/48/402533648.db2.gz XBECFJLBICBGBB-JTQLQIEISA-N 1 0 309.391 2.093 10 5 DEBERO CC[C@@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000252353347 402652636 /nfs/dbraw/zinc/65/26/36/402652636.db2.gz WUOBVLSETJGSAG-OFQRWUPVSA-N 1 0 321.421 2.433 10 5 DEBERO COC[C@@](C)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182225802 402674170 /nfs/dbraw/zinc/67/41/70/402674170.db2.gz KFLXLUFMXIBFKC-CYBMUJFWSA-N 1 0 302.758 2.125 10 5 DEBERO C[C@H]1C[C@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000174393240 402738981 /nfs/dbraw/zinc/73/89/81/402738981.db2.gz KHWGOGPGICFQMU-GXTWGEPZSA-N 1 0 320.393 2.219 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1CN(CCS(C)(=O)=O)C(C)C ZINC000183373045 402761074 /nfs/dbraw/zinc/76/10/74/402761074.db2.gz MHUVBNANPDBWGU-UHFFFAOYSA-N 1 0 314.407 2.158 10 5 DEBERO Nc1ccc([N+](=O)[O-])c(N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000193387917 402770960 /nfs/dbraw/zinc/77/09/60/402770960.db2.gz GQHPAKAOPXQQBH-UHFFFAOYSA-N 1 0 304.394 2.489 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000194844501 402817959 /nfs/dbraw/zinc/81/79/59/402817959.db2.gz SRRGLJNKGLPTND-UHFFFAOYSA-N 1 0 303.362 2.214 10 5 DEBERO COc1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000184261668 402830649 /nfs/dbraw/zinc/83/06/49/402830649.db2.gz UEJQOGYOKNJECY-CYBMUJFWSA-N 1 0 323.368 2.413 10 5 DEBERO C[C@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)CCO1 ZINC000301068817 403584749 /nfs/dbraw/zinc/58/47/49/403584749.db2.gz GFBJSNUKMSZRON-LBPRGKRZSA-N 1 0 323.368 2.423 10 5 DEBERO C[NH2+][C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000129068313 196016266 /nfs/dbraw/zinc/01/62/66/196016266.db2.gz DOYBIHJPCDWZJD-SNVBAGLBSA-N 1 0 314.183 2.151 10 5 DEBERO C[C@@H](CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[S@@](C)=O ZINC000129392459 196043657 /nfs/dbraw/zinc/04/36/57/196043657.db2.gz PGKHBBNYBVZURR-UGZDLDLSSA-N 1 0 304.799 2.495 10 5 DEBERO Cc1cc(N2CC[NH2+][C@@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000235666443 274708866 /nfs/dbraw/zinc/70/88/66/274708866.db2.gz VTHJFLCIIROPNE-VIFPVBQESA-N 1 0 314.183 2.464 10 5 DEBERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000045624042 276111886 /nfs/dbraw/zinc/11/18/86/276111886.db2.gz GZGFZBFMWJHYTQ-LBPRGKRZSA-N 1 0 308.382 2.124 10 5 DEBERO CC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000180605924 276590615 /nfs/dbraw/zinc/59/06/15/276590615.db2.gz SKMANNPHYXWMMF-OCCSQVGLSA-N 1 0 301.350 2.242 10 5 DEBERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067724734 281520657 /nfs/dbraw/zinc/52/06/57/281520657.db2.gz BOPDADIMNCJXLU-GFCCVEGCSA-N 1 0 308.382 2.124 10 5 DEBERO C[NH2+][C@@H](C)CNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000261567528 536344883 /nfs/dbraw/zinc/34/48/83/536344883.db2.gz ZWBCBRXYXDDFCQ-LURJTMIESA-N 1 0 303.160 2.081 10 5 DEBERO O=[N+]([O-])c1ccc(CO)cc1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000302024308 534881858 /nfs/dbraw/zinc/88/18/58/534881858.db2.gz HAVPVKPZOYLNOO-KKUMJFAQSA-N 1 0 317.389 2.008 10 5 DEBERO CC1(C)CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000261757593 535350680 /nfs/dbraw/zinc/35/06/80/535350680.db2.gz FBNRQJZOVLDOAS-NSHDSACASA-N 1 0 311.769 2.448 10 5 DEBERO C[C@H](CCO)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162216344 636560979 /nfs/dbraw/zinc/56/09/79/636560979.db2.gz QAINXNCGWUKEOQ-MRVPVSSYSA-N 1 0 303.156 2.218 10 5 DEBERO NC(=O)C1CCC([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000084440162 684003717 /nfs/dbraw/zinc/00/37/17/684003717.db2.gz JQPQRZCJCNLHFB-UHFFFAOYSA-N 1 0 311.769 2.382 10 5 DEBERO CCc1ccc(C(=O)OCCN2CCSCC2)cc1[N+](=O)[O-] ZINC000127627623 684164956 /nfs/dbraw/zinc/16/49/56/684164956.db2.gz MMOJBYAEAMIXCF-UHFFFAOYSA-N 1 0 324.402 2.363 10 5 DEBERO Cc1c(Br)c(NC[C@H]2C[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000715135695 792407776 /nfs/dbraw/zinc/40/77/76/792407776.db2.gz ZTQKHEBDKZHQPM-ZKCHVHJHSA-N 1 0 315.171 2.210 10 5 DEBERO C[N@@H+]1CC[C@H](Nc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000087834290 185232888 /nfs/dbraw/zinc/23/28/88/185232888.db2.gz AOEWMHXFCKAIOJ-VIFPVBQESA-N 1 0 300.156 2.473 10 5 DEBERO O=[N+]([O-])c1ccc(Br)cc1OC[C@@H]1CCC[NH2+]1 ZINC000087835289 185233089 /nfs/dbraw/zinc/23/30/89/185233089.db2.gz AUZHSBXHHJAXDD-VIFPVBQESA-N 1 0 301.140 2.488 10 5 DEBERO COc1cccc(F)c1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090538710 185301604 /nfs/dbraw/zinc/30/16/04/185301604.db2.gz RYOFANYJBCNFRL-SNVBAGLBSA-N 1 0 308.313 2.290 10 5 DEBERO CC[NH2+][C@H]1CCC[C@@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000084430165 192430406 /nfs/dbraw/zinc/43/04/06/192430406.db2.gz LEPIMJDAUOLBPW-SMDDNHRTSA-N 1 0 312.391 2.289 10 5 DEBERO C[C@H](CCC1CC1)[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000186340122 199946056 /nfs/dbraw/zinc/94/60/56/199946056.db2.gz XHRXSLIXFBBKJF-XFBWCDHKSA-N 1 0 308.378 2.157 10 5 DEBERO CCc1ccc(NC(=O)C[C@@H]2CSCC[NH2+]2)cc1[N+](=O)[O-] ZINC000091135296 193001272 /nfs/dbraw/zinc/00/12/72/193001272.db2.gz HDUYPRXLAASXAX-GFCCVEGCSA-N 1 0 309.391 2.191 10 5 DEBERO NC(=O)[C@]1([NH3+])CCC[C@@H]1CCSc1ccc([N+](=O)[O-])cc1 ZINC000093627048 193276705 /nfs/dbraw/zinc/27/67/05/193276705.db2.gz FCQPBYSMDDMAMN-YGRLFVJLSA-N 1 0 309.391 2.060 10 5 DEBERO O=[N+]([O-])c1ccc2sc([S@](=O)C[C@H]3CCC[NH2+]3)nc2c1 ZINC000095092235 193422739 /nfs/dbraw/zinc/42/27/39/193422739.db2.gz LMYISZRPUDBFAD-SQFXPLBJSA-N 1 0 311.388 2.064 10 5 DEBERO CN(c1ncnc(NC(C)(C)C)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000040581892 183104863 /nfs/dbraw/zinc/10/48/63/183104863.db2.gz ODPYCWMMGFEYAQ-UHFFFAOYSA-N 1 0 322.413 2.126 10 5 DEBERO CC(C)[NH2+][C@](C)(CCSc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000045549375 183514675 /nfs/dbraw/zinc/51/46/75/183514675.db2.gz YYEKRZNITMQJDL-CQSZACIVSA-N 1 0 311.407 2.319 10 5 DEBERO CCC[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159434236 197353004 /nfs/dbraw/zinc/35/30/04/197353004.db2.gz AOSIKLUUAQUWSS-UHFFFAOYSA-N 1 0 316.155 2.295 10 5 DEBERO COC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000187961499 533086686 /nfs/dbraw/zinc/08/66/86/533086686.db2.gz BPVRJSVDLGVXQX-INIZCTEOSA-N 1 0 308.378 2.169 10 5 DEBERO O=[N+]([O-])c1ccc(OCCCN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246299418 145098337 /nfs/dbraw/zinc/09/83/37/145098337.db2.gz JAKHALCGQRFUJX-HNNXBMFYSA-N 1 0 305.378 2.144 10 5 DEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247402286 145135992 /nfs/dbraw/zinc/13/59/92/145135992.db2.gz MROHWAASEBYMNE-SWLSCSKDSA-N 1 0 305.378 2.397 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000262325032 145276634 /nfs/dbraw/zinc/27/66/34/145276634.db2.gz RPHHMMOJOXGYEK-TUKIKUTGSA-N 1 0 303.362 2.103 10 5 DEBERO CC1(C)CCC[NH2+][C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000262425968 145283690 /nfs/dbraw/zinc/28/36/90/145283690.db2.gz FKGLNCXGQWUTHP-ZDUSSCGKSA-N 1 0 306.366 2.495 10 5 DEBERO C[C@@H]1CCOCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000374296318 148227251 /nfs/dbraw/zinc/22/72/51/148227251.db2.gz WVRGFHIJKDRECF-GFCCVEGCSA-N 1 0 307.350 2.034 10 5 DEBERO Cc1sc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000113228856 401771253 /nfs/dbraw/zinc/77/12/53/401771253.db2.gz ZSDQRORKAMYGIB-ONGXEEELSA-N 1 0 309.391 2.273 10 5 DEBERO Cn1cc([C@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000116315786 401849552 /nfs/dbraw/zinc/84/95/52/401849552.db2.gz SFGKWRVFRZIMAT-ZDUSSCGKSA-N 1 0 316.361 2.197 10 5 DEBERO CCOC(=O)c1ccnc(N[C@H]2CCC[N@H+](CC)C2)c1[N+](=O)[O-] ZINC000133441745 401886457 /nfs/dbraw/zinc/88/64/57/401886457.db2.gz XUSQSZGTMGQCKU-NSHDSACASA-N 1 0 322.365 2.063 10 5 DEBERO O=[N+]([O-])c1ccc2sc([S@](=O)[C@H]3CCC[NH2+]C3)nc2c1 ZINC000095092225 402025692 /nfs/dbraw/zinc/02/56/92/402025692.db2.gz JRQIAODZSCJFDK-LXGOIASLSA-N 1 0 311.388 2.064 10 5 DEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000052955249 402049069 /nfs/dbraw/zinc/04/90/69/402049069.db2.gz BEDQNKISWLADJC-GFCCVEGCSA-N 1 0 320.393 2.293 10 5 DEBERO C[C@@H]1C[C@H](N(C)C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000122930004 402102170 /nfs/dbraw/zinc/10/21/70/402102170.db2.gz ZVKRVFORJYWGOQ-TZMCWYRMSA-N 1 0 305.378 2.078 10 5 DEBERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152738057 402106800 /nfs/dbraw/zinc/10/68/00/402106800.db2.gz QWYHHTRJGLPAPB-SNVBAGLBSA-N 1 0 311.769 2.272 10 5 DEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124763569 402195902 /nfs/dbraw/zinc/19/59/02/402195902.db2.gz IENJTCNMVSSJJJ-VXGBXAGGSA-N 1 0 321.377 2.158 10 5 DEBERO CC[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176702213 402329327 /nfs/dbraw/zinc/32/93/27/402329327.db2.gz JTMRHPRVGDOXCQ-HUUCEWRRSA-N 1 0 320.393 2.391 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000246790136 402544770 /nfs/dbraw/zinc/54/47/70/402544770.db2.gz BKUVVCRGKRPYHG-PWSUYJOCSA-N 1 0 307.325 2.043 10 5 DEBERO Cc1sc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247421886 402566782 /nfs/dbraw/zinc/56/67/82/402566782.db2.gz OBBVLSYXXVWEIA-MWLCHTKSSA-N 1 0 311.407 2.377 10 5 DEBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246400319 402529285 /nfs/dbraw/zinc/52/92/85/402529285.db2.gz JJZWGQPFMASPQX-JKIFEVAISA-N 1 0 319.405 2.308 10 5 DEBERO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000171694156 402610578 /nfs/dbraw/zinc/61/05/78/402610578.db2.gz WHHLVJWPLXPCHY-NSHDSACASA-N 1 0 309.391 2.361 10 5 DEBERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000173322677 402692224 /nfs/dbraw/zinc/69/22/24/402692224.db2.gz OZLQULWFSJFSMJ-LBPRGKRZSA-N 1 0 324.344 2.421 10 5 DEBERO C[C@H]1C[C@@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000174393265 402738842 /nfs/dbraw/zinc/73/88/42/402738842.db2.gz KHWGOGPGICFQMU-JSGCOSHPSA-N 1 0 320.393 2.219 10 5 DEBERO Cc1c(NC(=O)CC[NH2+][C@@H](C)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000183114276 402739873 /nfs/dbraw/zinc/73/98/73/402739873.db2.gz YVPPPMQAUPYVTP-SWLSCSKDSA-N 1 0 321.377 2.389 10 5 DEBERO COCC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000183332671 402757796 /nfs/dbraw/zinc/75/77/96/402757796.db2.gz YMKPAEACQAINDG-CQSZACIVSA-N 1 0 307.394 2.056 10 5 DEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000175048650 402774849 /nfs/dbraw/zinc/77/48/49/402774849.db2.gz YTOHVJMFWVALAD-LSDHHAIUSA-N 1 0 317.389 2.223 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000175357587 402799507 /nfs/dbraw/zinc/79/95/07/402799507.db2.gz VPDBCWIPPATCKA-OAHLLOKOSA-N 1 0 307.394 2.390 10 5 DEBERO CC[NH2+][C@@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](C)CC ZINC000132786911 196283234 /nfs/dbraw/zinc/28/32/34/196283234.db2.gz VVQNHFRSXFXPJC-RYUDHWBXSA-N 1 0 314.407 2.393 10 5 DEBERO C[NH2+]C1CC(Oc2cccc([N+](=O)[O-])c2Br)C1 ZINC000135205533 196453155 /nfs/dbraw/zinc/45/31/55/196453155.db2.gz PCQYQIBLIIHIQP-UHFFFAOYSA-N 1 0 301.140 2.487 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000297168222 274374552 /nfs/dbraw/zinc/37/45/52/274374552.db2.gz PHQVIJMBDWJSAM-ZYHUDNBSSA-N 1 0 301.350 2.144 10 5 DEBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3ncnn3C1)CCC2 ZINC000192983385 275038394 /nfs/dbraw/zinc/03/83/94/275038394.db2.gz JBLKRPSCPMPRHD-IUODEOHRSA-N 1 0 313.361 2.168 10 5 DEBERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000360740750 534902259 /nfs/dbraw/zinc/90/22/59/534902259.db2.gz VBCRCQRKWWAYCQ-LBPRGKRZSA-N 1 0 307.350 2.416 10 5 DEBERO C[C@H]1[NH2+]CCC[C@H]1Nc1c(Br)cncc1[N+](=O)[O-] ZINC000235626480 625904814 /nfs/dbraw/zinc/90/48/14/625904814.db2.gz IXOXWDLLYYSLDZ-VXNVDRBHSA-N 1 0 315.171 2.305 10 5 DEBERO C[C@H](CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[S@@](C)=O ZINC000229797324 637796658 /nfs/dbraw/zinc/79/66/58/637796658.db2.gz IJRLURZTTFSUDN-AYLIAGHASA-N 1 0 304.799 2.495 10 5 DEBERO C/C(=C/C(=O)NCC[N@@H+](C)C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000752366235 639176547 /nfs/dbraw/zinc/17/65/47/639176547.db2.gz RHPZTFFLNNRRSM-QBFSEMIESA-N 1 0 305.378 2.455 10 5 DEBERO CC(=O)c1ccc(N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000733190563 649449108 /nfs/dbraw/zinc/44/91/08/649449108.db2.gz GYVNJCGFVRLCAH-CQSZACIVSA-N 1 0 303.362 2.470 10 5 DEBERO Cc1cc(F)cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000246115226 685123242 /nfs/dbraw/zinc/12/32/42/685123242.db2.gz QVAMFKRQDKOODF-YPMHNXCESA-N 1 0 321.352 2.351 10 5 DEBERO [NH3+][C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000717154036 799256580 /nfs/dbraw/zinc/25/65/80/799256580.db2.gz VKJOPHVXDPMJFD-DTWKUNHWSA-N 1 0 309.313 2.368 10 5 DEBERO CC[C@H]([NH2+][C@H](C)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000081902090 192336453 /nfs/dbraw/zinc/33/64/53/192336453.db2.gz CRXGHRKBSBDSTO-MFKMUULPSA-N 1 0 300.380 2.069 10 5 DEBERO CCC[C@H]([NH3+])[C@H](CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942158 192343753 /nfs/dbraw/zinc/34/37/53/192343753.db2.gz YZNZITMFJRVYBK-STQMWFEESA-N 1 0 300.380 2.275 10 5 DEBERO CCC[NH2+][C@H](C)[C@H](C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942538 192344356 /nfs/dbraw/zinc/34/43/56/192344356.db2.gz NQGAHQLRIPBVHY-MNOVXSKESA-N 1 0 300.380 2.145 10 5 DEBERO CC(C)C[NH2+]CCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942347 192344580 /nfs/dbraw/zinc/34/45/80/192344580.db2.gz PLPLZOVNCMJSDK-UHFFFAOYSA-N 1 0 300.380 2.004 10 5 DEBERO CC[C@H](C[NH3+])C(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000087521687 185227734 /nfs/dbraw/zinc/22/77/34/185227734.db2.gz QPFSEZMYNSVKMU-SSDOTTSWSA-N 1 0 316.155 2.281 10 5 DEBERO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000088060455 185238321 /nfs/dbraw/zinc/23/83/21/185238321.db2.gz DTLWASGKCVZWHG-SECBINFHSA-N 1 0 314.183 2.151 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000175352391 282194823 /nfs/dbraw/zinc/19/48/23/282194823.db2.gz FZDCHHNWQNFHNF-CQSZACIVSA-N 1 0 307.394 2.390 10 5 DEBERO Cc1c(Br)c(N[C@@H](C[NH3+])C(C)C)ncc1[N+](=O)[O-] ZINC000165827579 197682769 /nfs/dbraw/zinc/68/27/69/197682769.db2.gz NSXFSKOBKXPKID-QMMMGPOBSA-N 1 0 317.187 2.456 10 5 DEBERO CC[C@H]([NH2+][C@H](C)C(=O)NCCCOC)c1cccc([N+](=O)[O-])c1 ZINC000090068416 185280693 /nfs/dbraw/zinc/28/06/93/185280693.db2.gz QOPAGCDKUNVXAZ-DOMZBBRYSA-N 1 0 323.393 2.177 10 5 DEBERO CCN(c1ccc([N+](=O)[O-])cc1Br)C1C[NH2+]C1 ZINC000090292216 185289471 /nfs/dbraw/zinc/28/94/71/185289471.db2.gz IOPQWESGSOJJTO-UHFFFAOYSA-N 1 0 300.156 2.155 10 5 DEBERO Cc1cc(N[C@@H]2CCC(=O)N(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181505529 199308007 /nfs/dbraw/zinc/30/80/07/199308007.db2.gz HLCPEXNRCHJGKH-LLVKDONJSA-N 1 0 314.345 2.484 10 5 DEBERO Nc1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000071669688 191003525 /nfs/dbraw/zinc/00/35/25/191003525.db2.gz USSPQTGDCZVKNH-UHFFFAOYSA-N 1 0 312.373 2.499 10 5 DEBERO C[C@@H]1C[NH2+]C[C@@H](COc2cc(F)c(Cl)cc2[N+](=O)[O-])O1 ZINC000133638961 186002083 /nfs/dbraw/zinc/00/20/83/186002083.db2.gz RNIQNLMTLSAENN-SFYZADRCSA-N 1 0 304.705 2.143 10 5 DEBERO C[C@H](C[NH3+])CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000149803064 186052943 /nfs/dbraw/zinc/05/29/43/186052943.db2.gz ZOFUGCCLNZEMID-ZETCQYMHSA-N 1 0 316.155 2.281 10 5 DEBERO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000188001523 186241804 /nfs/dbraw/zinc/24/18/04/186241804.db2.gz MCBXWCNOHXVTTI-MLGOLLRUSA-N 1 0 321.377 2.016 10 5 DEBERO C[C@@H]1C[C@@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000173216066 198196953 /nfs/dbraw/zinc/19/69/53/198196953.db2.gz KDRAGWUTIBYYMK-OCCSQVGLSA-N 1 0 305.378 2.078 10 5 DEBERO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CN1CCOCC1 ZINC000173432922 198214550 /nfs/dbraw/zinc/21/45/50/198214550.db2.gz ONONCMFRACQHFP-KGLIPLIRSA-N 1 0 307.394 2.214 10 5 DEBERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182128658 199389930 /nfs/dbraw/zinc/38/99/30/199389930.db2.gz OISWXYGWVLJYKW-ONGXEEELSA-N 1 0 311.769 2.334 10 5 DEBERO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)CC[N@@H+]1CCOC ZINC000183332779 356168248 /nfs/dbraw/zinc/16/82/48/356168248.db2.gz HNVCHZMWRQTPPI-MRXNPFEDSA-N 1 0 321.421 2.446 10 5 DEBERO [NH3+]CC1(CCNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000404511593 356733285 /nfs/dbraw/zinc/73/32/85/356733285.db2.gz FWRDFIIQGLYDHE-UHFFFAOYSA-N 1 0 315.171 2.293 10 5 DEBERO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+](C)C ZINC000089710328 192848132 /nfs/dbraw/zinc/84/81/32/192848132.db2.gz JENFAJGTRVNUHP-RNCFNFMXSA-N 1 0 311.769 2.270 10 5 DEBERO COc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000189259129 200371625 /nfs/dbraw/zinc/37/16/25/200371625.db2.gz MDYGKUPAFKEGCM-WBMJQRKESA-N 1 0 324.377 2.339 10 5 DEBERO CC(C)C[C@@H](C[NH3+])C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000094697891 193391471 /nfs/dbraw/zinc/39/14/71/193391471.db2.gz JPWJKMNBZQQQJJ-QMMMGPOBSA-N 1 0 301.293 2.433 10 5 DEBERO CC(C)([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159445919 197354458 /nfs/dbraw/zinc/35/44/58/197354458.db2.gz LYGCFWFOOGJBDF-UHFFFAOYSA-N 1 0 302.128 2.033 10 5 DEBERO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000106113928 194187657 /nfs/dbraw/zinc/18/76/57/194187657.db2.gz CSBOZNNMUHDSAF-OAHLLOKOSA-N 1 0 307.394 2.137 10 5 DEBERO C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000110694802 194350169 /nfs/dbraw/zinc/35/01/69/194350169.db2.gz LJSFBKIGMNHNTC-SECBINFHSA-N 1 0 314.183 2.498 10 5 DEBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000273409204 210749300 /nfs/dbraw/zinc/74/93/00/210749300.db2.gz IAXLGRPYYGVDJY-YLSINNKHSA-N 1 0 305.378 2.455 10 5 DEBERO O=C(CC[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC1 ZINC000061028230 184159532 /nfs/dbraw/zinc/15/95/32/184159532.db2.gz JXRRHBMHFCJLCZ-UHFFFAOYSA-N 1 0 311.769 2.350 10 5 DEBERO C[C@@H]([NH3+])[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)CCO1 ZINC000156551213 197123263 /nfs/dbraw/zinc/12/32/63/197123263.db2.gz PYHIGSXYHPQFJU-PRHODGIISA-N 1 0 301.293 2.085 10 5 DEBERO C[C@H](C(=O)N(C)CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000543562810 285293890 /nfs/dbraw/zinc/29/38/90/285293890.db2.gz BMKZHYISKXAPDE-NSHDSACASA-N 1 0 311.357 2.248 10 5 DEBERO CN1CC[C@H]([NH2+]Cc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000122087395 195399270 /nfs/dbraw/zinc/39/92/70/195399270.db2.gz FLGJWSDPLHFHRO-NSHDSACASA-N 1 0 314.183 2.151 10 5 DEBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000246356312 145100146 /nfs/dbraw/zinc/10/01/46/145100146.db2.gz WUGFJOURBMQXTQ-USXIJHARSA-N 1 0 320.389 2.255 10 5 DEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247402320 145135984 /nfs/dbraw/zinc/13/59/84/145135984.db2.gz MROHWAASEBYMNE-WFASDCNBSA-N 1 0 305.378 2.397 10 5 DEBERO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000247533058 145140254 /nfs/dbraw/zinc/14/02/54/145140254.db2.gz XLBGSSZHNSFBRM-JSGCOSHPSA-N 1 0 305.378 2.458 10 5 DEBERO CC1(C)CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000261684317 145216114 /nfs/dbraw/zinc/21/61/14/145216114.db2.gz ASOFIEKFZVUADP-ZDUSSCGKSA-N 1 0 323.418 2.273 10 5 DEBERO CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261942324 145244722 /nfs/dbraw/zinc/24/47/22/145244722.db2.gz LPFYPVZVGJHFBX-ONXXMXGDSA-N 1 0 304.350 2.342 10 5 DEBERO CCOCC[N@@H+]1CCN(c2nccc(C)c2[N+](=O)[O-])C[C@@H]1CC ZINC000115517119 401830644 /nfs/dbraw/zinc/83/06/44/401830644.db2.gz CQFMOGZWRSZCMY-AWEZNQCLSA-N 1 0 322.409 2.235 10 5 DEBERO O=[N+]([O-])c1cccc(-c2nc(CNC3(CO)CC3)cs2)c1 ZINC000120328398 401986845 /nfs/dbraw/zinc/98/68/45/401986845.db2.gz NINLOMFVZNKKSW-UHFFFAOYSA-N 1 0 305.359 2.333 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000246826119 402546365 /nfs/dbraw/zinc/54/63/65/402546365.db2.gz AKRPOANAZGTVQB-MNOVXSKESA-N 1 0 309.391 2.355 10 5 DEBERO CC[C@@H]([NH2+]CC(=O)Nc1nncs1)c1cccc([N+](=O)[O-])c1 ZINC000181548818 402649110 /nfs/dbraw/zinc/64/91/10/402649110.db2.gz GIUPOOQGBHWKSE-LLVKDONJSA-N 1 0 321.362 2.126 10 5 DEBERO CC[C@@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000252353348 402652603 /nfs/dbraw/zinc/65/26/03/402652603.db2.gz WUOBVLSETJGSAG-SQWLQELKSA-N 1 0 321.421 2.433 10 5 DEBERO CN(C)C(=O)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255389179 402686210 /nfs/dbraw/zinc/68/62/10/402686210.db2.gz VWTHJCPWOSXLRH-ALCCZGGFSA-N 1 0 317.389 2.408 10 5 DEBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000192492522 402732606 /nfs/dbraw/zinc/73/26/06/402732606.db2.gz BPOOVNSFGALXJA-QVHFTPCNSA-N 1 0 315.373 2.018 10 5 DEBERO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000183332537 402757554 /nfs/dbraw/zinc/75/75/54/402757554.db2.gz QUDXGIKZOYEDQP-ZBFHGGJFSA-N 1 0 321.421 2.180 10 5 DEBERO CCOc1cc(N2CC[N@H+](CCOC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000174914653 402762809 /nfs/dbraw/zinc/76/28/09/402762809.db2.gz WFUTUDRPIIQRFO-CYBMUJFWSA-N 1 0 323.393 2.150 10 5 DEBERO CCOC(=O)c1cc(N2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000301612929 403654099 /nfs/dbraw/zinc/65/40/99/403654099.db2.gz GNVSXXUCBQSCNN-UHFFFAOYSA-N 1 0 321.377 2.302 10 5 DEBERO Cc1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000301694198 403665644 /nfs/dbraw/zinc/66/56/44/403665644.db2.gz ZUFMOYHTBZSXNI-KBPBESRZSA-N 1 0 311.769 2.076 10 5 DEBERO CCOc1ccc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000358135181 404754846 /nfs/dbraw/zinc/75/48/46/404754846.db2.gz URFDHGNJYVKCFP-LBPRGKRZSA-N 1 0 323.393 2.452 10 5 DEBERO C[C@H]1C[NH+](CCCCNc2ccc([N+](=O)[O-])nc2)C[C@H](C)O1 ZINC000490090041 406452162 /nfs/dbraw/zinc/45/21/62/406452162.db2.gz NDUYZSIZYQLEGH-STQMWFEESA-N 1 0 308.382 2.291 10 5 DEBERO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC2)c(Br)c1 ZINC000131503677 196175345 /nfs/dbraw/zinc/17/53/45/196175345.db2.gz YDAQWGUFYYHUNV-VIFPVBQESA-N 1 0 301.140 2.236 10 5 DEBERO C[C@H](C[C@H]1COCC[NH2+]1)Nc1c(F)cc(F)cc1[N+](=O)[O-] ZINC000134113713 196362465 /nfs/dbraw/zinc/36/24/65/196362465.db2.gz QMKDCSYSAYTMOM-SCZZXKLOSA-N 1 0 301.293 2.052 10 5 DEBERO CC1(C)CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000261711137 276127166 /nfs/dbraw/zinc/12/71/66/276127166.db2.gz PDUMMYDLBCIVKX-LLVKDONJSA-N 1 0 311.769 2.448 10 5 DEBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192565632 520856521 /nfs/dbraw/zinc/85/65/21/520856521.db2.gz LYLFFGGALYDDEL-LLVKDONJSA-N 1 0 309.366 2.064 10 5 DEBERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249760831 521621832 /nfs/dbraw/zinc/62/18/32/521621832.db2.gz LBGSYEIDGIWMOP-TZMCWYRMSA-N 1 0 320.393 2.439 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000127225911 521628446 /nfs/dbraw/zinc/62/84/46/521628446.db2.gz BKNWYSIKDHEWFB-OAHLLOKOSA-N 1 0 319.405 2.388 10 5 DEBERO Cc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000247306705 524155607 /nfs/dbraw/zinc/15/56/07/524155607.db2.gz LSEFRWHJIJFMBM-OCCSQVGLSA-N 1 0 305.378 2.362 10 5 DEBERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000229605034 525010616 /nfs/dbraw/zinc/01/06/16/525010616.db2.gz QEQFDRCFVBPHLG-XCBNKYQSSA-N 1 0 315.171 2.305 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000248406016 535875339 /nfs/dbraw/zinc/87/53/39/535875339.db2.gz RXYSVHIISWOQGV-NEPJUHHUSA-N 1 0 319.365 2.080 10 5 DEBERO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000178891419 636490959 /nfs/dbraw/zinc/49/09/59/636490959.db2.gz XFSUWIKTNOMQQF-GFCCVEGCSA-N 1 0 319.340 2.238 10 5 DEBERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1 ZINC000131216598 684197873 /nfs/dbraw/zinc/19/78/73/684197873.db2.gz LRWQIIFKGBIVMW-GFCCVEGCSA-N 1 0 309.341 2.256 10 5 DEBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)CN1CCOC1=S ZINC000194017114 685053564 /nfs/dbraw/zinc/05/35/64/685053564.db2.gz AUTWDJNIDZKZSQ-UHFFFAOYSA-N 1 0 309.391 2.380 10 5 DEBERO CC(C)(C)OC(=O)c1ccc(C[N+]23CCN(CC2)CC3)cc1 ZINC000151340765 717154247 /nfs/dbraw/zinc/15/42/47/717154247.db2.gz FKEUKZCHJWEAOG-UHFFFAOYSA-N 1 0 303.426 2.288 10 5 DEBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000588445591 777201724 /nfs/dbraw/zinc/20/17/24/777201724.db2.gz XLTSZLZMSUGBME-VSKPTYQZSA-N 1 0 317.389 2.456 10 5 DEBERO CC[NH2+][C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942063 192343669 /nfs/dbraw/zinc/34/36/69/192343669.db2.gz FWUSAQAHCRDVJJ-ZIAGYGMSSA-N 1 0 312.391 2.289 10 5 DEBERO C[C@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000165820778 197682973 /nfs/dbraw/zinc/68/29/73/197682973.db2.gz XQOWAVXVUPMVHT-FWDPORAESA-N 1 0 309.753 2.071 10 5 DEBERO Cc1c(Br)c(OC[C@@H]2CC[NH2+]C2)ncc1[N+](=O)[O-] ZINC000165863380 197683462 /nfs/dbraw/zinc/68/34/62/197683462.db2.gz OIJVGPDOQFADCX-MRVPVSSYSA-N 1 0 316.155 2.049 10 5 DEBERO COc1ccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000068222960 190755447 /nfs/dbraw/zinc/75/54/47/190755447.db2.gz ARLLDKIJVNZYQB-ZDUSSCGKSA-N 1 0 323.393 2.310 10 5 DEBERO C[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181934669 199364694 /nfs/dbraw/zinc/36/46/94/199364694.db2.gz OIFLBULXTMATOX-MCIONIFRSA-N 1 0 308.378 2.455 10 5 DEBERO C[C@@H]1C[NH2+]C[C@H](COc2cc(F)c(Cl)cc2[N+](=O)[O-])O1 ZINC000133638629 186002394 /nfs/dbraw/zinc/00/23/94/186002394.db2.gz RNIQNLMTLSAENN-HTQZYQBOSA-N 1 0 304.705 2.143 10 5 DEBERO [NH3+]C1(C(=O)Nc2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000147742894 186041174 /nfs/dbraw/zinc/04/11/74/186041174.db2.gz HYKPFEVHZXYPNA-UHFFFAOYSA-N 1 0 314.139 2.177 10 5 DEBERO C[NH2+]Cc1ccn(-c2cc([N+](=O)[O-])ccc2Br)n1 ZINC000159531421 186125643 /nfs/dbraw/zinc/12/56/43/186125643.db2.gz XVLIBIADMAKHLX-UHFFFAOYSA-N 1 0 311.139 2.262 10 5 DEBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000236797433 202013682 /nfs/dbraw/zinc/01/36/82/202013682.db2.gz BGWNXAIFKJJBLW-KGLIPLIRSA-N 1 0 305.378 2.459 10 5 DEBERO COC(=O)c1cc(NC[C@H]2CCC[N@H+](C)C2)cc(C)c1[N+](=O)[O-] ZINC000091482655 355599213 /nfs/dbraw/zinc/59/92/13/355599213.db2.gz KFAIBRUJCIBARI-GFCCVEGCSA-N 1 0 321.377 2.444 10 5 DEBERO COc1cccc(F)c1[C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000179891431 356035855 /nfs/dbraw/zinc/03/58/55/356035855.db2.gz OYQOEKCUECYBRJ-JTQLQIEISA-N 1 0 308.313 2.290 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1CNc1ccn(CC[NH+](C)C)n1 ZINC000183554973 356175872 /nfs/dbraw/zinc/17/58/72/356175872.db2.gz PSSGLMHDDDGPNP-UHFFFAOYSA-N 1 0 303.366 2.273 10 5 DEBERO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)c1ccccc1 ZINC000585754494 357352455 /nfs/dbraw/zinc/35/24/55/357352455.db2.gz PRNCKPVAYLFNSC-HNNXBMFYSA-N 1 0 318.377 2.019 10 5 DEBERO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC000611615668 361645393 /nfs/dbraw/zinc/64/53/93/361645393.db2.gz ZXUVBOPGSLRGAW-AWEZNQCLSA-N 1 0 322.409 2.375 10 5 DEBERO [NH3+][C@@H]1CCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000093434317 193250286 /nfs/dbraw/zinc/25/02/86/193250286.db2.gz DHJUSNIZWCHRPL-BDAKNGLRSA-N 1 0 301.144 2.044 10 5 DEBERO C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000093522962 193262859 /nfs/dbraw/zinc/26/28/59/193262859.db2.gz SKEMNDPCSVAXCD-JTQLQIEISA-N 1 0 300.380 2.069 10 5 DEBERO COC(=O)[C@]1([NH3+])CC[C@@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093847175 193317498 /nfs/dbraw/zinc/31/74/98/193317498.db2.gz CUURLTAZJHUYPQ-RNCFNFMXSA-N 1 0 314.725 2.050 10 5 DEBERO CC[NH2+][C@@]1(C(N)=O)CC[C@@H](Sc2ccccc2[N+](=O)[O-])C1 ZINC000093848704 193318102 /nfs/dbraw/zinc/31/81/02/193318102.db2.gz AQHHUUBMYDZNRC-YGRLFVJLSA-N 1 0 309.391 2.073 10 5 DEBERO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](C)COC ZINC000094774657 193396128 /nfs/dbraw/zinc/39/61/28/193396128.db2.gz MWHVSFMYZKXFET-NSHDSACASA-N 1 0 300.330 2.217 10 5 DEBERO [NH3+][C@@H]1CCCC[C@H]1Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000040713463 183121656 /nfs/dbraw/zinc/12/16/56/183121656.db2.gz QAEBNUBRDRLWEB-RKDXNWHRSA-N 1 0 315.171 2.434 10 5 DEBERO [NH3+][C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000041030036 183157529 /nfs/dbraw/zinc/15/75/29/183157529.db2.gz YKNSGNYDGRZJMJ-JTQLQIEISA-N 1 0 314.183 2.280 10 5 DEBERO O=[N+]([O-])c1cc(C[NH2+]CCSCCCO)ccc1Cl ZINC000105643819 194116664 /nfs/dbraw/zinc/11/66/64/194116664.db2.gz XXNZTVZKGMUIDI-UHFFFAOYSA-N 1 0 304.799 2.453 10 5 DEBERO CCN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000111010097 194382278 /nfs/dbraw/zinc/38/22/78/194382278.db2.gz SKKALZWZOQTYSZ-UHFFFAOYSA-N 1 0 311.769 2.462 10 5 DEBERO C[NH2+]C[C@@H]1CN(c2cc(Cl)c(Cl)cc2[N+](=O)[O-])CCO1 ZINC000157817825 197217993 /nfs/dbraw/zinc/21/79/93/197217993.db2.gz RGCLPHWQPMIUHX-MRVPVSSYSA-N 1 0 320.176 2.326 10 5 DEBERO Cc1csc(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000176222601 132517930 /nfs/dbraw/zinc/51/79/30/132517930.db2.gz CPNDBXAQPPHCIE-UHFFFAOYSA-N 1 0 321.406 2.436 10 5 DEBERO Cc1c(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cccc1[N+](=O)[O-] ZINC000188667463 145015513 /nfs/dbraw/zinc/01/55/13/145015513.db2.gz INHDAZWZKZIKSS-UHFFFAOYSA-N 1 0 311.341 2.436 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000190746970 145047836 /nfs/dbraw/zinc/04/78/36/145047836.db2.gz BAVPLRCEQHDZKK-GFCCVEGCSA-N 1 0 303.362 2.260 10 5 DEBERO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC2(CCCC2)O1 ZINC000190954964 145050445 /nfs/dbraw/zinc/05/04/45/145050445.db2.gz HSASZAVZPFGEHT-UHFFFAOYSA-N 1 0 308.382 2.215 10 5 DEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000247034198 145124512 /nfs/dbraw/zinc/12/45/12/145124512.db2.gz GLDCXNXZWKMAPS-FZMZJTMJSA-N 1 0 304.350 2.295 10 5 DEBERO Cc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000247186422 145129117 /nfs/dbraw/zinc/12/91/17/145129117.db2.gz BGSDMZIBINRIME-STQMWFEESA-N 1 0 305.378 2.458 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261604165 145209624 /nfs/dbraw/zinc/20/96/24/145209624.db2.gz AVRDEIBDIMDTSH-KRWDZBQOSA-N 1 0 312.373 2.445 10 5 DEBERO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261646717 145213055 /nfs/dbraw/zinc/21/30/55/145213055.db2.gz FJFXQPPXFNDFFE-XJKCOSOUSA-N 1 0 319.361 2.066 10 5 DEBERO O=[N+]([O-])c1cccc(F)c1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261764300 145224200 /nfs/dbraw/zinc/22/42/00/145224200.db2.gz OISYLQCLPNHGHQ-MRXNPFEDSA-N 1 0 316.336 2.275 10 5 DEBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000077509739 401818044 /nfs/dbraw/zinc/81/80/44/401818044.db2.gz UAWUGHQSWXCKIX-LBPRGKRZSA-N 1 0 311.357 2.440 10 5 DEBERO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+](C)C ZINC000089710329 401958522 /nfs/dbraw/zinc/95/85/22/401958522.db2.gz JENFAJGTRVNUHP-ZANVPECISA-N 1 0 311.769 2.270 10 5 DEBERO O=[N+]([O-])c1ccc2sc([S@](=O)C3CC[NH2+]CC3)nc2c1 ZINC000095092227 402026013 /nfs/dbraw/zinc/02/60/13/402026013.db2.gz NQVKDTUQZQITGP-FQEVSTJZSA-N 1 0 311.388 2.064 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124594337 402187363 /nfs/dbraw/zinc/18/73/63/402187363.db2.gz PSNVWSQNBZBRBM-CHWSQXEVSA-N 1 0 305.378 2.458 10 5 DEBERO Cc1c([C@@H](C)[NH2+]C[C@@]2(CCO)CCOC2)cccc1[N+](=O)[O-] ZINC000125625090 402242855 /nfs/dbraw/zinc/24/28/55/402242855.db2.gz CDCYQUKSJQWWTE-CZUORRHYSA-N 1 0 308.378 2.343 10 5 DEBERO COc1ccc(OC)c([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)c1 ZINC000176197256 402289600 /nfs/dbraw/zinc/28/96/00/402289600.db2.gz ZRMBQTVCTGPCRD-LLVKDONJSA-N 1 0 320.349 2.159 10 5 DEBERO CC[N@@H+]1CCC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000176291986 402297546 /nfs/dbraw/zinc/29/75/46/402297546.db2.gz JICNIUIDAQBKJU-CQSZACIVSA-N 1 0 305.378 2.128 10 5 DEBERO C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@H](C)CO ZINC000162229503 402413716 /nfs/dbraw/zinc/41/37/16/402413716.db2.gz VOTKOZODKJMNHD-RKDXNWHRSA-N 1 0 317.183 2.464 10 5 DEBERO C[C@H](CO)[C@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162229757 402413860 /nfs/dbraw/zinc/41/38/60/402413860.db2.gz VOTKOZODKJMNHD-BDAKNGLRSA-N 1 0 317.183 2.464 10 5 DEBERO Cc1sc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cc1[N+](=O)[O-] ZINC000186524118 402438869 /nfs/dbraw/zinc/43/88/69/402438869.db2.gz LRXZEEKGRRHQTO-JTQLQIEISA-N 1 0 309.391 2.321 10 5 DEBERO Cc1sc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246759429 402543564 /nfs/dbraw/zinc/54/35/64/402543564.db2.gz BTXCQNUFGIYRFC-KOLCDFICSA-N 1 0 311.407 2.423 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247468641 402567895 /nfs/dbraw/zinc/56/78/95/402567895.db2.gz RMRSXIQLGKHLEL-TZMCWYRMSA-N 1 0 303.362 2.212 10 5 DEBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255390275 402686456 /nfs/dbraw/zinc/68/64/56/402686456.db2.gz CMNXQISERMRHJF-MUGHPLOMSA-N 1 0 317.389 2.453 10 5 DEBERO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000255563092 402691488 /nfs/dbraw/zinc/69/14/88/402691488.db2.gz WOJKYSBIPWHOEL-CXOKCQFOSA-N 1 0 315.373 2.305 10 5 DEBERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000173322692 402692112 /nfs/dbraw/zinc/69/21/12/402692112.db2.gz OZLQULWFSJFSMJ-GFCCVEGCSA-N 1 0 324.344 2.421 10 5 DEBERO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000175998677 402846901 /nfs/dbraw/zinc/84/69/01/402846901.db2.gz WCEIUBJNLJDRFK-JSGCOSHPSA-N 1 0 320.393 2.358 10 5 DEBERO CC[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000175998943 402846994 /nfs/dbraw/zinc/84/69/94/402846994.db2.gz WJMQMKFFAHPYSP-LSDHHAIUSA-N 1 0 320.393 2.439 10 5 DEBERO CC[C@H](O)C[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000266156557 402966612 /nfs/dbraw/zinc/96/66/12/402966612.db2.gz VHFNDLJUOGPNAT-LBPRGKRZSA-N 1 0 313.785 2.141 10 5 DEBERO Cc1cc(N2CCC(Cc3nccn3C)CC2)ncc1[N+](=O)[O-] ZINC000301462056 403633102 /nfs/dbraw/zinc/63/31/02/403633102.db2.gz ZGMOQDXKWVWIFB-UHFFFAOYSA-N 1 0 315.377 2.491 10 5 DEBERO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000408068169 405103095 /nfs/dbraw/zinc/10/30/95/405103095.db2.gz HJCXXDRNGSBRBB-GHMZBOCLSA-N 1 0 316.361 2.241 10 5 DEBERO C[C@@H]1C[N@H+](C)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000134528462 196399662 /nfs/dbraw/zinc/39/96/62/196399662.db2.gz KQNKXKMPCSTHSU-RNCFNFMXSA-N 1 0 311.769 2.318 10 5 DEBERO CC[NH2+][C@@H]1CSC[C@H]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000134605501 196406249 /nfs/dbraw/zinc/40/62/49/196406249.db2.gz FZXXVISOENWCJU-ZYHUDNBSSA-N 1 0 311.363 2.387 10 5 DEBERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000045624044 273641167 /nfs/dbraw/zinc/64/11/67/273641167.db2.gz GZGFZBFMWJHYTQ-GFCCVEGCSA-N 1 0 308.382 2.124 10 5 DEBERO [NH3+]C1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000087834780 274943793 /nfs/dbraw/zinc/94/37/93/274943793.db2.gz XBHFPQJFKDEMDG-UHFFFAOYSA-N 1 0 300.156 2.285 10 5 DEBERO COc1c([N+](=O)[O-])ccc2c1CC[C@H]([NH+]1CCOCC1)CC2 ZINC000095835401 277792069 /nfs/dbraw/zinc/79/20/69/277792069.db2.gz WLKBQHVXCUQUTL-CYBMUJFWSA-N 1 0 306.362 2.183 10 5 DEBERO COCc1cc([N+](=O)[O-])ccc1NCCCC[NH+]1CCOCC1 ZINC000156786551 522940910 /nfs/dbraw/zinc/94/09/10/522940910.db2.gz KZRFDXQOEWBXEP-UHFFFAOYSA-N 1 0 323.393 2.266 10 5 DEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246839286 536165791 /nfs/dbraw/zinc/16/57/91/536165791.db2.gz BJYLLZKYDPQCFV-HOCLYGCPSA-N 1 0 317.389 2.223 10 5 DEBERO COCC[N@@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000255620366 536873116 /nfs/dbraw/zinc/87/31/16/536873116.db2.gz FOZOEXOUWLFVTK-PKYBCLHXSA-N 1 0 319.405 2.261 10 5 DEBERO C/C(=C\C(=O)NC[C@@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000750806759 639028769 /nfs/dbraw/zinc/02/87/69/639028769.db2.gz FYSDSVRMCKTMFP-SRXBQZRASA-N 1 0 303.362 2.066 10 5 DEBERO CC(C)(CO)[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000232516713 646811598 /nfs/dbraw/zinc/81/15/98/646811598.db2.gz HBLWLIACJLTKHJ-UHFFFAOYSA-N 1 0 303.156 2.218 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000153226273 647391326 /nfs/dbraw/zinc/39/13/26/647391326.db2.gz PMRYJXJTMIGYLT-IUODEOHRSA-N 1 0 315.377 2.071 10 5 DEBERO O=[N+]([O-])c1cnc(NC[C@@H]2C[NH2+]CCC2(F)F)c(Cl)c1 ZINC000717002314 798503905 /nfs/dbraw/zinc/50/39/05/798503905.db2.gz ZJDZXYZFMVCPTK-ZETCQYMHSA-N 1 0 306.700 2.300 10 5 DEBERO [NH3+]C[C@@H]1CCCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162382902 197563423 /nfs/dbraw/zinc/56/34/23/197563423.db2.gz PFCXORXTIOMHFK-NSHDSACASA-N 1 0 314.183 2.280 10 5 DEBERO C[NH2+][C@H](C)CCCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942219 192344401 /nfs/dbraw/zinc/34/44/01/192344401.db2.gz KPMJGQMLOJQUSV-LLVKDONJSA-N 1 0 300.380 2.147 10 5 DEBERO C[C@@H](CO)C[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000088194996 185241420 /nfs/dbraw/zinc/24/14/20/185241420.db2.gz OJXNAGDUHSVKCB-MRVPVSSYSA-N 1 0 303.156 2.075 10 5 DEBERO CC(C)[C@H](CO)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000092394178 185315736 /nfs/dbraw/zinc/31/57/36/185315736.db2.gz ULOGTGVAWCTMMM-NSHDSACASA-N 1 0 317.183 2.464 10 5 DEBERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000186785242 282284011 /nfs/dbraw/zinc/28/40/11/282284011.db2.gz PJZWVDKDFNAPKJ-NSHDSACASA-N 1 0 322.365 2.209 10 5 DEBERO [NH3+]C1(C(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000147781136 186042068 /nfs/dbraw/zinc/04/20/68/186042068.db2.gz DSXSDFCABJWBIM-UHFFFAOYSA-N 1 0 303.240 2.434 10 5 DEBERO Cc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000155730458 186107826 /nfs/dbraw/zinc/10/78/26/186107826.db2.gz LSEFRWHJIJFMBM-JSGCOSHPSA-N 1 0 305.378 2.362 10 5 DEBERO O=[N+]([O-])c1cc(Cl)c(NC[C@@H]2COCC[NH2+]2)c(Cl)c1 ZINC000236043515 356289463 /nfs/dbraw/zinc/28/94/63/356289463.db2.gz XPVVFRJMSCPZLM-SSDOTTSWSA-N 1 0 306.149 2.302 10 5 DEBERO CC[C@](C)([NH3+])COc1ncc(Br)cc1[N+](=O)[O-] ZINC000080844270 192195331 /nfs/dbraw/zinc/19/53/31/192195331.db2.gz DEGGXXGNXGXBDV-JTQLQIEISA-N 1 0 304.144 2.259 10 5 DEBERO C[C@H]([NH3+])C[C@H](C)Nc1c(Br)cncc1[N+](=O)[O-] ZINC000320915828 356447966 /nfs/dbraw/zinc/44/79/66/356447966.db2.gz RHPDVCRLNYCWQC-BQBZGAKWSA-N 1 0 303.160 2.290 10 5 DEBERO C[C@H](O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC000086014326 192544253 /nfs/dbraw/zinc/54/42/53/192544253.db2.gz PLDVEGIDKNSQOX-QMMMGPOBSA-N 1 0 303.156 2.218 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000188052984 200186827 /nfs/dbraw/zinc/18/68/27/200186827.db2.gz FHQUDUCAOSLLQD-UHFFFAOYSA-N 1 0 305.378 2.460 10 5 DEBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1(CCO)CCOCC1 ZINC000610771634 361463907 /nfs/dbraw/zinc/46/39/07/361463907.db2.gz KTAYXQHHCIMACF-HWKANZROSA-N 1 0 306.362 2.129 10 5 DEBERO CC[C@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000611616325 361645237 /nfs/dbraw/zinc/64/52/37/361645237.db2.gz HQFJDSWKRVFBGE-AWEZNQCLSA-N 1 0 322.409 2.154 10 5 DEBERO O=[N+]([O-])c1cnc(N[C@H]2CCCC[NH2+]C2)c(Br)c1 ZINC000093434362 193250769 /nfs/dbraw/zinc/25/07/69/193250769.db2.gz AMOVZXIBZRPVNR-QMMMGPOBSA-N 1 0 315.171 2.306 10 5 DEBERO O=[N+]([O-])c1cnc(OC[C@H]2CCCC[NH2+]2)c(Br)c1 ZINC000093434573 193251759 /nfs/dbraw/zinc/25/17/59/193251759.db2.gz SWFHMDOEXYEAHX-MRVPVSSYSA-N 1 0 316.155 2.273 10 5 DEBERO Cn1c(C[NH3+])nnc1SCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633117 193277721 /nfs/dbraw/zinc/27/77/21/193277721.db2.gz OWCCRKOQUDBTRK-UHFFFAOYSA-N 1 0 313.770 2.128 10 5 DEBERO C[NH2+][C@@H]1[C@H](S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1(C)C ZINC000094311262 193358986 /nfs/dbraw/zinc/35/89/86/193358986.db2.gz WYLKZVYVOODWNP-CHWSQXEVSA-N 1 0 312.391 2.145 10 5 DEBERO [NH3+]CCCC(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000037042115 182863676 /nfs/dbraw/zinc/86/36/76/182863676.db2.gz UCMNWPGZIHCNED-UHFFFAOYSA-N 1 0 302.128 2.035 10 5 DEBERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000040740767 183127290 /nfs/dbraw/zinc/12/72/90/183127290.db2.gz USVBLZFSTGWRIV-ZACCUICWSA-N 1 0 309.753 2.261 10 5 DEBERO [NH3+]CCCCC(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159445780 197353857 /nfs/dbraw/zinc/35/38/57/197353857.db2.gz WLLXYSCNQBKDOB-UHFFFAOYSA-N 1 0 316.155 2.425 10 5 DEBERO C[C@H](CC[NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159433435 197353542 /nfs/dbraw/zinc/35/35/42/197353542.db2.gz KRUVTSUEFRTFDT-SSDOTTSWSA-N 1 0 316.155 2.281 10 5 DEBERO CCOCC[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000106110950 194187372 /nfs/dbraw/zinc/18/73/72/194187372.db2.gz UUTCAIOTQFPTRH-AWEZNQCLSA-N 1 0 307.394 2.137 10 5 DEBERO [NH3+]C[C@H]1CCN(c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000158748124 197298410 /nfs/dbraw/zinc/29/84/10/197298410.db2.gz QENZEVQPXHXOLL-SSDOTTSWSA-N 1 0 318.146 2.281 10 5 DEBERO O=[N+]([O-])c1cc(F)c(Br)cc1N[C@H]1CC[NH2+]C1 ZINC000158748895 197298202 /nfs/dbraw/zinc/29/82/02/197298202.db2.gz PZTDNWGOOJNOJS-LURJTMIESA-N 1 0 304.119 2.270 10 5 DEBERO C[C@H]([NH3+])[C@@H]1CN(c2cc(Cl)c(Cl)cc2[N+](=O)[O-])CCO1 ZINC000156556524 197122994 /nfs/dbraw/zinc/12/29/94/197122994.db2.gz YNDWAUOOPZDGBQ-MADCSZMMSA-N 1 0 320.176 2.454 10 5 DEBERO Cc1cccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000155322342 197044076 /nfs/dbraw/zinc/04/40/76/197044076.db2.gz APAOPNPTUWEDPC-JSGCOSHPSA-N 1 0 305.378 2.362 10 5 DEBERO CC1(C[NH2+]Cc2cc(Br)ccc2[N+](=O)[O-])COC1 ZINC000121170093 195301871 /nfs/dbraw/zinc/30/18/71/195301871.db2.gz WDDVQWWEMGPGBF-UHFFFAOYSA-N 1 0 315.167 2.483 10 5 DEBERO C[C@@H](O)CC[NH2+]Cc1cc(Br)ccc1[N+](=O)[O-] ZINC000121167478 195302354 /nfs/dbraw/zinc/30/23/54/195302354.db2.gz FKRSLIGJLPAEEK-MRVPVSSYSA-N 1 0 303.156 2.218 10 5 DEBERO CCC[NH+]1CCC(CNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183592434 144931334 /nfs/dbraw/zinc/93/13/34/144931334.db2.gz YBORBGXWCXEGSI-UHFFFAOYSA-N 1 0 321.381 2.233 10 5 DEBERO CO[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000252009441 145198006 /nfs/dbraw/zinc/19/80/06/145198006.db2.gz XLOXUVINRUFYIV-TYNCELHUSA-N 1 0 321.377 2.279 10 5 DEBERO CCOc1ccc(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000261789419 145226745 /nfs/dbraw/zinc/22/67/45/145226745.db2.gz LVWUOVMGMUVENU-AAEUAGOBSA-N 1 0 321.377 2.193 10 5 DEBERO Cc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1[N+](=O)[O-] ZINC000128547348 401782012 /nfs/dbraw/zinc/78/20/12/401782012.db2.gz YXVMQQCOVIHTQP-OAHLLOKOSA-N 1 0 315.377 2.407 10 5 DEBERO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917107 401918165 /nfs/dbraw/zinc/91/81/65/401918165.db2.gz HPXKWHBAKNNITN-QWRGUYRKSA-N 1 0 309.391 2.261 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000119053661 401921824 /nfs/dbraw/zinc/92/18/24/401921824.db2.gz BHDLAPSVVDXGAT-CZUORRHYSA-N 1 0 317.389 2.460 10 5 DEBERO O=[N+]([O-])c1cccc([C@H](O)CN2CCC([NH+]3CCCC3)CC2)c1 ZINC000137055443 401977919 /nfs/dbraw/zinc/97/79/19/401977919.db2.gz CNQWDYHGJDHMBN-QGZVFWFLSA-N 1 0 319.405 2.188 10 5 DEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000054130839 402063347 /nfs/dbraw/zinc/06/33/47/402063347.db2.gz MLVCOSGZDFLKPL-UHFFFAOYSA-N 1 0 320.393 2.337 10 5 DEBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067724467 402170028 /nfs/dbraw/zinc/17/00/28/402170028.db2.gz ZDHXMEPGRHMYOA-AWEZNQCLSA-N 1 0 322.409 2.370 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC1CC[NH+](C)CC1 ZINC000125419680 402231158 /nfs/dbraw/zinc/23/11/58/402231158.db2.gz WFJFIJOKIIFZPB-UHFFFAOYSA-N 1 0 305.378 2.365 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCCCS(C)(=O)=O ZINC000185206322 402334216 /nfs/dbraw/zinc/33/42/16/402334216.db2.gz NVEDCMMBCDVMRQ-UHFFFAOYSA-N 1 0 314.407 2.208 10 5 DEBERO O=C(CCc1cccc([N+](=O)[O-])c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186535724 402440458 /nfs/dbraw/zinc/44/04/58/402440458.db2.gz RAXDYULBYUZYJH-CQSZACIVSA-N 1 0 317.389 2.270 10 5 DEBERO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc([N+](=O)[O-])cc1 ZINC000178055702 402456197 /nfs/dbraw/zinc/45/61/97/402456197.db2.gz BOMUZYVJLOIPBT-LBPRGKRZSA-N 1 0 324.344 2.421 10 5 DEBERO C[C@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[S@](C)=O ZINC000168135106 402494343 /nfs/dbraw/zinc/49/43/43/402494343.db2.gz GVQQMJGWJKALBZ-AYLIAGHASA-N 1 0 304.799 2.495 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000183237086 402749285 /nfs/dbraw/zinc/74/92/85/402749285.db2.gz HHHOSVRHYRMGQL-UHFFFAOYSA-N 1 0 305.378 2.203 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1[C@@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000183947737 402807829 /nfs/dbraw/zinc/80/78/29/402807829.db2.gz MFXKWZSHNQYUFL-CQSZACIVSA-N 1 0 322.328 2.349 10 5 DEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000195070973 402829625 /nfs/dbraw/zinc/82/96/25/402829625.db2.gz IYXMATGXIYXRHM-GFCCVEGCSA-N 1 0 320.393 2.148 10 5 DEBERO COc1cc(CN2CCC([NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000184243889 402830246 /nfs/dbraw/zinc/83/02/46/402830246.db2.gz OEPIPEBYLBMYDJ-UHFFFAOYSA-N 1 0 311.357 2.269 10 5 DEBERO C[N@@H+]1CCC[C@@H]2CN(c3cc(CO)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000302027267 403706651 /nfs/dbraw/zinc/70/66/51/403706651.db2.gz IPVXWEBLDOZYHS-ZIAGYGMSSA-N 1 0 305.378 2.008 10 5 DEBERO CC[N@H+](C)[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000302610258 403713352 /nfs/dbraw/zinc/71/33/52/403713352.db2.gz ANZLRSODZAIBNQ-LBPRGKRZSA-N 1 0 318.377 2.010 10 5 DEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000344855554 404407333 /nfs/dbraw/zinc/40/73/33/404407333.db2.gz FJLZYDBCRSRERM-ICDLMJIXSA-N 1 0 303.362 2.209 10 5 DEBERO C[C@@H]1C[N@@H+](C[C@H]2CCCN2c2ccc([N+](=O)[O-])nc2)C[C@H](C)O1 ZINC000450457325 405908870 /nfs/dbraw/zinc/90/88/70/405908870.db2.gz RPRITGBZEXAZKL-VNHYZAJKSA-N 1 0 320.393 2.068 10 5 DEBERO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000571619393 406542913 /nfs/dbraw/zinc/54/29/13/406542913.db2.gz QDPFCIFTFCQCDY-OLZOCXBDSA-N 1 0 305.378 2.156 10 5 DEBERO CCc1c(I)cc([N+](=O)[O-])cc1C[NH3+] ZINC000575726276 406825201 /nfs/dbraw/zinc/82/52/01/406825201.db2.gz SRTCHLDUNVUEKW-UHFFFAOYSA-N 1 0 306.103 2.221 10 5 DEBERO CCc1cc(I)cc([N+](=O)[O-])c1C[NH3+] ZINC000575726569 406825681 /nfs/dbraw/zinc/82/56/81/406825681.db2.gz WICBQKLSQGLIPI-UHFFFAOYSA-N 1 0 306.103 2.221 10 5 DEBERO C[C@@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000087834102 274361253 /nfs/dbraw/zinc/36/12/53/274361253.db2.gz VSBLBRGKCDWFTB-MRVPVSSYSA-N 1 0 300.156 2.155 10 5 DEBERO C[C@H]1[NH2+]CCC[C@@H]1Nc1c(Br)cncc1[N+](=O)[O-] ZINC000235617293 274630782 /nfs/dbraw/zinc/63/07/82/274630782.db2.gz IXOXWDLLYYSLDZ-APPZFPTMSA-N 1 0 315.171 2.305 10 5 DEBERO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000128964913 277936874 /nfs/dbraw/zinc/93/68/74/277936874.db2.gz SCPRWGCSEWEJKK-LBPRGKRZSA-N 1 0 323.393 2.310 10 5 DEBERO COC(=O)c1cc(N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301956350 533849118 /nfs/dbraw/zinc/84/91/18/533849118.db2.gz MJALJACLGBHOED-SMDDNHRTSA-N 1 0 321.377 2.158 10 5 DEBERO COC(=O)/C=C\c1ccc(NCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000255008812 622948250 /nfs/dbraw/zinc/94/82/50/622948250.db2.gz UNVOVLYGOYLIJI-VURMDHGXSA-N 1 0 307.350 2.145 10 5 DEBERO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)cn1 ZINC000735486405 633512167 /nfs/dbraw/zinc/51/21/67/633512167.db2.gz BMUJXIORUNPNCS-AWEZNQCLSA-N 1 0 306.366 2.045 10 5 DEBERO C/C(=C/C(=O)NCC[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000751495598 639087218 /nfs/dbraw/zinc/08/72/18/639087218.db2.gz SYOMKIGXFWJVDG-QXMHVHEDSA-N 1 0 303.362 2.209 10 5 DEBERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000248262053 685155988 /nfs/dbraw/zinc/15/59/88/685155988.db2.gz WNNDGAJGPMJNLW-HNNXBMFYSA-N 1 0 322.361 2.108 10 5 DEBERO CC(C)(NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000162241055 197554879 /nfs/dbraw/zinc/55/48/79/197554879.db2.gz BZIJQEQTBLLPKZ-WCQYABFASA-N 1 0 305.378 2.464 10 5 DEBERO CC1(C)CC[C@H]([NH3+])[C@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000081942397 192343996 /nfs/dbraw/zinc/34/39/96/192343996.db2.gz UTFQBFXJPYTZTR-QWHCGFSZSA-N 1 0 312.391 2.275 10 5 DEBERO CCC[NH2+][C@H](C)CCS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081943015 192344595 /nfs/dbraw/zinc/34/45/95/192344595.db2.gz RLKGUWRPBMZPEB-LLVKDONJSA-N 1 0 300.380 2.147 10 5 DEBERO CCC[NH2+][C@@H](C)[C@@H](C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081961520 192345460 /nfs/dbraw/zinc/34/54/60/192345460.db2.gz TZJRJBINJFUQIO-WDEREUQCSA-N 1 0 300.380 2.145 10 5 DEBERO CCC[NH2+][C@@H](C)[C@H](C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081961523 192345529 /nfs/dbraw/zinc/34/55/29/192345529.db2.gz TZJRJBINJFUQIO-QWRGUYRKSA-N 1 0 300.380 2.145 10 5 DEBERO CC[C@@H](C[NH3+])C(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000087521685 185227646 /nfs/dbraw/zinc/22/76/46/185227646.db2.gz QPFSEZMYNSVKMU-ZETCQYMHSA-N 1 0 316.155 2.281 10 5 DEBERO CC(C)C[NH2+]C[C@H](O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000123555508 185818823 /nfs/dbraw/zinc/81/88/23/185818823.db2.gz WMNHRWCCPZQPIC-NSHDSACASA-N 1 0 302.758 2.234 10 5 DEBERO COc1ccc(OCC[N@H+](C)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000173545806 198225536 /nfs/dbraw/zinc/22/55/36/198225536.db2.gz RJIRQEHYKCUGMW-CYBMUJFWSA-N 1 0 310.350 2.093 10 5 DEBERO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181833216 356096778 /nfs/dbraw/zinc/09/67/78/356096778.db2.gz TYOGHLXNQKSTJS-PWSUYJOCSA-N 1 0 314.407 2.235 10 5 DEBERO C[C@H](C(=O)N1[C@H](C)C[NH+](C)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000185175498 356203451 /nfs/dbraw/zinc/20/34/51/356203451.db2.gz UFHZMMMSZPXGEA-UTUOFQBUSA-N 1 0 323.368 2.388 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188900109 200318861 /nfs/dbraw/zinc/31/88/61/200318861.db2.gz NOVWWQXUXYMJKL-CQSZACIVSA-N 1 0 321.421 2.180 10 5 DEBERO COC[C@@](C)(CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000611479870 361606090 /nfs/dbraw/zinc/60/60/90/361606090.db2.gz FPWMFRXLIMCTNC-MRXNPFEDSA-N 1 0 320.345 2.342 10 5 DEBERO [NH3+][C@H]1CCC[C@H](Oc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000093219886 193218137 /nfs/dbraw/zinc/21/81/37/193218137.db2.gz QGFUTQFLVICICP-IUCAKERBSA-N 1 0 316.155 2.401 10 5 DEBERO NC(=O)[C@]1([NH3+])CCC[C@@H]1CCSc1ccccc1[N+](=O)[O-] ZINC000093627084 193276513 /nfs/dbraw/zinc/27/65/13/193276513.db2.gz ZFMAXHWGWSBBDU-YGRLFVJLSA-N 1 0 309.391 2.060 10 5 DEBERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042428653 183269110 /nfs/dbraw/zinc/26/91/10/183269110.db2.gz KKUBJRAGWWGARQ-ZJUUUORDSA-N 1 0 311.769 2.334 10 5 DEBERO CCC[NH2+][C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301185 183352487 /nfs/dbraw/zinc/35/24/87/183352487.db2.gz ZGMIVSYGIZRBNM-OCCSQVGLSA-N 1 0 312.391 2.070 10 5 DEBERO CC[C@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159462445 197355579 /nfs/dbraw/zinc/35/55/79/197355579.db2.gz JYCHACOYLNCVIV-QMMMGPOBSA-N 1 0 302.128 2.033 10 5 DEBERO CC[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159455021 197355425 /nfs/dbraw/zinc/35/54/25/197355425.db2.gz PZAZQWCYVCZJBK-UHFFFAOYSA-N 1 0 316.155 2.295 10 5 DEBERO CCC[NH2+]CCOc1ncc(Br)cc1[N+](=O)[O-] ZINC000051869556 183839218 /nfs/dbraw/zinc/83/92/18/183839218.db2.gz YRKOOCSGTKJIOM-UHFFFAOYSA-N 1 0 304.144 2.131 10 5 DEBERO CC[C@@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000120706177 195220854 /nfs/dbraw/zinc/22/08/54/195220854.db2.gz ALUKFQZCJFCRSG-GDBMZVCRSA-N 1 0 321.421 2.180 10 5 DEBERO COC(=O)CC[NH2+]Cc1cc(Br)ccc1[N+](=O)[O-] ZINC000122042257 195392842 /nfs/dbraw/zinc/39/28/42/195392842.db2.gz ZEGDZURUIQTTCG-UHFFFAOYSA-N 1 0 317.139 2.010 10 5 DEBERO CSc1cccc(C(=O)N(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000548605495 285762821 /nfs/dbraw/zinc/76/28/21/285762821.db2.gz NJBOUIDETAPQHH-UHFFFAOYSA-N 1 0 311.407 2.340 10 5 DEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247193121 145128805 /nfs/dbraw/zinc/12/88/05/145128805.db2.gz BNGYQZKYOJFNEF-JSGCOSHPSA-N 1 0 305.378 2.397 10 5 DEBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000247389789 145135811 /nfs/dbraw/zinc/13/58/11/145135811.db2.gz QHAQDQJBXTZXOB-SWLSCSKDSA-N 1 0 320.393 2.123 10 5 DEBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000261713733 145219521 /nfs/dbraw/zinc/21/95/21/145219521.db2.gz VPKNGDQKYPZPEP-NWSOVMFYSA-N 1 0 321.352 2.370 10 5 DEBERO Cc1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1[N+](=O)[O-] ZINC000128547089 401782311 /nfs/dbraw/zinc/78/23/11/401782311.db2.gz YXVMQQCOVIHTQP-HNNXBMFYSA-N 1 0 315.377 2.407 10 5 DEBERO C[C@H]1C[C@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000123878785 402151824 /nfs/dbraw/zinc/15/18/24/402151824.db2.gz UHIJASXSQHNIKP-UONOGXRCSA-N 1 0 307.394 2.388 10 5 DEBERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000158305698 402304548 /nfs/dbraw/zinc/30/45/48/402304548.db2.gz UOCKHQKWSXXCJP-BRWVUGGUSA-N 1 0 320.389 2.406 10 5 DEBERO C[C@@H](CO)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162458009 402420687 /nfs/dbraw/zinc/42/06/87/402420687.db2.gz DMZKSCJIRXDIHI-QMMMGPOBSA-N 1 0 303.156 2.170 10 5 DEBERO C[C@@H]1C[C@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000174393231 402739075 /nfs/dbraw/zinc/73/90/75/402739075.db2.gz KHWGOGPGICFQMU-TZMCWYRMSA-N 1 0 320.393 2.219 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000183219725 402747770 /nfs/dbraw/zinc/74/77/70/402747770.db2.gz PYYWQWRJNUQKEB-AWEZNQCLSA-N 1 0 315.377 2.407 10 5 DEBERO CCO[C@@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C12CCCC2 ZINC000174872867 402760796 /nfs/dbraw/zinc/76/07/96/402760796.db2.gz MYZKFGVEZKXSHM-LSDHHAIUSA-N 1 0 322.409 2.461 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1cccc(C(N)=O)c1 ZINC000183411624 402765046 /nfs/dbraw/zinc/76/50/46/402765046.db2.gz IXOPNIVNBUMOSH-UHFFFAOYSA-N 1 0 313.357 2.334 10 5 DEBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000194730969 402813032 /nfs/dbraw/zinc/81/30/32/402813032.db2.gz QZRSTKTYJFSEKH-YPMHNXCESA-N 1 0 323.418 2.286 10 5 DEBERO CC[C@@H](NC(=O)NC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000175556498 402817552 /nfs/dbraw/zinc/81/75/52/402817552.db2.gz VMNZPCAIIMSCAF-OAHLLOKOSA-N 1 0 320.393 2.439 10 5 DEBERO C[C@@H]1C[C@H](Nc2ccncc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000361044032 404891747 /nfs/dbraw/zinc/89/17/47/404891747.db2.gz REBPOGNVKPRYPN-HIFRSBDPSA-N 1 0 312.373 2.487 10 5 DEBERO CC(=O)c1cc(N2CCn3cc(C)nc3C2)ccc1[N+](=O)[O-] ZINC000367425797 405044452 /nfs/dbraw/zinc/04/44/52/405044452.db2.gz IHXLEOQHBYZXQA-UHFFFAOYSA-N 1 0 300.318 2.323 10 5 DEBERO CN(CCC[NH+](C)C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000537214761 406286830 /nfs/dbraw/zinc/28/68/30/406286830.db2.gz VJZQKAQNSYGRAN-UHFFFAOYSA-N 1 0 304.350 2.100 10 5 DEBERO CCc1cc(I)c(C[NH3+])c([N+](=O)[O-])c1 ZINC000575726898 406825514 /nfs/dbraw/zinc/82/55/14/406825514.db2.gz ZCTCLCMUGXMZKU-UHFFFAOYSA-N 1 0 306.103 2.221 10 5 DEBERO CC[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000069143133 286931787 /nfs/dbraw/zinc/93/17/87/286931787.db2.gz ZLJRILMURRQOOA-GXTWGEPZSA-N 1 0 312.391 2.213 10 5 DEBERO C[N@@H+]1CCC[C@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]21 ZINC000278170446 277085059 /nfs/dbraw/zinc/08/50/59/277085059.db2.gz AYNSYDVLRVVFDF-XHDPSFHLSA-N 1 0 315.377 2.392 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000182811551 281022031 /nfs/dbraw/zinc/02/20/31/281022031.db2.gz DGBNVYJTKYFAPJ-HOCLYGCPSA-N 1 0 319.405 2.371 10 5 DEBERO CN(c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC[NH2+]C1 ZINC000071311621 623911191 /nfs/dbraw/zinc/91/11/91/623911191.db2.gz CMHNFYIPOGEKIM-SECBINFHSA-N 1 0 300.156 2.155 10 5 DEBERO C/C(=C\C(=O)NC[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752119781 639157229 /nfs/dbraw/zinc/15/72/29/639157229.db2.gz FLFYMHXBMSFCMG-JWAFFJSPSA-N 1 0 317.389 2.456 10 5 DEBERO [NH3+][C@@H]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000087834823 646737463 /nfs/dbraw/zinc/73/74/63/646737463.db2.gz WBAVUKUOMVEPPJ-SECBINFHSA-N 1 0 300.156 2.285 10 5 DEBERO C[C@@H]1C[C@H](N(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000246366397 685128741 /nfs/dbraw/zinc/12/87/41/685128741.db2.gz XYWVZIWRVQZZHJ-XNRPHZJLSA-N 1 0 307.394 2.043 10 5 DEBERO CCC[C@H]([NH2+][C@H](C)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000081902689 192337232 /nfs/dbraw/zinc/33/72/32/192337232.db2.gz BTACREVTTPPSTM-RISCZKNCSA-N 1 0 314.407 2.459 10 5 DEBERO C[NH2+][C@H]1CCCCC[C@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942316 192344077 /nfs/dbraw/zinc/34/40/77/192344077.db2.gz JRXSKSOPNWOGLL-UONOGXRCSA-N 1 0 312.391 2.289 10 5 DEBERO CCC[C@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH2+]CC ZINC000081942100 192344302 /nfs/dbraw/zinc/34/43/02/192344302.db2.gz JRTWLTOBQKTBSO-LLVKDONJSA-N 1 0 300.380 2.147 10 5 DEBERO C[NH2+][C@@H](C)CCCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942215 192344367 /nfs/dbraw/zinc/34/43/67/192344367.db2.gz KPMJGQMLOJQUSV-NSHDSACASA-N 1 0 300.380 2.147 10 5 DEBERO [NH3+][C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000081942089 192344432 /nfs/dbraw/zinc/34/44/32/192344432.db2.gz QLQDKHXQZGOWIN-AWEZNQCLSA-N 1 0 306.343 2.069 10 5 DEBERO C[NH2+][C@@H]1CCCCC[C@@H]1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942968 192344573 /nfs/dbraw/zinc/34/45/73/192344573.db2.gz BTOPEYQEWSBXNL-YPMHNXCESA-N 1 0 312.391 2.289 10 5 DEBERO CC[C@@H]1CC[C@H]([NH3+])[C@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000081941955 192344615 /nfs/dbraw/zinc/34/46/15/192344615.db2.gz YPRGWEZJQHNGRJ-DDTOSNHZSA-N 1 0 312.391 2.275 10 5 DEBERO COc1ccc(-c2nnc(C[NH2+]C3CC3)s2)cc1[N+](=O)[O-] ZINC000088815235 185266406 /nfs/dbraw/zinc/26/64/06/185266406.db2.gz UZQRGTUHQPYEJN-UHFFFAOYSA-N 1 0 306.347 2.374 10 5 DEBERO O=[N+]([O-])c1ccc(Br)cc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000090322904 185291116 /nfs/dbraw/zinc/29/11/16/185291116.db2.gz HNBQMQDPUFQCGQ-IUCAKERBSA-N 1 0 312.167 2.013 10 5 DEBERO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCCCO1 ZINC000090554125 185302623 /nfs/dbraw/zinc/30/26/23/185302623.db2.gz UBFVUUWACCLLOY-OAHLLOKOSA-N 1 0 323.393 2.038 10 5 DEBERO C[C@H](C[NH3+])CC(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000149825301 186052961 /nfs/dbraw/zinc/05/29/61/186052961.db2.gz CYSMWVSWOMBHIT-ZETCQYMHSA-N 1 0 316.155 2.281 10 5 DEBERO Cc1sc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155722111 186106526 /nfs/dbraw/zinc/10/65/26/186106526.db2.gz BTXCQNUFGIYRFC-GXSJLCMTSA-N 1 0 311.407 2.423 10 5 DEBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236797404 202012516 /nfs/dbraw/zinc/01/25/16/202012516.db2.gz BGWNXAIFKJJBLW-ZIAGYGMSSA-N 1 0 305.378 2.459 10 5 DEBERO COC(=O)c1cc(N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000092668240 355644812 /nfs/dbraw/zinc/64/48/12/355644812.db2.gz MJALJACLGBHOED-FZMZJTMJSA-N 1 0 321.377 2.158 10 5 DEBERO CC(C)c1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000188120564 200196729 /nfs/dbraw/zinc/19/67/29/200196729.db2.gz UOGRODKWXOXKGM-CYBMUJFWSA-N 1 0 305.378 2.494 10 5 DEBERO C[C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C[NH2+]1 ZINC000600954420 359870392 /nfs/dbraw/zinc/87/03/92/359870392.db2.gz BBUSNSUHVRTIFJ-SFYZADRCSA-N 1 0 315.171 2.305 10 5 DEBERO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000093522904 193263218 /nfs/dbraw/zinc/26/32/18/193263218.db2.gz IDOODSIOODTZQK-LLVKDONJSA-N 1 0 314.407 2.377 10 5 DEBERO C[NH2+][C@@H]1CCC[C@H]1CCS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000093623465 193275756 /nfs/dbraw/zinc/27/57/56/193275756.db2.gz OKTARZBRMQONCT-NWDGAFQWSA-N 1 0 312.391 2.147 10 5 DEBERO CC[NH2+][C@]1(C(N)=O)CC[C@H](Sc2ccccc2[N+](=O)[O-])C1 ZINC000093848701 193318082 /nfs/dbraw/zinc/31/80/82/193318082.db2.gz AQHHUUBMYDZNRC-IINYFYTJSA-N 1 0 309.391 2.073 10 5 DEBERO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H](C)C(N)=[NH2+] ZINC000094296601 193357258 /nfs/dbraw/zinc/35/72/58/193357258.db2.gz TYVZRYMYPMKVOG-LURJTMIESA-N 1 0 302.128 2.369 10 5 DEBERO CC(C)([NH3+])C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094188648 193347721 /nfs/dbraw/zinc/34/77/21/193347721.db2.gz RNZKYWFECRVQEM-UHFFFAOYSA-N 1 0 302.128 2.033 10 5 DEBERO CC(C)([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000040922237 183148772 /nfs/dbraw/zinc/14/87/72/183148772.db2.gz VCMMBOUHTODJGM-UHFFFAOYSA-N 1 0 302.128 2.033 10 5 DEBERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042428651 183269204 /nfs/dbraw/zinc/26/92/04/183269204.db2.gz DFQXFAXMRWSFEA-MWLCHTKSSA-N 1 0 311.769 2.334 10 5 DEBERO CCC[NH2+][C@@H](c1csc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301501 183352091 /nfs/dbraw/zinc/35/20/91/183352091.db2.gz DTJSGBMNKMPBFY-JOYOIKCWSA-N 1 0 318.420 2.132 10 5 DEBERO CCOCC[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000106110953 194187994 /nfs/dbraw/zinc/18/79/94/194187994.db2.gz SKDGRCTUWPBMHG-AWEZNQCLSA-N 1 0 321.421 2.446 10 5 DEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000113270262 194575669 /nfs/dbraw/zinc/57/56/69/194575669.db2.gz XPCOQXHMRNGVRH-DZGCQCFKSA-N 1 0 305.378 2.142 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000113270260 194576098 /nfs/dbraw/zinc/57/60/98/194576098.db2.gz XPCOQXHMRNGVRH-UKRRQHHQSA-N 1 0 305.378 2.142 10 5 DEBERO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000537963694 285023275 /nfs/dbraw/zinc/02/32/75/285023275.db2.gz SLPSFJBPDKAXOM-CHWSQXEVSA-N 1 0 320.393 2.358 10 5 DEBERO Cc1cc([N+](=O)[O-])c(Cl)cc1N1C[C@@H](O)C[C@@H]1C[NH+](C)C ZINC000157728131 197210628 /nfs/dbraw/zinc/21/06/28/197210628.db2.gz XJBKHOXCYWJFIR-MNOVXSKESA-N 1 0 313.785 2.058 10 5 DEBERO Cc1c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000155552006 197065421 /nfs/dbraw/zinc/06/54/21/197065421.db2.gz YDCTVRFJTNQLFM-FZMZJTMJSA-N 1 0 305.378 2.362 10 5 DEBERO Cc1cccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000155322234 197044070 /nfs/dbraw/zinc/04/40/70/197044070.db2.gz APAOPNPTUWEDPC-GXTWGEPZSA-N 1 0 305.378 2.362 10 5 DEBERO COc1cccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000194677447 533418262 /nfs/dbraw/zinc/41/82/62/533418262.db2.gz PMYOKGYQSMNLRA-AAEUAGOBSA-N 1 0 321.377 2.062 10 5 DEBERO Cc1cc(NC[C@H](CO)C2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000357786225 133099919 /nfs/dbraw/zinc/09/99/19/133099919.db2.gz UFJBGJYOZAVERX-GFCCVEGCSA-N 1 0 301.346 2.304 10 5 DEBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246201676 145094634 /nfs/dbraw/zinc/09/46/34/145094634.db2.gz JETPPYYKEVUAAZ-BXUZGUMPSA-N 1 0 306.366 2.445 10 5 DEBERO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000247336025 145134213 /nfs/dbraw/zinc/13/42/13/145134213.db2.gz JADXZNQAFYUYQL-JSGCOSHPSA-N 1 0 305.378 2.458 10 5 DEBERO COc1ccc(OCC[N@@H+]2CC[C@H](C)[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000251798016 145196411 /nfs/dbraw/zinc/19/64/11/145196411.db2.gz MDYGKUPAFKEGCM-BLLLJJGKSA-N 1 0 324.377 2.339 10 5 DEBERO Cc1c(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cccc1[N+](=O)[O-] ZINC000261894042 145238876 /nfs/dbraw/zinc/23/88/76/145238876.db2.gz ODAKJWRMSBJAFA-YUELXQCFSA-N 1 0 317.389 2.440 10 5 DEBERO CCC[N@@H+]1CCC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000359511887 147340373 /nfs/dbraw/zinc/34/03/73/147340373.db2.gz BXVAFYAZNDTTCS-HNNXBMFYSA-N 1 0 305.378 2.128 10 5 DEBERO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000076300017 401789889 /nfs/dbraw/zinc/78/98/89/401789889.db2.gz CTYBOZMGFWXUBZ-CQSZACIVSA-N 1 0 307.350 2.034 10 5 DEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076485582 401796446 /nfs/dbraw/zinc/79/64/46/401796446.db2.gz MROHWAASEBYMNE-IUODEOHRSA-N 1 0 305.378 2.397 10 5 DEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076489944 401796721 /nfs/dbraw/zinc/79/67/21/401796721.db2.gz JKNCIKISEPIEGJ-ZYHUDNBSSA-N 1 0 311.407 2.459 10 5 DEBERO C[NH+](C)C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000116278743 401847453 /nfs/dbraw/zinc/84/74/53/401847453.db2.gz YWOCKMJYFMUOEH-ZDUSSCGKSA-N 1 0 313.785 2.011 10 5 DEBERO O=[N+]([O-])c1ccc2nc(OCC[C@@H]3CCC[NH2+]C3)cnc2c1 ZINC000095092010 402025655 /nfs/dbraw/zinc/02/56/55/402025655.db2.gz GYXBGEDFKRDEFT-NSHDSACASA-N 1 0 302.334 2.307 10 5 DEBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054794916 402071961 /nfs/dbraw/zinc/07/19/61/402071961.db2.gz REJRMTQIYHTIAJ-LLVKDONJSA-N 1 0 309.341 2.338 10 5 DEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000122311021 402072012 /nfs/dbraw/zinc/07/20/12/402072012.db2.gz CIRHNWKLAUBIBX-GHMZBOCLSA-N 1 0 311.407 2.459 10 5 DEBERO CN1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1=O ZINC000152354696 402091256 /nfs/dbraw/zinc/09/12/56/402091256.db2.gz MHIKUJMKRKAXKE-LSDHHAIUSA-N 1 0 317.389 2.126 10 5 DEBERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000123079876 402109427 /nfs/dbraw/zinc/10/94/27/402109427.db2.gz IQBUGNPEVKOFOL-LLVKDONJSA-N 1 0 324.381 2.455 10 5 DEBERO C[C@@H]1C[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])CCN1C ZINC000123356324 402123551 /nfs/dbraw/zinc/12/35/51/402123551.db2.gz MLCXINTVJOKMAM-KGLIPLIRSA-N 1 0 307.394 2.388 10 5 DEBERO CCOCC[N@@H+]1CCN(c2nc(C)ccc2[N+](=O)[O-])C[C@@H]1CC ZINC000124706774 402192933 /nfs/dbraw/zinc/19/29/33/402192933.db2.gz KCLWCGQZDYYUGE-AWEZNQCLSA-N 1 0 322.409 2.235 10 5 DEBERO Cc1csc([C@@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000176222639 402292161 /nfs/dbraw/zinc/29/21/61/402292161.db2.gz NWGJUGOSXBATAI-GFCCVEGCSA-N 1 0 321.406 2.436 10 5 DEBERO CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000176461569 402311665 /nfs/dbraw/zinc/31/16/65/402311665.db2.gz RGAIWEHVSUFFRL-JSGCOSHPSA-N 1 0 320.393 2.123 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000176966909 402355354 /nfs/dbraw/zinc/35/53/54/402355354.db2.gz UMMVHJLAFJTBDV-ZDUSSCGKSA-N 1 0 321.377 2.160 10 5 DEBERO O=[N+]([O-])c1cncc(Br)c1NCC1CC[NH2+]CC1 ZINC000232478488 402358011 /nfs/dbraw/zinc/35/80/11/402358011.db2.gz RJGPJEKKVFVDAW-UHFFFAOYSA-N 1 0 315.171 2.164 10 5 DEBERO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177759486 402433320 /nfs/dbraw/zinc/43/33/20/402433320.db2.gz BFLILKMDVXQFDG-OAHLLOKOSA-N 1 0 305.378 2.274 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000247020719 402553581 /nfs/dbraw/zinc/55/35/81/402553581.db2.gz SLPHSJLSVVESTN-HIFRSBDPSA-N 1 0 303.362 2.294 10 5 DEBERO Cc1sc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000247556631 402571979 /nfs/dbraw/zinc/57/19/79/402571979.db2.gz ZSDQRORKAMYGIB-KOLCDFICSA-N 1 0 309.391 2.273 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000246171390 402515079 /nfs/dbraw/zinc/51/50/79/402515079.db2.gz LJIGKHSDZYOGLY-CJNGLKHVSA-N 1 0 317.389 2.223 10 5 DEBERO C[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000170831862 402531030 /nfs/dbraw/zinc/53/10/30/402531030.db2.gz JEVKZEWEUDFTIA-BXUZGUMPSA-N 1 0 306.366 2.001 10 5 DEBERO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248751567 402607264 /nfs/dbraw/zinc/60/72/64/402607264.db2.gz GXURPRRZQIMSFD-CHWSQXEVSA-N 1 0 305.378 2.362 10 5 DEBERO CC[C@@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000181552491 402649694 /nfs/dbraw/zinc/64/96/94/402649694.db2.gz RDEKZOAYQIAVIU-BXUZGUMPSA-N 1 0 314.407 2.316 10 5 DEBERO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cccc([N+](=O)[O-])c1 ZINC000191212974 402651320 /nfs/dbraw/zinc/65/13/20/402651320.db2.gz VNHQSSZZUKLUMT-SNPRPXQTSA-N 1 0 304.346 2.368 10 5 DEBERO C[C@@H]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1C[NH3+] ZINC000261738338 402716455 /nfs/dbraw/zinc/71/64/55/402716455.db2.gz RWWBOAJZXGJHAS-PSASIEDQSA-N 1 0 307.379 2.163 10 5 DEBERO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000183332517 402757516 /nfs/dbraw/zinc/75/75/16/402757516.db2.gz QUDXGIKZOYEDQP-GDBMZVCRSA-N 1 0 321.421 2.180 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000183398299 402763067 /nfs/dbraw/zinc/76/30/67/402763067.db2.gz ZLOJDHTYGCDREJ-UHFFFAOYSA-N 1 0 315.377 2.407 10 5 DEBERO C[NH+](C)C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000175582625 402818928 /nfs/dbraw/zinc/81/89/28/402818928.db2.gz SBLBJOZRGGDSKH-UHFFFAOYSA-N 1 0 304.350 2.262 10 5 DEBERO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195091917 402830999 /nfs/dbraw/zinc/83/09/99/402830999.db2.gz WOJKYSBIPWHOEL-YXMGTMDOSA-N 1 0 315.373 2.305 10 5 DEBERO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)N1CCOC[C@H]1C ZINC000301282438 403610638 /nfs/dbraw/zinc/61/06/38/403610638.db2.gz OZADMFDDCRQMKY-VHSXEESVSA-N 1 0 314.773 2.164 10 5 DEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000344855557 404407446 /nfs/dbraw/zinc/40/74/46/404407446.db2.gz FJLZYDBCRSRERM-UNJUUPHPSA-N 1 0 303.362 2.209 10 5 DEBERO CCc1cc(C[NH3+])c(I)cc1[N+](=O)[O-] ZINC000575725683 406825233 /nfs/dbraw/zinc/82/52/33/406825233.db2.gz MNDLNPPTZWZYDI-UHFFFAOYSA-N 1 0 306.103 2.221 10 5 DEBERO C[C@H]1C[NH2+]C[C@H](COCc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000132710844 196277620 /nfs/dbraw/zinc/27/76/20/196277620.db2.gz ZAEWPTLXKRRLNO-JOYOIKCWSA-N 1 0 300.742 2.142 10 5 DEBERO CC[NH2+][C@@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](C)CC ZINC000132786721 196283518 /nfs/dbraw/zinc/28/35/18/196283518.db2.gz VVQNHFRSXFXPJC-NEPJUHHUSA-N 1 0 314.407 2.393 10 5 DEBERO C[C@H]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@@H]1C[NH3+] ZINC000261738344 274555975 /nfs/dbraw/zinc/55/59/75/274555975.db2.gz RWWBOAJZXGJHAS-WCBMZHEXSA-N 1 0 307.379 2.163 10 5 DEBERO CCOCC[N@@H+]1CCN(c2nccc(C)c2[N+](=O)[O-])C[C@H]1CC ZINC000115517116 276324007 /nfs/dbraw/zinc/32/40/07/276324007.db2.gz CQFMOGZWRSZCMY-CQSZACIVSA-N 1 0 322.409 2.235 10 5 DEBERO CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246903215 519624768 /nfs/dbraw/zinc/62/47/68/519624768.db2.gz RMTAIXMKMUPGCM-TZMCWYRMSA-N 1 0 305.378 2.456 10 5 DEBERO CC1(C)CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000261601856 535348097 /nfs/dbraw/zinc/34/80/97/535348097.db2.gz BWROIQGCXSLCGG-LBPRGKRZSA-N 1 0 311.769 2.448 10 5 DEBERO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)[C@H](C)CO ZINC000235452741 625795275 /nfs/dbraw/zinc/79/52/75/625795275.db2.gz YWFABVZHXZBYTL-RKDXNWHRSA-N 1 0 317.183 2.464 10 5 DEBERO C/C(=C\C(=O)NCC[N@H+]1CC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752500249 639190953 /nfs/dbraw/zinc/19/09/53/639190953.db2.gz CGNZZECSHFCKKW-UQRISPGASA-N 1 0 317.389 2.456 10 5 DEBERO Cc1cc2oc(=O)cc(C[N+]34CCN(CC3)CC4)c2cc1Cl ZINC000022308133 717113569 /nfs/dbraw/zinc/11/35/69/717113569.db2.gz KCRPAXCWTKUTLO-UHFFFAOYSA-N 1 0 319.812 2.401 10 5 DEBERO CC(C)(C)OC(=O)N1CC[NH2+][C@H](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000095629310 185382992 /nfs/dbraw/zinc/38/29/92/185382992.db2.gz UQDGAGBWYHOHNY-CYBMUJFWSA-N 1 0 321.377 2.346 10 5 DEBERO CCC[C@@H]([NH3+])[C@@H](CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942155 192343924 /nfs/dbraw/zinc/34/39/24/192343924.db2.gz YZNZITMFJRVYBK-CHWSQXEVSA-N 1 0 300.380 2.275 10 5 DEBERO CC[NH2+][C@H](C)CCCS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942816 192344093 /nfs/dbraw/zinc/34/40/93/192344093.db2.gz DEWZPYJVWYBCLS-LLVKDONJSA-N 1 0 300.380 2.147 10 5 DEBERO C[C@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C[NH2+]1 ZINC000600954419 359869900 /nfs/dbraw/zinc/86/99/00/359869900.db2.gz BBUSNSUHVRTIFJ-JGVFFNPUSA-N 1 0 315.171 2.305 10 5 DEBERO CCOc1ccc(C(=O)N(C)CCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000610111722 361360101 /nfs/dbraw/zinc/36/01/01/361360101.db2.gz AAPDLZYTGPGDGE-UHFFFAOYSA-N 1 0 323.393 2.407 10 5 DEBERO CC(C)[NH2+]CCNc1ncc([N+](=O)[O-])cc1Br ZINC000093434299 193250621 /nfs/dbraw/zinc/25/06/21/193250621.db2.gz VVLRNHUCYAWSJG-UHFFFAOYSA-N 1 0 303.160 2.162 10 5 DEBERO C[NH2+][C@@]1(C(N)=O)CCC[C@@H](Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000093776239 193305348 /nfs/dbraw/zinc/30/53/48/193305348.db2.gz WSTMMVDSJCJIAK-OCCSQVGLSA-N 1 0 309.391 2.073 10 5 DEBERO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H](C)C(N)=[NH2+] ZINC000094296602 193356876 /nfs/dbraw/zinc/35/68/76/193356876.db2.gz TYVZRYMYPMKVOG-ZCFIWIBFSA-N 1 0 302.128 2.369 10 5 DEBERO C[C@H](CO)[C@H](C)[NH2+]Cc1cc(Br)ccc1[N+](=O)[O-] ZINC000160797243 197439762 /nfs/dbraw/zinc/43/97/62/197439762.db2.gz QTJBGZJBNHTIDA-BDAKNGLRSA-N 1 0 317.183 2.464 10 5 DEBERO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H]1[NH+](C)C ZINC000160464497 197412901 /nfs/dbraw/zinc/41/29/01/197412901.db2.gz MTQXIDXWEYWUIF-BXKDBHETSA-N 1 0 311.769 2.270 10 5 DEBERO O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[NH2+]1 ZINC000037040238 182864025 /nfs/dbraw/zinc/86/40/25/182864025.db2.gz RTVPJPVSAQOLGS-JTQLQIEISA-N 1 0 314.139 2.048 10 5 DEBERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042428654 183269829 /nfs/dbraw/zinc/26/98/29/183269829.db2.gz KKUBJRAGWWGARQ-UWVGGRQHSA-N 1 0 311.769 2.334 10 5 DEBERO CC[C@@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159457753 197355046 /nfs/dbraw/zinc/35/50/46/197355046.db2.gz JYCHACOYLNCVIV-MRVPVSSYSA-N 1 0 302.128 2.033 10 5 DEBERO [NH3+]C1(C(=O)Nc2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC000159458229 197355075 /nfs/dbraw/zinc/35/50/75/197355075.db2.gz MOZPNEYPKMRDMO-UHFFFAOYSA-N 1 0 314.139 2.177 10 5 DEBERO CCCN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000111010422 194381799 /nfs/dbraw/zinc/38/17/99/194381799.db2.gz PPUBTBXKEYLYEX-SNVBAGLBSA-N 1 0 311.769 2.462 10 5 DEBERO Cc1sc(C(=O)NCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000054779912 183950937 /nfs/dbraw/zinc/95/09/37/183950937.db2.gz CWJNTSNDPMMTCJ-UHFFFAOYSA-N 1 0 311.407 2.426 10 5 DEBERO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604175 184177501 /nfs/dbraw/zinc/17/75/01/184177501.db2.gz KDCFZGQLUVKGAN-UHFFFAOYSA-N 1 0 307.325 2.044 10 5 DEBERO CN(CCC[NH+](C)C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000538315054 285031416 /nfs/dbraw/zinc/03/14/16/285031416.db2.gz CTAIMCBAURDLSE-UHFFFAOYSA-N 1 0 304.350 2.100 10 5 DEBERO O=[N+]([O-])c1cc(F)c(Br)cc1OC[C@H]1CC[NH2+]C1 ZINC000158811575 197303812 /nfs/dbraw/zinc/30/38/12/197303812.db2.gz QIAAMHRUIRLGGV-ZETCQYMHSA-N 1 0 319.130 2.485 10 5 DEBERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000155355447 197047044 /nfs/dbraw/zinc/04/70/44/197047044.db2.gz DWFRTILMJHUSNG-CHWSQXEVSA-N 1 0 305.378 2.078 10 5 DEBERO CCc1ccc(C(=O)N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000188657847 145015071 /nfs/dbraw/zinc/01/50/71/145015071.db2.gz HGZHSIHLBQUDNT-UHFFFAOYSA-N 1 0 303.362 2.077 10 5 DEBERO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000188831297 145018044 /nfs/dbraw/zinc/01/80/44/145018044.db2.gz MYIZNFOSODSVPH-UHFFFAOYSA-N 1 0 309.753 2.168 10 5 DEBERO C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000261549404 145207247 /nfs/dbraw/zinc/20/72/47/145207247.db2.gz IMBPHTMRBTUBLT-GZMMTYOYSA-N 1 0 314.183 2.136 10 5 DEBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CC3)CC2)c2nonc21 ZINC000261722960 145220604 /nfs/dbraw/zinc/22/06/04/145220604.db2.gz LZHUMPPMYJJHBD-UHFFFAOYSA-N 1 0 317.349 2.099 10 5 DEBERO Cc1cc(F)cc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1[N+](=O)[O-] ZINC000261851741 145233744 /nfs/dbraw/zinc/23/37/44/145233744.db2.gz MMKNUAFRLYYCPF-GFCCVEGCSA-N 1 0 309.341 2.242 10 5 DEBERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000151105545 402016513 /nfs/dbraw/zinc/01/65/13/402016513.db2.gz JUGQJLQPXUUQFD-GWCFXTLKSA-N 1 0 309.341 2.192 10 5 DEBERO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237891623 402425340 /nfs/dbraw/zinc/42/53/40/402425340.db2.gz FSVHJAXXRFFPBQ-KKUMJFAQSA-N 1 0 317.389 2.174 10 5 DEBERO Cc1ccc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cc1[N+](=O)[O-] ZINC000186528856 402439068 /nfs/dbraw/zinc/43/90/68/402439068.db2.gz HMQSVPCVQINAHO-ZDUSSCGKSA-N 1 0 303.362 2.260 10 5 DEBERO C[NH2+]C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000237074988 402394430 /nfs/dbraw/zinc/39/44/30/402394430.db2.gz ZKOXNTOJNUJRPA-UHFFFAOYSA-N 1 0 311.769 2.001 10 5 DEBERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000178223333 402473019 /nfs/dbraw/zinc/47/30/19/402473019.db2.gz KUGQRLPDHSHQMQ-WCQYABFASA-N 1 0 315.377 2.414 10 5 DEBERO C[C@@H]1CC[C@](CO)([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000187983094 402514408 /nfs/dbraw/zinc/51/44/08/402514408.db2.gz LFAGCWIEMLJHLY-CJNGLKHVSA-N 1 0 308.378 2.457 10 5 DEBERO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000246259876 402521672 /nfs/dbraw/zinc/52/16/72/402521672.db2.gz KYHRKISXQIUPCL-HYVNUMGLSA-N 1 0 319.405 2.044 10 5 DEBERO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248751575 402606984 /nfs/dbraw/zinc/60/69/84/402606984.db2.gz GXURPRRZQIMSFD-OLZOCXBDSA-N 1 0 305.378 2.362 10 5 DEBERO COc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000123148543 286229739 /nfs/dbraw/zinc/22/97/39/286229739.db2.gz ANTVJRQYPVSIHZ-LLVKDONJSA-N 1 0 309.341 2.417 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000174975326 402767890 /nfs/dbraw/zinc/76/78/90/402767890.db2.gz AKRPOANAZGTVQB-GHMZBOCLSA-N 1 0 309.391 2.355 10 5 DEBERO CCC[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000175424880 402805867 /nfs/dbraw/zinc/80/58/67/402805867.db2.gz WGJQNNURFWQLCN-HOTGVXAUSA-N 1 0 307.394 2.356 10 5 DEBERO C[C@H](CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[S@](C)=O ZINC000129392278 196044346 /nfs/dbraw/zinc/04/43/46/196044346.db2.gz PGKHBBNYBVZURR-AYLIAGHASA-N 1 0 304.799 2.495 10 5 DEBERO CC[NH2+][C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)CC ZINC000132785008 196282931 /nfs/dbraw/zinc/28/29/31/196282931.db2.gz ZXROZDLLCPGLQX-RISCZKNCSA-N 1 0 314.407 2.393 10 5 DEBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H](C)[NH3+] ZINC000134079284 196359372 /nfs/dbraw/zinc/35/93/72/196359372.db2.gz ZHEFSVTUEITSGM-RQJHMYQMSA-N 1 0 316.155 2.279 10 5 DEBERO CCC[NH+]1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000178183978 267573689 /nfs/dbraw/zinc/57/36/89/267573689.db2.gz WRFJXSMXLKLVBO-UHFFFAOYSA-N 1 0 320.393 2.029 10 5 DEBERO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000408208015 277174873 /nfs/dbraw/zinc/17/48/73/277174873.db2.gz KFPADPGDNHQJCL-IINYFYTJSA-N 1 0 322.340 2.292 10 5 DEBERO COc1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000247074343 523728281 /nfs/dbraw/zinc/72/82/81/523728281.db2.gz IZGKVKXMWCHTRR-WCQYABFASA-N 1 0 321.377 2.062 10 5 DEBERO Cc1c(CC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000245926236 525694403 /nfs/dbraw/zinc/69/44/03/525694403.db2.gz HTUNBQRWIVSJGS-DOMZBBRYSA-N 1 0 319.405 2.291 10 5 DEBERO COC(=O)/C=C/c1ccc(NCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000126983746 622771885 /nfs/dbraw/zinc/77/18/85/622771885.db2.gz UNVOVLYGOYLIJI-SOFGYWHQSA-N 1 0 307.350 2.145 10 5 DEBERO [NH3+][C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000043596921 623424870 /nfs/dbraw/zinc/42/48/70/623424870.db2.gz GFRYUQKXSFJUAD-MRVPVSSYSA-N 1 0 300.156 2.285 10 5 DEBERO C[C@H]1[C@@H]([NH3+])CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000310838141 625184620 /nfs/dbraw/zinc/18/46/20/625184620.db2.gz AMZCRUQZFKDRGQ-KWQFWETISA-N 1 0 314.183 2.279 10 5 DEBERO C[C@H]1[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719622558 1089330949 /nfs/dbraw/zinc/33/09/49/1089330949.db2.gz GQJOAUIXFJVMPC-IONNQARKSA-N 1 0 315.171 2.257 10 5 DEBERO CN1CCC[C@H]([NH3+])[C@@H]1c1ccc(Br)cc1[N+](=O)[O-] ZINC000162815644 197594187 /nfs/dbraw/zinc/59/41/87/197594187.db2.gz NJKWXQWFIDHGGX-JQWIXIFHSA-N 1 0 314.183 2.451 10 5 DEBERO C[C@@H](CCO)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000096811554 185388687 /nfs/dbraw/zinc/38/86/87/185388687.db2.gz CMQJCNGAJOFZJO-QMMMGPOBSA-N 1 0 303.156 2.218 10 5 DEBERO C[C@H](O)[C@@](C)(C[NH3+])Cc1ccc([N+](=O)[O-])cc1Br ZINC000087932028 185237504 /nfs/dbraw/zinc/23/75/04/185237504.db2.gz AHQISIYMHVRSFZ-QPUJVOFHSA-N 1 0 317.183 2.246 10 5 DEBERO Cc1c(NC(=O)CC[NH2+][C@H](C)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000183114295 199539329 /nfs/dbraw/zinc/53/93/29/199539329.db2.gz YVPPPMQAUPYVTP-IUODEOHRSA-N 1 0 321.377 2.389 10 5 DEBERO Cc1ccc(NC(=O)Cc2csc(CC[NH3+])n2)c([N+](=O)[O-])c1 ZINC000071696327 191008967 /nfs/dbraw/zinc/00/89/67/191008967.db2.gz PHFGARLMIQQUCO-UHFFFAOYSA-N 1 0 320.374 2.042 10 5 DEBERO CN(CCC[NH+](C)C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000182029017 356105916 /nfs/dbraw/zinc/10/59/16/356105916.db2.gz AZTAFADGTOAMKT-UHFFFAOYSA-N 1 0 304.350 2.100 10 5 DEBERO [NH3+][C@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000382450782 356675596 /nfs/dbraw/zinc/67/55/96/356675596.db2.gz DZTSOWHTYYRVHJ-YUMQZZPRSA-N 1 0 315.171 2.434 10 5 DEBERO CC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000180605976 199183431 /nfs/dbraw/zinc/18/34/31/199183431.db2.gz SKMANNPHYXWMMF-GXTWGEPZSA-N 1 0 301.350 2.242 10 5 DEBERO O=C(c1ccc([N+](=O)[O-])s1)N(CC1CC[NH2+]CC1)C1CC1 ZINC000094023353 193339259 /nfs/dbraw/zinc/33/92/59/193339259.db2.gz ZFPCXPPWCRWUAC-UHFFFAOYSA-N 1 0 309.391 2.261 10 5 DEBERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000061644468 184180235 /nfs/dbraw/zinc/18/02/35/184180235.db2.gz SEVKDPCIYOAUEH-LLVKDONJSA-N 1 0 311.769 2.414 10 5 DEBERO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000537963695 285023244 /nfs/dbraw/zinc/02/32/44/285023244.db2.gz SLPSFJBPDKAXOM-OLZOCXBDSA-N 1 0 320.393 2.358 10 5 DEBERO C[NH2+][C@H]1CCN(c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000158776709 197300635 /nfs/dbraw/zinc/30/06/35/197300635.db2.gz DGHDOTMAEIMICH-ZETCQYMHSA-N 1 0 318.146 2.295 10 5 DEBERO [NH3+]C[C@@H]1CCCN1c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000158779784 197300597 /nfs/dbraw/zinc/30/05/97/197300597.db2.gz NILIAXPJZSEEOL-ZETCQYMHSA-N 1 0 318.146 2.424 10 5 DEBERO CN(c1cc(Br)c(F)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000158753911 197298626 /nfs/dbraw/zinc/29/86/26/197298626.db2.gz AGWIWQVJDWQNHN-SSDOTTSWSA-N 1 0 318.146 2.295 10 5 DEBERO Cc1cc([N+](=O)[O-])c(Cl)cc1N1CCC[N@H+](CCO)CC1 ZINC000157727619 197210980 /nfs/dbraw/zinc/21/09/80/197210980.db2.gz NFVXUMLRPUBISG-UHFFFAOYSA-N 1 0 313.785 2.061 10 5 DEBERO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000156799312 197141625 /nfs/dbraw/zinc/14/16/25/197141625.db2.gz RMTAIXMKMUPGCM-JSGCOSHPSA-N 1 0 305.378 2.456 10 5 DEBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000155413193 197052388 /nfs/dbraw/zinc/05/23/88/197052388.db2.gz CMNXQISERMRHJF-MVQLRYDASA-N 1 0 317.389 2.453 10 5 DEBERO CC[C@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000120929329 195266541 /nfs/dbraw/zinc/26/65/41/195266541.db2.gz CCDDTLSPXQKJKM-INIZCTEOSA-N 1 0 321.421 2.446 10 5 DEBERO CC[C@H](CO)[NH2+]Cc1cc(Br)ccc1[N+](=O)[O-] ZINC000122035970 195392650 /nfs/dbraw/zinc/39/26/50/195392650.db2.gz YJKPZMVHWOHSIQ-SNVBAGLBSA-N 1 0 303.156 2.218 10 5 DEBERO C[C@H](CNCc1cc(Br)ccc1[N+](=O)[O-])[NH+](C)C ZINC000122082169 195398100 /nfs/dbraw/zinc/39/81/00/195398100.db2.gz TXWCAVPRZUNEFB-SECBINFHSA-N 1 0 316.199 2.397 10 5 DEBERO COc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000194450869 533394769 /nfs/dbraw/zinc/39/47/69/533394769.db2.gz LFJLUEDZGQLTLD-NEPJUHHUSA-N 1 0 321.377 2.158 10 5 DEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(CCO)CCOC1 ZINC000344984511 404484811 /nfs/dbraw/zinc/48/48/11/404484811.db2.gz RFNMAYSUCNDTEO-CRPZLVSXSA-N 1 0 320.389 2.377 10 5 DEBERO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccccc1 ZINC000248136168 145148218 /nfs/dbraw/zinc/14/82/18/145148218.db2.gz XNDNCMHERAKZEM-SWLSCSKDSA-N 1 0 315.329 2.363 10 5 DEBERO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000359130539 147267734 /nfs/dbraw/zinc/26/77/34/147267734.db2.gz NERUGPOJQKMICT-MRXNPFEDSA-N 1 0 319.405 2.470 10 5 DEBERO C[N@@H+]1CCC[C@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000130274145 401825569 /nfs/dbraw/zinc/82/55/69/401825569.db2.gz IHQPHAYGNGLCFL-VIFPVBQESA-N 1 0 315.171 2.258 10 5 DEBERO COc1ccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000116317438 401849576 /nfs/dbraw/zinc/84/95/76/401849576.db2.gz TZARGBLGFBDKCB-ZDUSSCGKSA-N 1 0 316.361 2.326 10 5 DEBERO CCOCC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C)C[C@@H]1CC ZINC000116871431 401862553 /nfs/dbraw/zinc/86/25/53/401862553.db2.gz RTXVAQKNGBEZHW-AWEZNQCLSA-N 1 0 322.409 2.235 10 5 DEBERO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000051536331 402034712 /nfs/dbraw/zinc/03/47/12/402034712.db2.gz KEQBZMZRGGMUDF-CQSZACIVSA-N 1 0 304.350 2.297 10 5 DEBERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000052551306 402043580 /nfs/dbraw/zinc/04/35/80/402043580.db2.gz LBGSYEIDGIWMOP-JSGCOSHPSA-N 1 0 320.393 2.439 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](CO)CC(C)C ZINC000185371281 402347399 /nfs/dbraw/zinc/34/73/99/402347399.db2.gz NAZBBTPXHKXPPE-AWEZNQCLSA-N 1 0 323.393 2.181 10 5 DEBERO Cc1c(CC(=O)NCC[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000161705054 402396340 /nfs/dbraw/zinc/39/63/40/402396340.db2.gz JWKRBXJKOPAKOX-CYBMUJFWSA-N 1 0 319.405 2.436 10 5 DEBERO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237205467 402399434 /nfs/dbraw/zinc/39/94/34/402399434.db2.gz BWQNIODWYMXZMW-MZBDJJRSSA-N 1 0 317.389 2.269 10 5 DEBERO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186519103 402438508 /nfs/dbraw/zinc/43/85/08/402438508.db2.gz HOWWBPCKVMIBDR-MRZGDXHCSA-N 1 0 315.373 2.351 10 5 DEBERO O=C(c1ccc([N+](=O)[O-])cc1F)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186531936 402439875 /nfs/dbraw/zinc/43/98/75/402439875.db2.gz XPCXTHIDVOMYDK-SNVBAGLBSA-N 1 0 307.325 2.091 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000182811533 402718206 /nfs/dbraw/zinc/71/82/06/402718206.db2.gz DGBNVYJTKYFAPJ-ZBFHGGJFSA-N 1 0 319.405 2.371 10 5 DEBERO Cc1c(NC(=O)CC[NH2+][C@@H](C)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000183114232 402739971 /nfs/dbraw/zinc/73/99/71/402739971.db2.gz YVPPPMQAUPYVTP-WFASDCNBSA-N 1 0 321.377 2.389 10 5 DEBERO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000194708306 402811827 /nfs/dbraw/zinc/81/18/27/402811827.db2.gz JXJIBXMDYLWDEF-QWHCGFSZSA-N 1 0 303.362 2.212 10 5 DEBERO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195313963 402841425 /nfs/dbraw/zinc/84/14/25/402841425.db2.gz UWXMPEZGFKTOOT-NSHDSACASA-N 1 0 309.753 2.168 10 5 DEBERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278177982 402861892 /nfs/dbraw/zinc/86/18/92/402861892.db2.gz BKJCXRQWIIZLRP-NHYWBVRUSA-N 1 0 315.377 2.392 10 5 DEBERO Nc1nc(N[C@H]2CCC[N@@H+](C3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000301215590 403601339 /nfs/dbraw/zinc/60/13/39/403601339.db2.gz ZPGNGOICUBXYDX-NSHDSACASA-N 1 0 320.397 2.176 10 5 DEBERO C[C@H]1C[N@@H+](C2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)CCO1 ZINC000302789609 403726565 /nfs/dbraw/zinc/72/65/65/403726565.db2.gz FFSSKQIVXXKNKK-LBPRGKRZSA-N 1 0 323.368 2.423 10 5 DEBERO COC1([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000453186067 405288244 /nfs/dbraw/zinc/28/82/44/405288244.db2.gz WNWWASBJDVPVEO-ZDUSSCGKSA-N 1 0 308.378 2.311 10 5 DEBERO C[NH2+][C@@H]1CCN(c2cc(F)c(Br)cc2[N+](=O)[O-])C1 ZINC000129139697 196022797 /nfs/dbraw/zinc/02/27/97/196022797.db2.gz PBBUYYNGJCETFV-SSDOTTSWSA-N 1 0 318.146 2.295 10 5 DEBERO O=[N+]([O-])c1cc(C[NH2+]C2(CO)CCC2)ccc1Br ZINC000133162678 196316778 /nfs/dbraw/zinc/31/67/78/196316778.db2.gz QIFRURDXIAKCCH-UHFFFAOYSA-N 1 0 315.167 2.362 10 5 DEBERO CCN1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000389307799 336022914 /nfs/dbraw/zinc/02/29/14/336022914.db2.gz DQLNBTNDYLHRQG-QMMMGPOBSA-N 1 0 315.171 2.258 10 5 DEBERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000252656486 536472699 /nfs/dbraw/zinc/47/26/99/536472699.db2.gz GNDQZQSAUXMQGR-SMDDNHRTSA-N 1 0 321.352 2.290 10 5 DEBERO COc1cc(C[NH2+]CCN2CC=C(C)CC2)c([N+](=O)[O-])cc1O ZINC000358140814 536797755 /nfs/dbraw/zinc/79/77/55/536797755.db2.gz OXSVGXQMGNSLJO-UHFFFAOYSA-N 1 0 321.377 2.051 10 5 DEBERO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261816896 636550328 /nfs/dbraw/zinc/55/03/28/636550328.db2.gz RXQVMFZMRKSIRL-INIZCTEOSA-N 1 0 316.336 2.275 10 5 DEBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2(CCO)CCCCC2)c1 ZINC000750105656 638713557 /nfs/dbraw/zinc/71/35/57/638713557.db2.gz KNJFFAJELDHZIR-OAHLLOKOSA-N 1 0 308.378 2.303 10 5 DEBERO CC[NH+](CC)CCCNC(=O)c1ccnc(Cl)c1[N+](=O)[O-] ZINC000088798221 185266152 /nfs/dbraw/zinc/26/61/52/185266152.db2.gz GAJDKCVLKJGIQF-UHFFFAOYSA-N 1 0 314.773 2.105 10 5 DEBERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1ccc2scnc2c1[N+](=O)[O-] ZINC000090328681 185291360 /nfs/dbraw/zinc/29/13/60/185291360.db2.gz AZQLQCQFONIPSR-OPRDCNLKSA-N 1 0 304.375 2.249 10 5 DEBERO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000123612838 185826093 /nfs/dbraw/zinc/82/60/93/185826093.db2.gz CWWXSUFSAVUTIF-SECBINFHSA-N 1 0 302.758 2.376 10 5 DEBERO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@H]2C1 ZINC000149233225 186048670 /nfs/dbraw/zinc/04/86/70/186048670.db2.gz AAHLRGNXDJNUIS-JTQLQIEISA-N 1 0 309.753 2.168 10 5 DEBERO CCCC[C@H](C[NH3+])NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000150282347 186056337 /nfs/dbraw/zinc/05/63/37/186056337.db2.gz NNRXOEKCKNFIMK-MRVPVSSYSA-N 1 0 301.293 2.120 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000155723621 186106667 /nfs/dbraw/zinc/10/66/67/186106667.db2.gz TXVKWEBCGRILIR-XJKSGUPXSA-N 1 0 317.389 2.460 10 5 DEBERO Cc1c(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000171886484 198001325 /nfs/dbraw/zinc/00/13/25/198001325.db2.gz GYYXSCPIQASVEE-LBPRGKRZSA-N 1 0 304.350 2.215 10 5 DEBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173100920 198184989 /nfs/dbraw/zinc/18/49/89/198184989.db2.gz YBSQWKCTUPEVCF-CYBMUJFWSA-N 1 0 305.378 2.128 10 5 DEBERO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000174119859 198293993 /nfs/dbraw/zinc/29/39/93/198293993.db2.gz WPFQVNXENHZSRM-AWEZNQCLSA-N 1 0 305.378 2.460 10 5 DEBERO CC[C@@](C)([NH3+])COc1ncc(Br)cc1[N+](=O)[O-] ZINC000080844274 192195711 /nfs/dbraw/zinc/19/57/11/192195711.db2.gz DEGGXXGNXGXBDV-SNVBAGLBSA-N 1 0 304.144 2.259 10 5 DEBERO C[C@@H]([NH3+])C[C@H](C)Nc1c(Br)cncc1[N+](=O)[O-] ZINC000320915834 356448017 /nfs/dbraw/zinc/44/80/17/356448017.db2.gz RHPDVCRLNYCWQC-RQJHMYQMSA-N 1 0 303.160 2.290 10 5 DEBERO CC[NH2+][C@@H]1CC[C@@H](S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000086041327 192547123 /nfs/dbraw/zinc/54/71/23/192547123.db2.gz ZEGPHHIDLDKELZ-NQBHXWOUSA-N 1 0 312.391 2.145 10 5 DEBERO CC1([NH3+])CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000591435375 357721873 /nfs/dbraw/zinc/72/18/73/357721873.db2.gz PQNVYQYSZRZZAP-UHFFFAOYSA-N 1 0 315.171 2.070 10 5 DEBERO Cn1cc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])nn1 ZINC000611973537 361716565 /nfs/dbraw/zinc/71/65/65/361716565.db2.gz MXDQTYCSOHVJAX-DOMZBBRYSA-N 1 0 315.377 2.224 10 5 DEBERO O=[N+]([O-])c1cnc(OC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000093434570 193251342 /nfs/dbraw/zinc/25/13/42/193251342.db2.gz GCIDBEJBKVRJBS-MRVPVSSYSA-N 1 0 316.155 2.131 10 5 DEBERO CC[NH2+]CCOc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000097368784 193711428 /nfs/dbraw/zinc/71/14/28/193711428.db2.gz BRDRHDSDCUIPTN-UHFFFAOYSA-N 1 0 307.119 2.485 10 5 DEBERO COC[C@@H](C)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000034995532 182746345 /nfs/dbraw/zinc/74/63/45/182746345.db2.gz KADDJROOWDRJDY-MRVPVSSYSA-N 1 0 303.156 2.482 10 5 DEBERO [NH3+][C@@H]1CCCC[C@@H]1Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000040713464 183121568 /nfs/dbraw/zinc/12/15/68/183121568.db2.gz QAEBNUBRDRLWEB-BDAKNGLRSA-N 1 0 315.171 2.434 10 5 DEBERO CCC[NH2+][C@@H](c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000043301377 183352018 /nfs/dbraw/zinc/35/20/18/183352018.db2.gz UOURSKVOBXUMDO-SMDDNHRTSA-N 1 0 312.391 2.070 10 5 DEBERO CCC[NH2+][C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301190 183352075 /nfs/dbraw/zinc/35/20/75/183352075.db2.gz ZGMIVSYGIZRBNM-GXTWGEPZSA-N 1 0 312.391 2.070 10 5 DEBERO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Br)[C@H](C)[NH3+] ZINC000157028920 197156461 /nfs/dbraw/zinc/15/64/61/197156461.db2.gz KGVULDGLUGHOCJ-RQJHMYQMSA-N 1 0 316.155 2.279 10 5 DEBERO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000156799438 197140941 /nfs/dbraw/zinc/14/09/41/197140941.db2.gz RMTAIXMKMUPGCM-OCCSQVGLSA-N 1 0 305.378 2.456 10 5 DEBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000184754723 144949674 /nfs/dbraw/zinc/94/96/74/144949674.db2.gz WYWIKKCGMMUWLV-HOCLYGCPSA-N 1 0 319.405 2.326 10 5 DEBERO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000247533052 145140199 /nfs/dbraw/zinc/14/01/99/145140199.db2.gz XLBGSSZHNSFBRM-GXTWGEPZSA-N 1 0 305.378 2.458 10 5 DEBERO COc1ccc(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000261901207 145239080 /nfs/dbraw/zinc/23/90/80/145239080.db2.gz OWPNZNIZONPUIZ-AWEZNQCLSA-N 1 0 321.377 2.111 10 5 DEBERO C[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)C1C[NH2+]C1 ZINC000262279054 145273077 /nfs/dbraw/zinc/27/30/77/145273077.db2.gz WTRGTYOFEDKRHQ-SECBINFHSA-N 1 0 311.769 2.062 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000126851225 401710890 /nfs/dbraw/zinc/71/08/90/401710890.db2.gz JWZZYJAORQELQE-AWEZNQCLSA-N 1 0 317.389 2.461 10 5 DEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000052894715 402048566 /nfs/dbraw/zinc/04/85/66/402048566.db2.gz UWNKMGMNFAMECR-UHFFFAOYSA-N 1 0 320.393 2.293 10 5 DEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)[C@H](C)C1 ZINC000122620396 402087361 /nfs/dbraw/zinc/08/73/61/402087361.db2.gz MYCDFIISYQGHEB-ABAIWWIYSA-N 1 0 320.393 2.101 10 5 DEBERO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000122752931 402092773 /nfs/dbraw/zinc/09/27/73/402092773.db2.gz JGXRHOVLJPUNEZ-MNOVXSKESA-N 1 0 309.341 2.289 10 5 DEBERO CC(C)[C@@H]([NH3+])CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000070447967 402260723 /nfs/dbraw/zinc/26/07/23/402260723.db2.gz LRCJYOOPXPQGGK-QMMMGPOBSA-N 1 0 303.160 2.148 10 5 DEBERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000071189290 402270881 /nfs/dbraw/zinc/27/08/81/402270881.db2.gz SNFIXPDDFZKEFW-JTQLQIEISA-N 1 0 311.769 2.272 10 5 DEBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000184787897 402299621 /nfs/dbraw/zinc/29/96/21/402299621.db2.gz OTYXPKUGYKCZEN-HOCLYGCPSA-N 1 0 319.405 2.374 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000177018192 402359884 /nfs/dbraw/zinc/35/98/84/402359884.db2.gz LBASROCQWXPEES-GFCCVEGCSA-N 1 0 321.377 2.160 10 5 DEBERO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000168601847 402497394 /nfs/dbraw/zinc/49/73/94/402497394.db2.gz FMDOZONMKRCVEQ-LLVKDONJSA-N 1 0 309.753 2.168 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000247022113 402553379 /nfs/dbraw/zinc/55/33/79/402553379.db2.gz STEXFXVOZOUWNI-HIFRSBDPSA-N 1 0 303.362 2.294 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)C(=O)NCc1ccco1 ZINC000183645875 402784838 /nfs/dbraw/zinc/78/48/38/402784838.db2.gz SEJZOVSCEVQGBJ-LBPRGKRZSA-N 1 0 317.345 2.291 10 5 DEBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[NH+](C)C ZINC000273400077 403001216 /nfs/dbraw/zinc/00/12/16/403001216.db2.gz GQTAYFAVLDBCRE-OUKQBFOZSA-N 1 0 305.378 2.456 10 5 DEBERO Cn1cc([C@H](CNc2ncc([N+](=O)[O-])cc2Cl)[NH+](C)C)cn1 ZINC000301268257 403608434 /nfs/dbraw/zinc/60/84/34/403608434.db2.gz IRYBDIDWCLSUJN-LBPRGKRZSA-N 1 0 324.772 2.092 10 5 DEBERO C[C@H]1C[C@H](N(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000132052594 196222001 /nfs/dbraw/zinc/22/20/01/196222001.db2.gz DVCWRIPOLWQBOG-CMPLNLGQSA-N 1 0 309.341 2.289 10 5 DEBERO CC[NH2+][C@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)CC ZINC000132784592 196283295 /nfs/dbraw/zinc/28/32/95/196283295.db2.gz ZXROZDLLCPGLQX-BXUZGUMPSA-N 1 0 314.407 2.393 10 5 DEBERO C[C@H]1C[NH2+]C[C@@H](COCc2cc(Cl)ccc2[N+](=O)[O-])O1 ZINC000132815918 196286497 /nfs/dbraw/zinc/28/64/97/196286497.db2.gz RWDLTZYVFGQZHB-CABZTGNLSA-N 1 0 300.742 2.142 10 5 DEBERO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C1CCOCC1 ZINC000187960233 225003863 /nfs/dbraw/zinc/00/38/63/225003863.db2.gz GBSUNSUPRXWVEA-HNNXBMFYSA-N 1 0 324.377 2.135 10 5 DEBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000248574213 274664767 /nfs/dbraw/zinc/66/47/67/274664767.db2.gz GWOXEPFQMPOEDG-SLEUVZQESA-N 1 0 321.377 2.387 10 5 DEBERO Cc1cc(N(C)C2C[NH2+]C2)c(Br)cc1[N+](=O)[O-] ZINC000234268789 280538042 /nfs/dbraw/zinc/53/80/42/280538042.db2.gz GVAWNBKFPIQPTD-UHFFFAOYSA-N 1 0 300.156 2.074 10 5 DEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000174979682 281193182 /nfs/dbraw/zinc/19/31/82/281193182.db2.gz SLPHSJLSVVESTN-DZGCQCFKSA-N 1 0 303.362 2.294 10 5 DEBERO COC(=O)c1cc(N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000301956349 533849728 /nfs/dbraw/zinc/84/97/28/533849728.db2.gz MJALJACLGBHOED-BXUZGUMPSA-N 1 0 321.377 2.158 10 5 DEBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247243254 526085406 /nfs/dbraw/zinc/08/54/06/526085406.db2.gz SNJUYALUKWGNNM-MELADBBJSA-N 1 0 307.394 2.043 10 5 DEBERO C[C@@H]([NH3+])[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CCO1 ZINC000235186134 625336495 /nfs/dbraw/zinc/33/64/95/625336495.db2.gz ANYLCPUPTRJGIY-HQJQHLMTSA-N 1 0 320.176 2.454 10 5 DEBERO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C[C@@H](O)C1CC1 ZINC000162175371 625355027 /nfs/dbraw/zinc/35/50/27/625355027.db2.gz HOIPIQJMMUASGI-GFCCVEGCSA-N 1 0 315.167 2.218 10 5 DEBERO [NH3+][C@@H]1CC[C@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000311174208 646597118 /nfs/dbraw/zinc/59/71/18/646597118.db2.gz VFPNWFUSZKEQIW-IONNQARKSA-N 1 0 315.171 2.292 10 5 DEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000153226383 647391003 /nfs/dbraw/zinc/39/10/03/647391003.db2.gz PMRYJXJTMIGYLT-SWLSCSKDSA-N 1 0 315.377 2.071 10 5 DEBERO COc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000262315898 685200450 /nfs/dbraw/zinc/20/04/50/685200450.db2.gz QHKJXUVBHFNWLC-JBLDHEPKSA-N 1 0 309.341 2.306 10 5 DEBERO [NH3+][C@H]1CCC2(C[C@@H]1Sc1ccc([N+](=O)[O-])cc1)OCCO2 ZINC000081805116 192326831 /nfs/dbraw/zinc/32/68/31/192326831.db2.gz FUVDFGNSJRCJBW-STQMWFEESA-N 1 0 310.375 2.310 10 5 DEBERO CC1(C)CC[C@@H]([NH3+])[C@@H](S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000081943038 192343821 /nfs/dbraw/zinc/34/38/21/192343821.db2.gz ANVNRRXLPPHUBU-MFKMUULPSA-N 1 0 312.391 2.275 10 5 DEBERO CC[NH2+][C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942055 192344472 /nfs/dbraw/zinc/34/44/72/192344472.db2.gz FWUSAQAHCRDVJJ-KGLIPLIRSA-N 1 0 312.391 2.289 10 5 DEBERO C[NH2+][C@@H]1CCCCC[C@@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942306 192344603 /nfs/dbraw/zinc/34/46/03/192344603.db2.gz JRXSKSOPNWOGLL-KGLIPLIRSA-N 1 0 312.391 2.289 10 5 DEBERO [NH3+]CCc1nccn1-c1cc(Br)ccc1[N+](=O)[O-] ZINC000087835328 185232971 /nfs/dbraw/zinc/23/29/71/185232971.db2.gz DLNGKYAZUGNIQU-UHFFFAOYSA-N 1 0 311.139 2.044 10 5 DEBERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1Nc1ccc([N+](=O)[O-])cc1C(F)F ZINC000090313313 185290745 /nfs/dbraw/zinc/29/07/45/185290745.db2.gz LNVCFHGOVLTNNH-WCQGTBRESA-N 1 0 301.293 2.449 10 5 DEBERO C[C@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070197259 190870525 /nfs/dbraw/zinc/87/05/25/190870525.db2.gz XAXDXIMSBMQCOL-SNVBAGLBSA-N 1 0 311.769 2.462 10 5 DEBERO O=C(Nc1cc([N+](=O)[O-])ccc1Br)[C@H]1CCC[NH2+]1 ZINC000129904156 185920520 /nfs/dbraw/zinc/92/05/20/185920520.db2.gz DSLHPBWUWXENHL-SECBINFHSA-N 1 0 314.139 2.048 10 5 DEBERO COC(=O)c1cc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000092672445 355646045 /nfs/dbraw/zinc/64/60/45/355646045.db2.gz OVCMXKRVNXVVOF-ZYHUDNBSSA-N 1 0 319.361 2.419 10 5 DEBERO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)c1ccccc1 ZINC000585754498 357352646 /nfs/dbraw/zinc/35/26/46/357352646.db2.gz PRNCKPVAYLFNSC-OAHLLOKOSA-N 1 0 318.377 2.019 10 5 DEBERO C[C@H]1C[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000194001472 201160426 /nfs/dbraw/zinc/16/04/26/201160426.db2.gz HOKPTKQYZBUSTC-WCQYABFASA-N 1 0 322.365 2.418 10 5 DEBERO Cn1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])nn1 ZINC000611973545 361716490 /nfs/dbraw/zinc/71/64/90/361716490.db2.gz MXDQTYCSOHVJAX-SWLSCSKDSA-N 1 0 315.377 2.224 10 5 DEBERO [NH3+]C1(COc2ncc([N+](=O)[O-])cc2Br)CCCC1 ZINC000093434579 193251166 /nfs/dbraw/zinc/25/11/66/193251166.db2.gz YOYUIIKOIJSIQA-UHFFFAOYSA-N 1 0 316.155 2.403 10 5 DEBERO CC(C)[NH2+]Cc1ncnn1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093634079 193277767 /nfs/dbraw/zinc/27/77/67/193277767.db2.gz OJOHSEDBMJZGTR-UHFFFAOYSA-N 1 0 309.757 2.386 10 5 DEBERO [NH3+][C@H]1CCCC[C@@H]1Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000040713462 183121993 /nfs/dbraw/zinc/12/19/93/183121993.db2.gz QAEBNUBRDRLWEB-IUCAKERBSA-N 1 0 315.171 2.434 10 5 DEBERO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000109819185 194289479 /nfs/dbraw/zinc/28/94/79/194289479.db2.gz KKNMWOYMLLOYAY-MRXNPFEDSA-N 1 0 319.405 2.282 10 5 DEBERO C[C@@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[S@@](C)=O ZINC000168135191 144804709 /nfs/dbraw/zinc/80/47/09/144804709.db2.gz GVQQMJGWJKALBZ-UGZDLDLSSA-N 1 0 304.799 2.495 10 5 DEBERO C[NH2+]CCC1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000262343257 145278210 /nfs/dbraw/zinc/27/82/10/145278210.db2.gz UMQXYPIYMDKNAR-UHFFFAOYSA-N 1 0 303.366 2.297 10 5 DEBERO C[C@H]1C[C@@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[NH2+]1 ZINC000262402858 145281783 /nfs/dbraw/zinc/28/17/83/145281783.db2.gz RHJCXNBWLSXYOF-JSGCOSHPSA-N 1 0 317.389 2.474 10 5 DEBERO CC(C)[C@@H]([NH2+]C[C@@H](C)O)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000035744585 401900950 /nfs/dbraw/zinc/90/09/50/401900950.db2.gz IIUZPQBNCHEYPJ-ZWNOBZJWSA-N 1 0 320.349 2.312 10 5 DEBERO O=[N+]([O-])c1ccc2sc([S@@](=O)C3CC[NH2+]CC3)nc2c1 ZINC000095092226 402025708 /nfs/dbraw/zinc/02/57/08/402025708.db2.gz NQVKDTUQZQITGP-HXUWFJFHSA-N 1 0 311.388 2.064 10 5 DEBERO Cc1c([C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000151294020 402027962 /nfs/dbraw/zinc/02/79/62/402027962.db2.gz ZBYWUUPYJKXVIN-CABCVRRESA-N 1 0 321.421 2.401 10 5 DEBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000154467274 402213899 /nfs/dbraw/zinc/21/38/99/402213899.db2.gz WUGFJOURBMQXTQ-DJIMGWMZSA-N 1 0 320.389 2.255 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000154658072 402224000 /nfs/dbraw/zinc/22/40/00/402224000.db2.gz AZJJCVCQSHIXHD-INIZCTEOSA-N 1 0 319.405 2.470 10 5 DEBERO O=[N+]([O-])c1ccn(CC[N@H+](C[C@H]2CCCO2)C2CCCC2)n1 ZINC000176266922 402295692 /nfs/dbraw/zinc/29/56/92/402295692.db2.gz QQJXUAFHZFISNU-CQSZACIVSA-N 1 0 308.382 2.215 10 5 DEBERO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000246039970 402504955 /nfs/dbraw/zinc/50/49/55/402504955.db2.gz BCSIOZOCSLFRPU-CYBMUJFWSA-N 1 0 323.393 2.150 10 5 DEBERO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000170687739 402514264 /nfs/dbraw/zinc/51/42/64/402514264.db2.gz PQFQHXJOKDCCTE-GFCCVEGCSA-N 1 0 307.350 2.034 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000246982142 402552243 /nfs/dbraw/zinc/55/22/43/402552243.db2.gz DYASIGDFMLRXCV-MVQLRYDASA-N 1 0 315.373 2.303 10 5 DEBERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@H]12 ZINC000248641136 402600694 /nfs/dbraw/zinc/60/06/94/402600694.db2.gz RIDHBBDGBDGBIJ-KPXOXKRLSA-N 1 0 309.753 2.058 10 5 DEBERO CCC[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000175424861 402805825 /nfs/dbraw/zinc/80/58/25/402805825.db2.gz WGJQNNURFWQLCN-HZPDHXFCSA-N 1 0 307.394 2.356 10 5 DEBERO Cc1sc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000299131455 403530151 /nfs/dbraw/zinc/53/01/51/403530151.db2.gz ZFNSJZRWGUHBJL-MNOVXSKESA-N 1 0 309.391 2.321 10 5 DEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000344855551 404406198 /nfs/dbraw/zinc/40/61/98/404406198.db2.gz FJLZYDBCRSRERM-CEFACKQISA-N 1 0 303.362 2.209 10 5 DEBERO COc1ccc(C[C@@](C)([NH3+])CNc2ccc([N+](=O)[O-])nc2)cc1 ZINC000450401274 405877758 /nfs/dbraw/zinc/87/77/58/405877758.db2.gz HYBKVCKAFRHCKY-MRXNPFEDSA-N 1 0 316.361 2.370 10 5 DEBERO C[C@H]1C[NH2+]C[C@H](COCc2cc(Cl)ccc2[N+](=O)[O-])O1 ZINC000132815491 196286137 /nfs/dbraw/zinc/28/61/37/196286137.db2.gz RWDLTZYVFGQZHB-JOYOIKCWSA-N 1 0 300.742 2.142 10 5 DEBERO [NH3+][C@@H]1CCCC[C@@H]1Oc1ncc(Br)cc1[N+](=O)[O-] ZINC000136472033 196538289 /nfs/dbraw/zinc/53/82/89/196538289.db2.gz ROKJRAAIPKXEPL-SCZZXKLOSA-N 1 0 316.155 2.401 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000193402590 225161164 /nfs/dbraw/zinc/16/11/64/225161164.db2.gz HKLLBZKETXXNGL-GASCZTMLSA-N 1 0 321.421 2.444 10 5 DEBERO CC1=CC(C)=NN(c2cc(N3CC[NH2+]CC3)ccc2[N+](=O)[O-])C1 ZINC000006515598 276178110 /nfs/dbraw/zinc/17/81/10/276178110.db2.gz ZTKIJEPFWGQRLF-UHFFFAOYSA-N 1 0 315.377 2.147 10 5 DEBERO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000185438370 279305540 /nfs/dbraw/zinc/30/55/40/279305540.db2.gz SBTLOCYGWMABRA-GFCCVEGCSA-N 1 0 320.393 2.171 10 5 DEBERO CC[N@@H+]1CC[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000389402512 336284880 /nfs/dbraw/zinc/28/48/80/336284880.db2.gz PZSHPHHWBHCTOR-SECBINFHSA-N 1 0 315.171 2.258 10 5 DEBERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000360514167 535361364 /nfs/dbraw/zinc/36/13/64/535361364.db2.gz GGOBXVWYYGOUJR-OAHLLOKOSA-N 1 0 305.378 2.394 10 5 DEBERO CC[NH+](CC)CC1CCN(Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000738070970 637387169 /nfs/dbraw/zinc/38/71/69/637387169.db2.gz NHQVKCHTRMQSPC-UHFFFAOYSA-N 1 0 323.441 2.419 10 5 DEBERO C/C(=C\C(=O)N(C)CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000752755842 639216484 /nfs/dbraw/zinc/21/64/84/639216484.db2.gz QNZJKZZYDAWCGI-OUKQBFOZSA-N 1 0 305.378 2.408 10 5 DEBERO [NH3+][C@@H]1CCC2(C[C@@H]1Sc1ccccc1[N+](=O)[O-])OCCO2 ZINC000081777034 192323060 /nfs/dbraw/zinc/32/30/60/192323060.db2.gz ZWUKAFFAICCHNM-MFKMUULPSA-N 1 0 310.375 2.310 10 5 DEBERO CC1(C)CC[C@H]([NH3+])[C@@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000081942405 192344284 /nfs/dbraw/zinc/34/42/84/192344284.db2.gz UTFQBFXJPYTZTR-STQMWFEESA-N 1 0 312.391 2.275 10 5 DEBERO C[NH2+][C@@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000081942585 192344292 /nfs/dbraw/zinc/34/42/92/192344292.db2.gz GITOBMNDWKEFMA-LBPRGKRZSA-N 1 0 300.380 2.003 10 5 DEBERO [NH3+][C@H]1CCCCCC[C@@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942185 192344520 /nfs/dbraw/zinc/34/45/20/192344520.db2.gz RVQHGFWXEDKGSD-KBPBESRZSA-N 1 0 312.391 2.419 10 5 DEBERO CCC[NH2+][C@H]1CCC[C@H]1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942694 192344706 /nfs/dbraw/zinc/34/47/06/192344706.db2.gz HKBSDPLYZRHCEE-WCQYABFASA-N 1 0 312.391 2.289 10 5 DEBERO C[N@@H+]1CC[C@@H](Nc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000087834291 185232935 /nfs/dbraw/zinc/23/29/35/185232935.db2.gz AOEWMHXFCKAIOJ-SECBINFHSA-N 1 0 300.156 2.473 10 5 DEBERO O=[N+]([O-])c1ccc(Br)cc1OC1CC[NH2+]CC1 ZINC000087835288 185233071 /nfs/dbraw/zinc/23/30/71/185233071.db2.gz DTPLPZQJJJMOJJ-UHFFFAOYSA-N 1 0 301.140 2.488 10 5 DEBERO CCC[NH2+]Cc1ncnn1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000088628891 185260488 /nfs/dbraw/zinc/26/04/88/185260488.db2.gz QXMZHBRGNMYWCN-UHFFFAOYSA-N 1 0 309.757 2.388 10 5 DEBERO CC[C@H](NC(=O)N(C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000090689673 185309907 /nfs/dbraw/zinc/30/99/07/185309907.db2.gz NFSMDEQRMWSYCZ-AWEZNQCLSA-N 1 0 308.382 2.249 10 5 DEBERO C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000123733277 185837647 /nfs/dbraw/zinc/83/76/47/185837647.db2.gz ZRZVQOKRCKWLRO-NOZJJQNGSA-N 1 0 311.769 2.270 10 5 DEBERO C[C@H](CC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000130124143 185939126 /nfs/dbraw/zinc/93/91/26/185939126.db2.gz KEYDLACHCRWYJV-SSDOTTSWSA-N 1 0 316.155 2.281 10 5 DEBERO O=[N+]([O-])c1cccc(Br)c1OC[C@@H]1CCC[NH2+]1 ZINC000133527105 185992637 /nfs/dbraw/zinc/99/26/37/185992637.db2.gz JLWZVXQZHDCTOO-QMMMGPOBSA-N 1 0 301.140 2.488 10 5 DEBERO C[C@@H](C[C@@H]1COCC[NH2+]1)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000133691017 186007936 /nfs/dbraw/zinc/00/79/36/186007936.db2.gz PMHORLZWMSHRIS-DTWKUNHWSA-N 1 0 301.293 2.052 10 5 DEBERO [NH3+][C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000382450575 356675622 /nfs/dbraw/zinc/67/56/22/356675622.db2.gz DZTSOWHTYYRVHJ-HTQZYQBOSA-N 1 0 315.171 2.434 10 5 DEBERO CC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000180605939 199183382 /nfs/dbraw/zinc/18/33/82/199183382.db2.gz SKMANNPHYXWMMF-TZMCWYRMSA-N 1 0 301.350 2.242 10 5 DEBERO C[NH2+]C[C@@H](C)Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000596032492 358596733 /nfs/dbraw/zinc/59/67/33/358596733.db2.gz MGFNQTLGOQFXBH-ZCFIWIBFSA-N 1 0 303.160 2.081 10 5 DEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC(=O)N(C)CC1 ZINC000597213358 358856107 /nfs/dbraw/zinc/85/61/07/358856107.db2.gz ARQPHFFUSMGTRR-RAXLEYEMSA-N 1 0 303.362 2.162 10 5 DEBERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000600963676 359873782 /nfs/dbraw/zinc/87/37/82/359873782.db2.gz YIKQHOWGCMSESZ-VXNVDRBHSA-N 1 0 300.156 2.283 10 5 DEBERO C[NH+](C)C[C@@H]1CCCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287975412 219848874 /nfs/dbraw/zinc/84/88/74/219848874.db2.gz UPKWYMISXCDRGF-VIFPVBQESA-N 1 0 307.379 2.130 10 5 DEBERO Cn1cc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])nn1 ZINC000611973547 361716148 /nfs/dbraw/zinc/71/61/48/361716148.db2.gz MXDQTYCSOHVJAX-WFASDCNBSA-N 1 0 315.377 2.224 10 5 DEBERO C[NH2+]CC1CC(Oc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000091472812 193061036 /nfs/dbraw/zinc/06/10/36/193061036.db2.gz IKLIBSNNHSKYTO-UHFFFAOYSA-N 1 0 316.155 2.129 10 5 DEBERO CCC[NH2+]CC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094188619 193348061 /nfs/dbraw/zinc/34/80/61/193348061.db2.gz OQXNYVQYQCRWKL-UHFFFAOYSA-N 1 0 316.155 2.295 10 5 DEBERO C[NH2+]C(C)(C)CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000271742282 209174899 /nfs/dbraw/zinc/17/48/99/209174899.db2.gz RGPQPBIVHXSFKM-UHFFFAOYSA-N 1 0 303.160 2.162 10 5 DEBERO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000471756614 248710117 /nfs/dbraw/zinc/71/01/17/248710117.db2.gz FOSZTMLVVSTEEZ-NJZAAPMLSA-N 1 0 321.377 2.469 10 5 DEBERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000105872906 194152770 /nfs/dbraw/zinc/15/27/70/194152770.db2.gz BCKLFTPGEBXXCM-AAEUAGOBSA-N 1 0 315.377 2.414 10 5 DEBERO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000105882999 194155082 /nfs/dbraw/zinc/15/50/82/194155082.db2.gz QQHBNZXQZFZKNK-CQSZACIVSA-N 1 0 301.350 2.099 10 5 DEBERO CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)CC[N@@H+]1CCOC ZINC000106113829 194187511 /nfs/dbraw/zinc/18/75/11/194187511.db2.gz JPBLHUCLEFTUIR-MRXNPFEDSA-N 1 0 321.421 2.446 10 5 DEBERO CC[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000106113776 194187577 /nfs/dbraw/zinc/18/75/77/194187577.db2.gz FUJXBBAYULWUPO-ZDUSSCGKSA-N 1 0 313.423 2.199 10 5 DEBERO C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010043 194381945 /nfs/dbraw/zinc/38/19/45/194381945.db2.gz KQVDIFVHTHQXHF-LNLATYFQSA-N 1 0 309.753 2.071 10 5 DEBERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000061644465 184180516 /nfs/dbraw/zinc/18/05/16/184180516.db2.gz HWBYYTVZUXEPEI-NSHDSACASA-N 1 0 311.769 2.414 10 5 DEBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3ncnn3C1)CCC2 ZINC000192983397 285144529 /nfs/dbraw/zinc/14/45/29/285144529.db2.gz JBLKRPSCPMPRHD-DOMZBBRYSA-N 1 0 313.361 2.168 10 5 DEBERO O=[N+]([O-])c1cncc(Br)c1NCC[C@H]1CCC[NH2+]1 ZINC000232478953 285187190 /nfs/dbraw/zinc/18/71/90/285187190.db2.gz WPWBSFJIQNETBE-MRVPVSSYSA-N 1 0 315.171 2.306 10 5 DEBERO C[C@@H]([NH3+])[C@@H]1CN(c2cc(Cl)c(Cl)cc2[N+](=O)[O-])CCO1 ZINC000156556651 197122528 /nfs/dbraw/zinc/12/25/28/197122528.db2.gz YNDWAUOOPZDGBQ-KRTXAFLBSA-N 1 0 320.176 2.454 10 5 DEBERO Cc1c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000155551870 197065761 /nfs/dbraw/zinc/06/57/61/197065761.db2.gz YDCTVRFJTNQLFM-SMDDNHRTSA-N 1 0 305.378 2.362 10 5 DEBERO COc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155358436 197047423 /nfs/dbraw/zinc/04/74/23/197047423.db2.gz IZGKVKXMWCHTRR-AAEUAGOBSA-N 1 0 321.377 2.062 10 5 DEBERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000155355341 197046823 /nfs/dbraw/zinc/04/68/23/197046823.db2.gz DWFRTILMJHUSNG-STQMWFEESA-N 1 0 305.378 2.078 10 5 DEBERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000155302056 197041743 /nfs/dbraw/zinc/04/17/43/197041743.db2.gz FYDJQXQMNBPYTC-ZDUSSCGKSA-N 1 0 317.345 2.091 10 5 DEBERO C[C@@H](CNCc1cc(Br)ccc1[N+](=O)[O-])[NH+](C)C ZINC000122081960 195398296 /nfs/dbraw/zinc/39/82/96/195398296.db2.gz TXWCAVPRZUNEFB-VIFPVBQESA-N 1 0 316.199 2.397 10 5 DEBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000188848908 533405814 /nfs/dbraw/zinc/40/58/14/533405814.db2.gz KNIQRAALWBQLPS-OUKQBFOZSA-N 1 0 315.373 2.305 10 5 DEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000194918189 132542681 /nfs/dbraw/zinc/54/26/81/132542681.db2.gz AXHXQVMNHYMWLF-LBPRGKRZSA-N 1 0 308.382 2.004 10 5 DEBERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccc([N+](=O)[O-])cc1F ZINC000188687619 145015713 /nfs/dbraw/zinc/01/57/13/145015713.db2.gz WJBJFEAKAJPGKX-UHFFFAOYSA-N 1 0 315.304 2.267 10 5 DEBERO O=[N+]([O-])c1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000248994763 145175411 /nfs/dbraw/zinc/17/54/11/145175411.db2.gz OOTKAPAZXMMYKW-AWEZNQCLSA-N 1 0 320.349 2.173 10 5 DEBERO CC1(C)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000261731625 145221248 /nfs/dbraw/zinc/22/12/48/145221248.db2.gz RESHGYWTNXAJSV-LBPRGKRZSA-N 1 0 311.769 2.448 10 5 DEBERO Cc1cc(F)cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1[N+](=O)[O-] ZINC000261811202 145229326 /nfs/dbraw/zinc/22/93/26/145229326.db2.gz NJOPKGLQLWOROR-TXEJJXNPSA-N 1 0 321.352 2.114 10 5 DEBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1csc([N+](=O)[O-])c1 ZINC000261943372 145244824 /nfs/dbraw/zinc/24/48/24/145244824.db2.gz XTBXOUGQVILXCM-DGQGSHBHSA-N 1 0 309.391 2.292 10 5 DEBERO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc2c(c1)C[NH2+]C2 ZINC000262464482 145285689 /nfs/dbraw/zinc/28/56/89/145285689.db2.gz ITQGICCNNKJNPC-UHFFFAOYSA-N 1 0 301.350 2.335 10 5 DEBERO Cn1cc([C@@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000116320714 401850135 /nfs/dbraw/zinc/85/01/35/401850135.db2.gz JUSUKALPLAPTKF-CYBMUJFWSA-N 1 0 316.361 2.197 10 5 DEBERO C[NH+](C)[C@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000062984509 402111754 /nfs/dbraw/zinc/11/17/54/402111754.db2.gz IZGYOTBHBCWGIY-JTQLQIEISA-N 1 0 314.183 2.498 10 5 DEBERO COc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123179156 402114908 /nfs/dbraw/zinc/11/49/08/402114908.db2.gz MIFIDXNXIPDBAG-AAEUAGOBSA-N 1 0 321.377 2.158 10 5 DEBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](c3nccs3)C2)n1 ZINC000176222734 402292086 /nfs/dbraw/zinc/29/20/86/402292086.db2.gz KGIJFNUGOCSOFA-LLVKDONJSA-N 1 0 307.379 2.127 10 5 DEBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000161389045 402385794 /nfs/dbraw/zinc/38/57/94/402385794.db2.gz LNHVVLCEVHDZKY-MFKMUULPSA-N 1 0 309.341 2.192 10 5 DEBERO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163421418 402449090 /nfs/dbraw/zinc/44/90/90/402449090.db2.gz QTBRAEOZHCNQLO-CZUORRHYSA-N 1 0 307.394 2.356 10 5 DEBERO C[C@H]1CC[C@](CO)([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000187939927 402513762 /nfs/dbraw/zinc/51/37/62/402513762.db2.gz IAPMALIKWOIWSF-BBRMVZONSA-N 1 0 308.378 2.457 10 5 DEBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178475393 402502558 /nfs/dbraw/zinc/50/25/58/402502558.db2.gz JGCFJCAGSWLMJK-GJZGRUSLSA-N 1 0 319.405 2.310 10 5 DEBERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182128698 402668361 /nfs/dbraw/zinc/66/83/61/402668361.db2.gz OISWXYGWVLJYKW-GXSJLCMTSA-N 1 0 311.769 2.334 10 5 DEBERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000262568579 402727228 /nfs/dbraw/zinc/72/72/28/402727228.db2.gz XCRJIZLVSTXIJK-DVVUODLYSA-N 1 0 319.390 2.163 10 5 DEBERO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC([NH+]2CCCC2)CC1 ZINC000183640405 402784218 /nfs/dbraw/zinc/78/42/18/402784218.db2.gz JKHHDKGNUDVJRY-UHFFFAOYSA-N 1 0 319.365 2.082 10 5 DEBERO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000273515162 403011250 /nfs/dbraw/zinc/01/12/50/403011250.db2.gz XNXMOJMFNKFNBO-GFCCVEGCSA-N 1 0 322.340 2.436 10 5 DEBERO Nc1nc(N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000301215589 403601681 /nfs/dbraw/zinc/60/16/81/403601681.db2.gz ZPGNGOICUBXYDX-LLVKDONJSA-N 1 0 320.397 2.176 10 5 DEBERO C[NH+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000301340221 403617907 /nfs/dbraw/zinc/61/79/07/403617907.db2.gz FQCJKDDAEYGBMF-JTQLQIEISA-N 1 0 314.183 2.498 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000572754264 406733243 /nfs/dbraw/zinc/73/32/43/406733243.db2.gz SOLBWXQJAXJQJF-CHWSQXEVSA-N 1 0 307.398 2.183 10 5 DEBERO CC[C@@H](C)[C@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH2+]C ZINC000132785868 196282999 /nfs/dbraw/zinc/28/29/99/196282999.db2.gz QPHZBVOTCHYTCF-MFKMUULPSA-N 1 0 300.380 2.003 10 5 DEBERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccc([N+](=O)[O-])s1 ZINC000134529145 196399238 /nfs/dbraw/zinc/39/92/38/196399238.db2.gz KWJOIWMGBDNYIT-UHFFFAOYSA-N 1 0 303.343 2.190 10 5 DEBERO CC(C)[N@@H+]1CC[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000514758793 269330459 /nfs/dbraw/zinc/33/04/59/269330459.db2.gz PYDRDMUIIMOIEW-LLVKDONJSA-N 1 0 301.350 2.433 10 5 DEBERO CO[C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000167342706 277656542 /nfs/dbraw/zinc/65/65/42/277656542.db2.gz QMHSQKVBVYVILP-QWHCGFSZSA-N 1 0 313.785 2.186 10 5 DEBERO Cc1sc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246759444 526873118 /nfs/dbraw/zinc/87/31/18/526873118.db2.gz BTXCQNUFGIYRFC-MWLCHTKSSA-N 1 0 311.407 2.423 10 5 DEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000247073643 536165281 /nfs/dbraw/zinc/16/52/81/536165281.db2.gz YTOHVJMFWVALAD-GJZGRUSLSA-N 1 0 317.389 2.223 10 5 DEBERO C[C@@H]1[C@@H]([NH3+])CCN1c1cc(Br)ccc1[N+](=O)[O-] ZINC000261548561 635892635 /nfs/dbraw/zinc/89/26/35/635892635.db2.gz JQWLHJZRGQDZDV-APPZFPTMSA-N 1 0 300.156 2.283 10 5 DEBERO CN(Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000162366758 197562576 /nfs/dbraw/zinc/56/25/76/197562576.db2.gz HACIGTXPRQFWPL-NSHDSACASA-N 1 0 314.183 2.151 10 5 DEBERO C[NH2+][C@@H]1CCCCC[C@H]1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942978 192344360 /nfs/dbraw/zinc/34/43/60/192344360.db2.gz BTOPEYQEWSBXNL-DGCLKSJQSA-N 1 0 312.391 2.289 10 5 DEBERO [NH3+]CCCc1nnc(-c2cc(F)c(F)cc2[N+](=O)[O-])s1 ZINC000088809411 185266369 /nfs/dbraw/zinc/26/63/69/185266369.db2.gz SVXLQEHVPWVEKJ-UHFFFAOYSA-N 1 0 300.290 2.283 10 5 DEBERO CC[C@H]([NH2+][C@@H](C)C(=O)NCCCOC)c1cccc([N+](=O)[O-])c1 ZINC000090068415 185280746 /nfs/dbraw/zinc/28/07/46/185280746.db2.gz QOPAGCDKUNVXAZ-WFASDCNBSA-N 1 0 323.393 2.177 10 5 DEBERO CCN(c1cc(Br)ccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000090292259 185289710 /nfs/dbraw/zinc/28/97/10/185289710.db2.gz PMAXSXYEMVSBNO-UHFFFAOYSA-N 1 0 300.156 2.155 10 5 DEBERO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000090539233 185301518 /nfs/dbraw/zinc/30/15/18/185301518.db2.gz PBFWHXATSSLGKP-CQSZACIVSA-N 1 0 320.324 2.434 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171454696 186162218 /nfs/dbraw/zinc/16/22/18/186162218.db2.gz NIOWZLYMDOUOFM-CQSZACIVSA-N 1 0 303.362 2.214 10 5 DEBERO Cc1ccc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000193316075 356224634 /nfs/dbraw/zinc/22/46/34/356224634.db2.gz SGKKPQOYXVDWOJ-CYBMUJFWSA-N 1 0 320.345 2.368 10 5 DEBERO CC[N@@H+]1CCC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000313978520 356415069 /nfs/dbraw/zinc/41/50/69/356415069.db2.gz MEIHERBSMWFFCR-VIFPVBQESA-N 1 0 307.379 2.496 10 5 DEBERO C[C@H](C[C@H](C)[NH3+])Nc1ncc([N+](=O)[O-])cc1Br ZINC000320790946 356447180 /nfs/dbraw/zinc/44/71/80/356447180.db2.gz FYODPNNCJPUYEN-NKWVEPMBSA-N 1 0 303.160 2.290 10 5 DEBERO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000588820303 357425761 /nfs/dbraw/zinc/42/57/61/357425761.db2.gz VRLIPPHVWNQHQM-WCQYABFASA-N 1 0 307.398 2.183 10 5 DEBERO CC[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000180605958 199183513 /nfs/dbraw/zinc/18/35/13/199183513.db2.gz SKMANNPHYXWMMF-JSGCOSHPSA-N 1 0 301.350 2.242 10 5 DEBERO Cc1sc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000188697457 200289628 /nfs/dbraw/zinc/28/96/28/200289628.db2.gz ILJIIIHMFKEGJH-UHFFFAOYSA-N 1 0 317.370 2.498 10 5 DEBERO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000194831536 201297000 /nfs/dbraw/zinc/29/70/00/201297000.db2.gz GXURPRRZQIMSFD-QWHCGFSZSA-N 1 0 305.378 2.362 10 5 DEBERO Cc1cc(NC(=O)C[C@H]2CSCC[NH2+]2)c([N+](=O)[O-])cc1C ZINC000091290882 193030828 /nfs/dbraw/zinc/03/08/28/193030828.db2.gz IGEAINFBOFXFDC-NSHDSACASA-N 1 0 309.391 2.245 10 5 DEBERO Cc1cc(NC(=O)C[C@@H]2CSCC[NH2+]2)c([N+](=O)[O-])cc1C ZINC000091290879 193031657 /nfs/dbraw/zinc/03/16/57/193031657.db2.gz IGEAINFBOFXFDC-LLVKDONJSA-N 1 0 309.391 2.245 10 5 DEBERO C[NH2+]C[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000092133612 193166730 /nfs/dbraw/zinc/16/67/30/193166730.db2.gz LPDXEKWDFNSYRV-SSDOTTSWSA-N 1 0 316.155 2.151 10 5 DEBERO C[NH2+]C[C@H](C)C(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000092133661 193166819 /nfs/dbraw/zinc/16/68/19/193166819.db2.gz GWYMDZKLYPMJAN-ZETCQYMHSA-N 1 0 316.155 2.151 10 5 DEBERO CC(C)C[C@H](C[NH3+])C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000094697892 193391786 /nfs/dbraw/zinc/39/17/86/193391786.db2.gz JPWJKMNBZQQQJJ-MRVPVSSYSA-N 1 0 301.293 2.433 10 5 DEBERO C[C@@H]1C[C@H](N(C)c2nc3sccn3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000266275142 205231647 /nfs/dbraw/zinc/23/16/47/205231647.db2.gz RUOLRDNGFPXTKL-NXEZZACHSA-N 1 0 309.395 2.223 10 5 DEBERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000040690999 183118620 /nfs/dbraw/zinc/11/86/20/183118620.db2.gz WEWHJCRUMXZGRQ-LLVKDONJSA-N 1 0 311.769 2.462 10 5 DEBERO [NH3+]CCCCNC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000040808959 183136711 /nfs/dbraw/zinc/13/67/11/183136711.db2.gz ZJSZSWFTJQMLIT-UHFFFAOYSA-N 1 0 306.149 2.370 10 5 DEBERO C[C@H]1C[N@H+](C)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000159768623 197363037 /nfs/dbraw/zinc/36/30/37/197363037.db2.gz VULAKPJYWAGISA-CABZTGNLSA-N 1 0 311.769 2.318 10 5 DEBERO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000109819065 194290132 /nfs/dbraw/zinc/29/01/32/194290132.db2.gz UYIPNDJMNOHXGX-QGZVFWFLSA-N 1 0 319.405 2.282 10 5 DEBERO C[C@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010045 194381818 /nfs/dbraw/zinc/38/18/18/194381818.db2.gz KQVDIFVHTHQXHF-SBMIAAHKSA-N 1 0 309.753 2.071 10 5 DEBERO CCCN(c1nc2sccn2c1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000110948655 194372970 /nfs/dbraw/zinc/37/29/70/194372970.db2.gz MRURSVOCXCYPOP-JTQLQIEISA-N 1 0 309.395 2.272 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061603901 184177070 /nfs/dbraw/zinc/17/70/70/184177070.db2.gz ZZICJWUJTVSQNZ-UHFFFAOYSA-N 1 0 303.362 2.214 10 5 DEBERO C[NH2+]C[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000063167649 184275714 /nfs/dbraw/zinc/27/57/14/184275714.db2.gz VEDPHFLVWVOXDX-NSHDSACASA-N 1 0 311.769 2.462 10 5 DEBERO Cc1ccc([N+](=O)[O-])c(NC(=O)c2csc(CC[NH3+])n2)c1 ZINC000158657080 197291666 /nfs/dbraw/zinc/29/16/66/197291666.db2.gz RYOBRQYRIQMZEK-UHFFFAOYSA-N 1 0 306.347 2.113 10 5 DEBERO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CCC[NH+](C)C)c1 ZINC000557665278 291874611 /nfs/dbraw/zinc/87/46/11/291874611.db2.gz PVMPAAGIPXDMTN-UHFFFAOYSA-N 1 0 311.407 2.340 10 5 DEBERO C[NH+](C)CCNc1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000158083557 197243065 /nfs/dbraw/zinc/24/30/65/197243065.db2.gz NNAIYULGNLNSEB-UHFFFAOYSA-N 1 0 306.135 2.470 10 5 DEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(CCO)CCOC1 ZINC000344984512 533384981 /nfs/dbraw/zinc/38/49/81/533384981.db2.gz RFNMAYSUCNDTEO-DZXKJOIRSA-N 1 0 320.389 2.377 10 5 DEBERO CCOCC[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000247805163 145143972 /nfs/dbraw/zinc/14/39/72/145143972.db2.gz SKDGRCTUWPBMHG-CQSZACIVSA-N 1 0 321.421 2.446 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000248591354 145160422 /nfs/dbraw/zinc/16/04/22/145160422.db2.gz HESBYEIXDHSOEN-PBHICJAKSA-N 1 0 319.405 2.056 10 5 DEBERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C[C@H]12 ZINC000248650317 145163285 /nfs/dbraw/zinc/16/32/85/145163285.db2.gz URAOWAHDOASHLV-LJUAHTATSA-N 1 0 309.753 2.058 10 5 DEBERO Cc1c(Br)c(N[C@H](C)CC[NH3+])ncc1[N+](=O)[O-] ZINC000310304640 145351666 /nfs/dbraw/zinc/35/16/66/145351666.db2.gz CJIBGPUDRKGFPM-ZCFIWIBFSA-N 1 0 303.160 2.210 10 5 DEBERO COCC[C@H](COC)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000336835832 145399389 /nfs/dbraw/zinc/39/93/89/145399389.db2.gz VKCLXTNKEASJMD-LLVKDONJSA-N 1 0 302.758 2.389 10 5 DEBERO C[NH+]1CCC(CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000362934466 147603951 /nfs/dbraw/zinc/60/39/51/147603951.db2.gz KOAQTHLAXHJNNU-UHFFFAOYSA-N 1 0 317.389 2.211 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129925967 401811838 /nfs/dbraw/zinc/81/18/38/401811838.db2.gz YVVJUCUWFSWEOH-GFCCVEGCSA-N 1 0 316.361 2.290 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113230015 401771772 /nfs/dbraw/zinc/77/17/72/401771772.db2.gz RMRSXIQLGKHLEL-GXTWGEPZSA-N 1 0 303.362 2.212 10 5 DEBERO Cc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000113230850 401771935 /nfs/dbraw/zinc/77/19/35/401771935.db2.gz QZENDEWUIIYQLM-JSGCOSHPSA-N 1 0 303.362 2.212 10 5 DEBERO Cn1cc([C@H]2CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)cn1 ZINC000116317136 401849394 /nfs/dbraw/zinc/84/93/94/401849394.db2.gz JAYOYOTXUVOZHF-NSHDSACASA-N 1 0 304.325 2.457 10 5 DEBERO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@H]2C1 ZINC000037989908 401919576 /nfs/dbraw/zinc/91/95/76/401919576.db2.gz JJKVMFSEFREQQB-NSHDSACASA-N 1 0 309.753 2.168 10 5 DEBERO Cc1noc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000089517947 401950935 /nfs/dbraw/zinc/95/09/35/401950935.db2.gz FNQGJERSVPRHLE-AWEZNQCLSA-N 1 0 316.361 2.440 10 5 DEBERO COc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123178514 402114298 /nfs/dbraw/zinc/11/42/98/402114298.db2.gz MIFIDXNXIPDBAG-DGCLKSJQSA-N 1 0 321.377 2.158 10 5 DEBERO C[C@@H]1C[C@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000123878575 402151544 /nfs/dbraw/zinc/15/15/44/402151544.db2.gz UHIJASXSQHNIKP-ZIAGYGMSSA-N 1 0 307.394 2.388 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000177018204 402359872 /nfs/dbraw/zinc/35/98/72/402359872.db2.gz LBASROCQWXPEES-LBPRGKRZSA-N 1 0 321.377 2.160 10 5 DEBERO COc1cccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000248873023 402612302 /nfs/dbraw/zinc/61/23/02/402612302.db2.gz PMYOKGYQSMNLRA-WCQYABFASA-N 1 0 321.377 2.062 10 5 DEBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000261690271 402716125 /nfs/dbraw/zinc/71/61/25/402716125.db2.gz RQMUNNLNBNNADB-BTOWRCTQSA-N 1 0 321.352 2.370 10 5 DEBERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000191685338 402686543 /nfs/dbraw/zinc/68/65/43/402686543.db2.gz ZKLOJCFCHCFGBD-NSHDSACASA-N 1 0 323.393 2.372 10 5 DEBERO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(C[NH+]2CCCC2)CC1 ZINC000192504066 402733648 /nfs/dbraw/zinc/73/36/48/402733648.db2.gz RQAFKFDGDKJNKK-UHFFFAOYSA-N 1 0 321.425 2.432 10 5 DEBERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000183112787 402739922 /nfs/dbraw/zinc/73/99/22/402739922.db2.gz ODGNWTLJMAHGPM-UHIISALHSA-N 1 0 307.350 2.079 10 5 DEBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000183161842 402743895 /nfs/dbraw/zinc/74/38/95/402743895.db2.gz GWOXEPFQMPOEDG-HUBLWGQQSA-N 1 0 321.377 2.387 10 5 DEBERO CCO[C@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C12CCCC2 ZINC000174872877 402760709 /nfs/dbraw/zinc/76/07/09/402760709.db2.gz MYZKFGVEZKXSHM-GJZGRUSLSA-N 1 0 322.409 2.461 10 5 DEBERO CCc1cc(C[NH3+])cc(I)c1[N+](=O)[O-] ZINC000575724804 406824822 /nfs/dbraw/zinc/82/48/22/406824822.db2.gz CZENTEYPYKYJCR-UHFFFAOYSA-N 1 0 306.103 2.221 10 5 DEBERO COc1cccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000193253436 424868650 /nfs/dbraw/zinc/86/86/50/424868650.db2.gz NKTWWDHGIFCAKN-LBPRGKRZSA-N 1 0 323.393 2.310 10 5 DEBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000302120219 274004503 /nfs/dbraw/zinc/00/45/03/274004503.db2.gz XRDMNTKGWHGHAQ-ZDUSSCGKSA-N 1 0 319.361 2.056 10 5 DEBERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278177984 277156437 /nfs/dbraw/zinc/15/64/37/277156437.db2.gz BKJCXRQWIIZLRP-XHDPSFHLSA-N 1 0 315.377 2.392 10 5 DEBERO CS[C@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1[NH+]1CCCC1 ZINC000445595537 278167963 /nfs/dbraw/zinc/16/79/63/278167963.db2.gz FUDLDAOUHKHHNJ-STQMWFEESA-N 1 0 308.407 2.006 10 5 DEBERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000185438347 278255303 /nfs/dbraw/zinc/25/53/03/278255303.db2.gz SBTLOCYGWMABRA-LBPRGKRZSA-N 1 0 320.393 2.171 10 5 DEBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000179538187 280397870 /nfs/dbraw/zinc/39/78/70/280397870.db2.gz XRLVDZGADWNSJW-CYBMUJFWSA-N 1 0 305.378 2.296 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246720924 526074138 /nfs/dbraw/zinc/07/41/38/526074138.db2.gz ADEHKWZHVPOJJQ-DOMZBBRYSA-N 1 0 305.378 2.362 10 5 DEBERO CC1(C)CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1[NH3+] ZINC000261609986 535356981 /nfs/dbraw/zinc/35/69/81/535356981.db2.gz BVQKIYGWTOHONA-CYBMUJFWSA-N 1 0 304.350 2.295 10 5 DEBERO COC(=O)/C=C\c1ccc(NCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000255896598 625167459 /nfs/dbraw/zinc/16/74/59/625167459.db2.gz YMOHAUBZNDHMHS-ALCCZGGFSA-N 1 0 319.361 2.289 10 5 DEBERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000073185908 636315383 /nfs/dbraw/zinc/31/53/83/636315383.db2.gz LVCQOGXEJFJZJP-ZDUSSCGKSA-N 1 0 322.361 2.108 10 5 DEBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC1CC[NH+](C)CC1 ZINC000588444721 777198853 /nfs/dbraw/zinc/19/88/53/777198853.db2.gz NZFDIIRWAXJEMU-QBFSEMIESA-N 1 0 317.389 2.456 10 5 DEBERO C[N@@H+]1CC[C@H]1CNc1cc(Br)ccc1[N+](=O)[O-] ZINC000712527904 792199568 /nfs/dbraw/zinc/19/95/68/792199568.db2.gz IPYQWOSHIQOLIO-VIFPVBQESA-N 1 0 300.156 2.473 10 5 DEBERO CC[NH2+][C@H](CC)[C@H](C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942135 192343903 /nfs/dbraw/zinc/34/39/03/192343903.db2.gz CTVDKJYMBMDRQL-GXFFZTMASA-N 1 0 300.380 2.145 10 5 DEBERO CC[NH2+][C@@H](C)CCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942103 192344459 /nfs/dbraw/zinc/34/44/59/192344459.db2.gz BADBDVKKBOQMLF-NSHDSACASA-N 1 0 300.380 2.147 10 5 DEBERO CC[NH2+][C@@H](CC)[C@@H](C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942121 192344684 /nfs/dbraw/zinc/34/46/84/192344684.db2.gz CTVDKJYMBMDRQL-MFKMUULPSA-N 1 0 300.380 2.145 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000183322532 199574129 /nfs/dbraw/zinc/57/41/29/199574129.db2.gz JEWNWXLWYMRDJU-AWEZNQCLSA-N 1 0 306.362 2.488 10 5 DEBERO [NH3+]Cc1cc([N+](=O)[O-])ccc1OCc1cn2ccsc2n1 ZINC000148639356 186045408 /nfs/dbraw/zinc/04/54/08/186045408.db2.gz AZRJYIPJUWQCHA-UHFFFAOYSA-N 1 0 304.331 2.342 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000155723508 186107022 /nfs/dbraw/zinc/10/70/22/186107022.db2.gz TXVKWEBCGRILIR-CJNGLKHVSA-N 1 0 317.389 2.460 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171885444 198001430 /nfs/dbraw/zinc/00/14/30/198001430.db2.gz IXRFWYFNGAWXHI-CYBMUJFWSA-N 1 0 304.350 2.215 10 5 DEBERO Cc1sc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000043745100 354225997 /nfs/dbraw/zinc/22/59/97/354225997.db2.gz NIHQLGYYNFVXAZ-UHFFFAOYSA-N 1 0 309.391 2.321 10 5 DEBERO [NH3+][C@@H]1CCC[C@@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000262323864 283579895 /nfs/dbraw/zinc/57/98/95/283579895.db2.gz RLOVKJVZGZPJND-ADEWGFFLSA-N 1 0 301.350 2.035 10 5 DEBERO O=[N+]([O-])c1cnccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000610946707 361495945 /nfs/dbraw/zinc/49/59/45/361495945.db2.gz SFANOWBNUSZOGY-GXTWGEPZSA-N 1 0 302.378 2.443 10 5 DEBERO C[NH2+]CCCC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094188580 193348166 /nfs/dbraw/zinc/34/81/66/193348166.db2.gz KOYUMEZYDVZTBW-UHFFFAOYSA-N 1 0 316.155 2.295 10 5 DEBERO C[NH2+][C@@](C)(CCCCSc1ccccc1[N+](=O)[O-])C(N)=O ZINC000045550159 183514792 /nfs/dbraw/zinc/51/47/92/183514792.db2.gz DYZVYFROYGSTPV-AWEZNQCLSA-N 1 0 311.407 2.321 10 5 DEBERO C[C@H](C[NH3+])CC(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159462179 197355405 /nfs/dbraw/zinc/35/54/05/197355405.db2.gz AGTKUFSEOFGKLZ-ZETCQYMHSA-N 1 0 316.155 2.281 10 5 DEBERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000061644467 184180281 /nfs/dbraw/zinc/18/02/81/184180281.db2.gz SEVKDPCIYOAUEH-NSHDSACASA-N 1 0 311.769 2.414 10 5 DEBERO C[C@@H](C(=O)N(C)CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000543562808 285293887 /nfs/dbraw/zinc/29/38/87/285293887.db2.gz BMKZHYISKXAPDE-LLVKDONJSA-N 1 0 311.357 2.248 10 5 DEBERO [NH3+][C@H](CCNC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000124565761 195654578 /nfs/dbraw/zinc/65/45/78/195654578.db2.gz IIARMMJOAVNOFO-GFCCVEGCSA-N 1 0 305.359 2.476 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000247073625 145125858 /nfs/dbraw/zinc/12/58/58/145125858.db2.gz YTOHVJMFWVALAD-CABCVRRESA-N 1 0 317.389 2.223 10 5 DEBERO Cc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000247186404 145128656 /nfs/dbraw/zinc/12/86/56/145128656.db2.gz BGSDMZIBINRIME-QWHCGFSZSA-N 1 0 305.378 2.458 10 5 DEBERO CO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C[NH3+])C1 ZINC000262032195 145255295 /nfs/dbraw/zinc/25/52/95/145255295.db2.gz XGUBWURDRDECOR-NWDGAFQWSA-N 1 0 313.785 2.186 10 5 DEBERO O=[N+]([O-])c1cnccc1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336712090 145396200 /nfs/dbraw/zinc/39/62/00/145396200.db2.gz MAOZLQMHFXINKK-HNNXBMFYSA-N 1 0 312.373 2.346 10 5 DEBERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000359511888 147340254 /nfs/dbraw/zinc/34/02/54/147340254.db2.gz BXVAFYAZNDTTCS-OAHLLOKOSA-N 1 0 305.378 2.128 10 5 DEBERO C[C@@H](O)C1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000111287929 401708234 /nfs/dbraw/zinc/70/82/34/401708234.db2.gz KTOFJSVBZYMHNM-GFCCVEGCSA-N 1 0 321.377 2.016 10 5 DEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076489940 401796666 /nfs/dbraw/zinc/79/66/66/401796666.db2.gz JKNCIKISEPIEGJ-PWSUYJOCSA-N 1 0 311.407 2.459 10 5 DEBERO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037916637 401918481 /nfs/dbraw/zinc/91/84/81/401918481.db2.gz QBKNSBUGQUCICB-CMPLNLGQSA-N 1 0 309.391 2.261 10 5 DEBERO C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000149472600 401993062 /nfs/dbraw/zinc/99/30/62/401993062.db2.gz CRWKKVZZQLKYJD-JOYOIKCWSA-N 1 0 311.769 2.270 10 5 DEBERO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123932106 402154519 /nfs/dbraw/zinc/15/45/19/402154519.db2.gz HLDNVUGOHWISAI-TZMCWYRMSA-N 1 0 305.378 2.458 10 5 DEBERO CC[C@H]1CN(c2cccc(OC)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000185365740 402347162 /nfs/dbraw/zinc/34/71/62/402347162.db2.gz NGAIVEZZNIMUBF-ZDUSSCGKSA-N 1 0 323.393 2.150 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H]1CCCO1 ZINC000170687743 402514145 /nfs/dbraw/zinc/51/41/45/402514145.db2.gz PKOUNGLQCIQYBH-CQSZACIVSA-N 1 0 321.377 2.343 10 5 DEBERO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000178871118 402548995 /nfs/dbraw/zinc/54/89/95/402548995.db2.gz XKDCMPVDKZJLTF-COXVUDFISA-N 1 0 321.421 2.290 10 5 DEBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246400267 402529428 /nfs/dbraw/zinc/52/94/28/402529428.db2.gz JJZWGQPFMASPQX-CKEIUWERSA-N 1 0 319.405 2.308 10 5 DEBERO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183218855 402747945 /nfs/dbraw/zinc/74/79/45/402747945.db2.gz YVCDFIPOXDKETD-CQSZACIVSA-N 1 0 305.378 2.251 10 5 DEBERO CCOC(=O)c1cc(N2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000268192663 403060079 /nfs/dbraw/zinc/06/00/79/403060079.db2.gz WSEIQNZORNAGRE-UHFFFAOYSA-N 1 0 319.361 2.056 10 5 DEBERO Cc1sc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000299131462 403529868 /nfs/dbraw/zinc/52/98/68/403529868.db2.gz ZFNSJZRWGUHBJL-QWRGUYRKSA-N 1 0 309.391 2.321 10 5 DEBERO C[NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000347416748 403702171 /nfs/dbraw/zinc/70/21/71/403702171.db2.gz SYRYMBLYKOFRHO-UHFFFAOYSA-N 1 0 317.187 2.471 10 5 DEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000435059200 404954332 /nfs/dbraw/zinc/95/43/32/404954332.db2.gz VMLFHBBQQBIBKT-BNXPMYBGSA-N 1 0 315.373 2.210 10 5 DEBERO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000237333498 286729483 /nfs/dbraw/zinc/72/94/83/286729483.db2.gz UPNPIHPXKPEFSY-NSHDSACASA-N 1 0 323.418 2.436 10 5 DEBERO [NH3+]C[C@@H]1CCCN1c1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000132014368 196218705 /nfs/dbraw/zinc/21/87/05/196218705.db2.gz VVRMPWKOAAXMHC-ZETCQYMHSA-N 1 0 318.146 2.424 10 5 DEBERO CC[C@H](C)[C@@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH2+]C ZINC000132787305 196284139 /nfs/dbraw/zinc/28/41/39/196284139.db2.gz HDWKDDQIJMBGQG-WDEREUQCSA-N 1 0 300.380 2.003 10 5 DEBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000132824866 196286768 /nfs/dbraw/zinc/28/67/68/196286768.db2.gz UPLJZBFQLDXDHO-NSHDSACASA-N 1 0 309.341 2.338 10 5 DEBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000132824639 196286870 /nfs/dbraw/zinc/28/68/70/196286870.db2.gz UPLJZBFQLDXDHO-LLVKDONJSA-N 1 0 309.341 2.338 10 5 DEBERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182128638 274314021 /nfs/dbraw/zinc/31/40/21/274314021.db2.gz OISWXYGWVLJYKW-KOLCDFICSA-N 1 0 311.769 2.334 10 5 DEBERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000178223344 276694809 /nfs/dbraw/zinc/69/48/09/276694809.db2.gz KUGQRLPDHSHQMQ-AAEUAGOBSA-N 1 0 315.377 2.414 10 5 DEBERO CO[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C[NH3+])C1 ZINC000167353253 518123181 /nfs/dbraw/zinc/12/31/81/518123181.db2.gz UDELMTHLHIXEMK-STQMWFEESA-N 1 0 313.785 2.186 10 5 DEBERO [NH3+]C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CCO1 ZINC000236246343 625109899 /nfs/dbraw/zinc/10/98/99/625109899.db2.gz DTHPXUIJVTULEF-MRVPVSSYSA-N 1 0 306.149 2.066 10 5 DEBERO C/C(=C\C(=O)NCC[N@@H+](C)C(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000752366234 639175381 /nfs/dbraw/zinc/17/53/81/639175381.db2.gz RHPZTFFLNNRRSM-ACCUITESSA-N 1 0 305.378 2.455 10 5 DEBERO [NH3+]CCCN(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000714320840 1082170185 /nfs/dbraw/zinc/17/01/85/1082170185.db2.gz PIDOZOGZZVCDSF-UHFFFAOYSA-N 1 0 311.285 2.010 10 5 DEBERO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000095629311 185382914 /nfs/dbraw/zinc/38/29/14/185382914.db2.gz UQDGAGBWYHOHNY-ZDUSSCGKSA-N 1 0 321.377 2.346 10 5 DEBERO [NH3+]C1(Cc2ccc(Br)cc2[N+](=O)[O-])CCOCC1 ZINC000162492845 197570684 /nfs/dbraw/zinc/57/06/84/197570684.db2.gz RFXWPGFXEZYISU-UHFFFAOYSA-N 1 0 315.167 2.408 10 5 DEBERO [NH3+][C@@H]1CCCCCC[C@H]1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942897 192343831 /nfs/dbraw/zinc/34/38/31/192343831.db2.gz MGOMAGCEQZVSKO-DGCLKSJQSA-N 1 0 312.391 2.419 10 5 DEBERO CCC[NH2+][C@H](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942385 192343973 /nfs/dbraw/zinc/34/39/73/192343973.db2.gz GMFQNSZDTGZEOW-LLVKDONJSA-N 1 0 300.380 2.147 10 5 DEBERO C[NH2+][C@H]1CCCCC[C@@H]1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942975 192344150 /nfs/dbraw/zinc/34/41/50/192344150.db2.gz BTOPEYQEWSBXNL-AAEUAGOBSA-N 1 0 312.391 2.289 10 5 DEBERO CC[C@H]1CC[C@H]([NH3+])[C@H](S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000081942704 192344442 /nfs/dbraw/zinc/34/44/42/192344442.db2.gz KDAIUSVFSFZRMW-COPLHBTASA-N 1 0 312.391 2.275 10 5 DEBERO CC[C@H]1CC[C@@H]([NH3+])[C@H](S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000081942711 192344691 /nfs/dbraw/zinc/34/46/91/192344691.db2.gz KDAIUSVFSFZRMW-MISXGVKJSA-N 1 0 312.391 2.275 10 5 DEBERO C[C@H](CCO)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000096811555 185388614 /nfs/dbraw/zinc/38/86/14/185388614.db2.gz CMQJCNGAJOFZJO-MRVPVSSYSA-N 1 0 303.156 2.218 10 5 DEBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177271009 282202330 /nfs/dbraw/zinc/20/23/30/282202330.db2.gz JJZWGQPFMASPQX-KEYYUXOJSA-N 1 0 319.405 2.308 10 5 DEBERO Cc1nc2cc(N3C[C@H]4C[NH2+]C[C@H]4C3)c([N+](=O)[O-])cc2s1 ZINC000090322968 185291157 /nfs/dbraw/zinc/29/11/57/185291157.db2.gz YHLVYYOFZLKOHP-AOOOYVTPSA-N 1 0 304.375 2.169 10 5 DEBERO C[N@@H+](CCc1ccc(F)cc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090519191 185299869 /nfs/dbraw/zinc/29/98/69/185299869.db2.gz MEIWBHXJDSFHPX-UHFFFAOYSA-N 1 0 319.336 2.070 10 5 DEBERO CC(C)(C[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000168987712 197731338 /nfs/dbraw/zinc/73/13/38/197731338.db2.gz OKZLPSJSOLNLCL-UHFFFAOYSA-N 1 0 320.798 2.161 10 5 DEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000186789380 282283874 /nfs/dbraw/zinc/28/38/74/282283874.db2.gz ZQHPHMZJTAMYFY-UHFFFAOYSA-N 1 0 322.365 2.161 10 5 DEBERO O=C(Nc1ccccc1[N+](=O)[O-])[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244401 185563060 /nfs/dbraw/zinc/56/30/60/185563060.db2.gz SULOSQSCYXBCIF-LLVKDONJSA-N 1 0 303.240 2.075 10 5 DEBERO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CC[N@@H+]1CCOC ZINC000174737198 198377851 /nfs/dbraw/zinc/37/78/51/198377851.db2.gz SOXVXEJJOMYIOE-CYBMUJFWSA-N 1 0 323.393 2.150 10 5 DEBERO COc1ccc(OC)c([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000174811479 198388412 /nfs/dbraw/zinc/38/84/12/198388412.db2.gz PRJMVIIJTMTONM-NSHDSACASA-N 1 0 320.349 2.159 10 5 DEBERO Cc1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000074765737 355048199 /nfs/dbraw/zinc/04/81/99/355048199.db2.gz RTFKCNQUSBCDLV-BFHYXJOUSA-N 1 0 302.378 2.219 10 5 DEBERO [NH3+]C[C@H]1CC[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000382416988 356674661 /nfs/dbraw/zinc/67/46/61/356674661.db2.gz HWKQZJCONMYPAL-IONNQARKSA-N 1 0 315.171 2.292 10 5 DEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@]1(O)CCOC1 ZINC000593670213 358119764 /nfs/dbraw/zinc/11/97/64/358119764.db2.gz GIAFNHJQNPNZOU-LRFDDAOPSA-N 1 0 306.362 2.129 10 5 DEBERO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000189002013 200333584 /nfs/dbraw/zinc/33/35/84/200333584.db2.gz CFVGDFMYQWOSDV-MRVPVSSYSA-N 1 0 317.267 2.048 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193922844 201147303 /nfs/dbraw/zinc/14/73/03/201147303.db2.gz RCVDNQRBLJHRRF-CQSZACIVSA-N 1 0 322.365 2.419 10 5 DEBERO COC[C@](C)(CO)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000611479889 361606657 /nfs/dbraw/zinc/60/66/57/361606657.db2.gz PVKMNKOODAMUEN-INIZCTEOSA-N 1 0 320.345 2.342 10 5 DEBERO [NH3+][C@@H]1CCC[C@H](Oc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000093219888 193218506 /nfs/dbraw/zinc/21/85/06/193218506.db2.gz QGFUTQFLVICICP-BDAKNGLRSA-N 1 0 316.155 2.401 10 5 DEBERO [NH3+][C@H]1CCC[C@H](Oc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093434609 193251654 /nfs/dbraw/zinc/25/16/54/193251654.db2.gz AAQQOIWIBZGOEK-CBAPKCEASA-N 1 0 316.155 2.401 10 5 DEBERO C[NH2+][C@@H]1[C@@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1(C)C ZINC000094311251 193358885 /nfs/dbraw/zinc/35/88/85/193358885.db2.gz MHQCHFSZXTUJBI-QWHCGFSZSA-N 1 0 312.391 2.145 10 5 DEBERO CC(C)(C)[NH2+]CCCn1cc(Br)c([N+](=O)[O-])n1 ZINC000042410574 183265152 /nfs/dbraw/zinc/26/51/52/183265152.db2.gz QCNISTORQALQGT-UHFFFAOYSA-N 1 0 305.176 2.332 10 5 DEBERO O=[N+]([O-])c1nn(CC[C@@H]2CCCC[NH2+]2)cc1Br ZINC000043499184 183367283 /nfs/dbraw/zinc/36/72/83/183367283.db2.gz ZKIDCQXCNOCTFW-QMMMGPOBSA-N 1 0 303.160 2.086 10 5 DEBERO CC[C@](C)([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159432614 197352922 /nfs/dbraw/zinc/35/29/22/197352922.db2.gz NXFMEVJJOOOOPZ-NSHDSACASA-N 1 0 316.155 2.423 10 5 DEBERO COCC[NH2+]Cc1ccc(OCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000062730709 184251246 /nfs/dbraw/zinc/25/12/46/184251246.db2.gz YRHIYVGUROCBJL-UHFFFAOYSA-N 1 0 308.256 2.272 10 5 DEBERO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163421152 285039546 /nfs/dbraw/zinc/03/95/46/285039546.db2.gz QTBRAEOZHCNQLO-CJNGLKHVSA-N 1 0 307.394 2.356 10 5 DEBERO O=[N+]([O-])c1cc(F)c(Br)cc1O[C@@H]1CC[NH2+]C1 ZINC000158809269 197303001 /nfs/dbraw/zinc/30/30/01/197303001.db2.gz CHSDWRNRUXYSNC-ZCFIWIBFSA-N 1 0 305.103 2.237 10 5 DEBERO C[NH2+][C@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000158795244 197302307 /nfs/dbraw/zinc/30/23/07/197302307.db2.gz DEJAPVACQWGOBS-CQSZACIVSA-N 1 0 312.391 2.147 10 5 DEBERO [NH3+]CC1(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000122199905 195417461 /nfs/dbraw/zinc/41/74/61/195417461.db2.gz KLUCUSHKNHHHEX-UHFFFAOYSA-N 1 0 314.139 2.035 10 5 DEBERO Cc1ccc(N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000301711416 292131676 /nfs/dbraw/zinc/13/16/76/292131676.db2.gz IBVQJDPBINSXFK-HUUCEWRRSA-N 1 0 319.405 2.329 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247398474 145136061 /nfs/dbraw/zinc/13/60/61/145136061.db2.gz MLNDXDGDHXEUCY-QWHCGFSZSA-N 1 0 305.378 2.458 10 5 DEBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000127877440 401753937 /nfs/dbraw/zinc/75/39/37/401753937.db2.gz HHZDDUBHDYANJI-LBPRGKRZSA-N 1 0 306.366 2.379 10 5 DEBERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116277240 401847924 /nfs/dbraw/zinc/84/79/24/401847924.db2.gz AAKYOBVWZPQJDB-GXSJLCMTSA-N 1 0 311.769 2.334 10 5 DEBERO O=[N+]([O-])c1ccc2sc([S@](=O)[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000095092223 402025758 /nfs/dbraw/zinc/02/57/58/402025758.db2.gz JRQIAODZSCJFDK-YBYGRFCBSA-N 1 0 311.388 2.064 10 5 DEBERO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000123173525 402114205 /nfs/dbraw/zinc/11/42/05/402114205.db2.gz XLBGSSZHNSFBRM-TZMCWYRMSA-N 1 0 305.378 2.458 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103450969 402188976 /nfs/dbraw/zinc/18/89/76/402188976.db2.gz CRZGAUHLVMIXNX-UHFFFAOYSA-N 1 0 305.378 2.317 10 5 DEBERO CC[N@H+](CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000101957274 402159005 /nfs/dbraw/zinc/15/90/05/402159005.db2.gz HFUPQLZZRXSOKN-UHFFFAOYSA-N 1 0 316.361 2.290 10 5 DEBERO CC[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000069143129 402214967 /nfs/dbraw/zinc/21/49/67/402214967.db2.gz ZLJRILMURRQOOA-TZMCWYRMSA-N 1 0 312.391 2.213 10 5 DEBERO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000125591130 402240422 /nfs/dbraw/zinc/24/04/22/402240422.db2.gz GBZJVUMVTIXVLC-CZUORRHYSA-N 1 0 308.378 2.343 10 5 DEBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000184754745 402297986 /nfs/dbraw/zinc/29/79/86/402297986.db2.gz WYWIKKCGMMUWLV-ZBFHGGJFSA-N 1 0 319.405 2.326 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](CO)CC(C)C ZINC000185371299 402347619 /nfs/dbraw/zinc/34/76/19/402347619.db2.gz NAZBBTPXHKXPPE-CQSZACIVSA-N 1 0 323.393 2.181 10 5 DEBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000160514074 402348679 /nfs/dbraw/zinc/34/86/79/402348679.db2.gz HDYBZAZPAGKYTN-OAHLLOKOSA-N 1 0 319.405 2.374 10 5 DEBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178475412 402502471 /nfs/dbraw/zinc/50/24/71/402502471.db2.gz JGCFJCAGSWLMJK-LSDHHAIUSA-N 1 0 319.405 2.310 10 5 DEBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246400298 402529217 /nfs/dbraw/zinc/52/92/17/402529217.db2.gz JJZWGQPFMASPQX-CPUCHLNUSA-N 1 0 319.405 2.308 10 5 DEBERO C[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000170831855 402530851 /nfs/dbraw/zinc/53/08/51/402530851.db2.gz JEVKZEWEUDFTIA-FZMZJTMJSA-N 1 0 306.366 2.001 10 5 DEBERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000191186058 402649226 /nfs/dbraw/zinc/64/92/26/402649226.db2.gz VKWTVDAWCCDOAO-BMFZPTHFSA-N 1 0 318.373 2.411 10 5 DEBERO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000183128363 402741739 /nfs/dbraw/zinc/74/17/39/402741739.db2.gz TYAVHASAJSXSBH-FZMZJTMJSA-N 1 0 307.350 2.081 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000183320287 402756577 /nfs/dbraw/zinc/75/65/77/402756577.db2.gz JTJJNAJNVKWDBJ-UHFFFAOYSA-N 1 0 306.362 2.488 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000183397457 402763325 /nfs/dbraw/zinc/76/33/25/402763325.db2.gz JTAUBCNRUBQHGU-AWEZNQCLSA-N 1 0 315.377 2.407 10 5 DEBERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccncc1[N+](=O)[O-] ZINC000361015911 404879845 /nfs/dbraw/zinc/87/98/45/404879845.db2.gz WMPCPGWNCSVQLR-CZUORRHYSA-N 1 0 312.373 2.344 10 5 DEBERO C[C@@H]1C[C@H]([NH3+])CCN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000132035104 196220318 /nfs/dbraw/zinc/22/03/18/196220318.db2.gz NWGCCTMVBZGMHT-VXNVDRBHSA-N 1 0 315.171 2.068 10 5 DEBERO C[C@H]1C[NH2+]C[C@@H](COCc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000132711300 196277470 /nfs/dbraw/zinc/27/74/70/196277470.db2.gz ZAEWPTLXKRRLNO-CABZTGNLSA-N 1 0 300.742 2.142 10 5 DEBERO CCN1CCO[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000134434343 196391501 /nfs/dbraw/zinc/39/15/01/196391501.db2.gz OJZMOUSIMDUVAV-ZDUSSCGKSA-N 1 0 313.785 2.059 10 5 DEBERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249760828 521645770 /nfs/dbraw/zinc/64/57/70/521645770.db2.gz LBGSYEIDGIWMOP-OCCSQVGLSA-N 1 0 320.393 2.439 10 5 DEBERO Cc1c(CC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000245926242 525694083 /nfs/dbraw/zinc/69/40/83/525694083.db2.gz HTUNBQRWIVSJGS-IUODEOHRSA-N 1 0 319.405 2.291 10 5 DEBERO Cc1cc(N(C)C[C@H](C)[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000310275479 625646286 /nfs/dbraw/zinc/64/62/86/625646286.db2.gz JLLSYOUTNMGTBN-QMMMGPOBSA-N 1 0 302.172 2.449 10 5 DEBERO COCC[NH2+]CCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000215517077 636550172 /nfs/dbraw/zinc/55/01/72/636550172.db2.gz DUNRKNIIYFMGDR-UHFFFAOYSA-N 1 0 318.171 2.005 10 5 DEBERO C/C(=C/C(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752119784 639157593 /nfs/dbraw/zinc/15/75/93/639157593.db2.gz FLFYMHXBMSFCMG-ZVHGMHCTSA-N 1 0 317.389 2.456 10 5 DEBERO C[NH+](C)C1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000170639576 646653960 /nfs/dbraw/zinc/65/39/60/646653960.db2.gz BXSXKPXWNCECBW-UHFFFAOYSA-N 1 0 318.377 2.010 10 5 DEBERO C[NH2+]C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000071147902 649058779 /nfs/dbraw/zinc/05/87/79/649058779.db2.gz HPMYDWGKHUJJHH-VIFPVBQESA-N 1 0 314.183 2.403 10 5 DEBERO C[C@@H](CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[S@@](C)=O ZINC000129489465 684179954 /nfs/dbraw/zinc/17/99/54/684179954.db2.gz RQBRBQYLRXTSFB-UGZDLDLSSA-N 1 0 304.799 2.495 10 5 DEBERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1 ZINC000131216377 684198165 /nfs/dbraw/zinc/19/81/65/684198165.db2.gz LRWQIIFKGBIVMW-LBPRGKRZSA-N 1 0 309.341 2.256 10 5 DEBERO CC1(C)CC[C@H]([NH3+])[C@@H](S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000081943033 192344277 /nfs/dbraw/zinc/34/42/77/192344277.db2.gz ANVNRRXLPPHUBU-GWCFXTLKSA-N 1 0 312.391 2.275 10 5 DEBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170859986 197838448 /nfs/dbraw/zinc/83/84/48/197838448.db2.gz QETSHBXUXRZJQO-AAEUAGOBSA-N 1 0 323.418 2.238 10 5 DEBERO O=[N+]([O-])c1ccc(Br)cc1NC[C@H]1CC[NH2+]C1 ZINC000133833811 186012969 /nfs/dbraw/zinc/01/29/69/186012969.db2.gz XHYNCNHDAZWSIW-QMMMGPOBSA-N 1 0 300.156 2.379 10 5 DEBERO [NH3+]C1(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCC1 ZINC000148437923 186044665 /nfs/dbraw/zinc/04/46/65/186044665.db2.gz JEZHYHWQJRXTRR-UHFFFAOYSA-N 1 0 314.139 2.177 10 5 DEBERO CCOc1ccc([C@@H](C)[NH2+]CCCn2ccnn2)cc1[N+](=O)[O-] ZINC000184272083 356189197 /nfs/dbraw/zinc/18/91/97/356189197.db2.gz HJWIVRDBCOFUDO-GFCCVEGCSA-N 1 0 319.365 2.326 10 5 DEBERO O=C(CC1C[NH2+]C1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000081748971 192320755 /nfs/dbraw/zinc/32/07/55/192320755.db2.gz GDSVELURXWHHCX-UHFFFAOYSA-N 1 0 303.240 2.162 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000188748831 200299270 /nfs/dbraw/zinc/29/92/70/200299270.db2.gz NCBXTDRLKKEGDB-AWEZNQCLSA-N 1 0 321.421 2.180 10 5 DEBERO Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])nn1 ZINC000611973543 361716549 /nfs/dbraw/zinc/71/65/49/361716549.db2.gz MXDQTYCSOHVJAX-IUODEOHRSA-N 1 0 315.377 2.224 10 5 DEBERO CCC[C@H](C[NH3+])Nc1ncc([N+](=O)[O-])cc1Br ZINC000093434404 193250603 /nfs/dbraw/zinc/25/06/03/193250603.db2.gz JGXLHHVKNKHLKG-SSDOTTSWSA-N 1 0 303.160 2.292 10 5 DEBERO CCC[NH2+]CCOc1ncc([N+](=O)[O-])cc1Br ZINC000093434562 193251145 /nfs/dbraw/zinc/25/11/45/193251145.db2.gz GLMRGZRWFWYFHW-UHFFFAOYSA-N 1 0 304.144 2.131 10 5 DEBERO CC[C@@](C)([NH3+])C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094239208 193353593 /nfs/dbraw/zinc/35/35/93/193353593.db2.gz DWNQTOKDVUKECF-LLVKDONJSA-N 1 0 316.155 2.423 10 5 DEBERO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](C)COC ZINC000094774658 193396270 /nfs/dbraw/zinc/39/62/70/193396270.db2.gz MWHVSFMYZKXFET-LLVKDONJSA-N 1 0 300.330 2.217 10 5 DEBERO CC[N@@H+]1CC[C@H](N(C)c2nc3sccn3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000266202281 205179861 /nfs/dbraw/zinc/17/98/61/205179861.db2.gz DQHDGSVSSYOURK-QWRGUYRKSA-N 1 0 323.422 2.471 10 5 DEBERO CC(C)c1nc2ccc([N+](=O)[O-])cn2c1CN1CCC[NH2+]CC1 ZINC000040686383 183117664 /nfs/dbraw/zinc/11/76/64/183117664.db2.gz TYSAAVULFFESGN-UHFFFAOYSA-N 1 0 317.393 2.161 10 5 DEBERO CNc1ncnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000040595698 183106752 /nfs/dbraw/zinc/10/67/52/183106752.db2.gz VIIDVICOLLTGAV-UHFFFAOYSA-N 1 0 308.386 2.148 10 5 DEBERO CCC[NH2+][C@@H](c1csc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301498 183352296 /nfs/dbraw/zinc/35/22/96/183352296.db2.gz DTJSGBMNKMPBFY-BXKDBHETSA-N 1 0 318.420 2.132 10 5 DEBERO O=C(c1csc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188779 184277207 /nfs/dbraw/zinc/27/72/07/184277207.db2.gz KMUQDPPSQVIOGQ-NWDGAFQWSA-N 1 0 309.391 2.403 10 5 DEBERO [NH3+][C@@H]1CCCN(c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000158745600 197297976 /nfs/dbraw/zinc/29/79/76/197297976.db2.gz DXMLDBQZAFIPBL-SSDOTTSWSA-N 1 0 318.146 2.424 10 5 DEBERO Cc1ccc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc1[N+](=O)[O-] ZINC000186528873 144984260 /nfs/dbraw/zinc/98/42/60/144984260.db2.gz HMQSVPCVQINAHO-CYBMUJFWSA-N 1 0 303.362 2.260 10 5 DEBERO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188735827 145016609 /nfs/dbraw/zinc/01/66/09/145016609.db2.gz SHDFUBVJPYZPEB-UHFFFAOYSA-N 1 0 311.341 2.057 10 5 DEBERO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188747937 145017007 /nfs/dbraw/zinc/01/70/07/145017007.db2.gz LEFHCSSCJUDXTQ-UHFFFAOYSA-N 1 0 311.341 2.057 10 5 DEBERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C[C@H]12 ZINC000248650319 145163465 /nfs/dbraw/zinc/16/34/65/145163465.db2.gz URAOWAHDOASHLV-YDEJPDAXSA-N 1 0 309.753 2.058 10 5 DEBERO CC[NH+](CC)CC1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000358876493 147223462 /nfs/dbraw/zinc/22/34/62/147223462.db2.gz GUTZUNMAPFIRIG-UHFFFAOYSA-N 1 0 309.414 2.195 10 5 DEBERO C[NH+](C)Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])o2)ccc1F ZINC000115417696 401827089 /nfs/dbraw/zinc/82/70/89/401827089.db2.gz SYGGKILONXEPKB-UHFFFAOYSA-N 1 0 321.308 2.319 10 5 DEBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([N@H+](C)CCCO)CC1 ZINC000115548507 401830939 /nfs/dbraw/zinc/83/09/39/401830939.db2.gz GEXLBHWYWBCVGE-CQSZACIVSA-N 1 0 321.421 2.434 10 5 DEBERO CC(C)[C@@H]([NH2+]C[C@H](C)O)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000035744589 401900771 /nfs/dbraw/zinc/90/07/71/401900771.db2.gz IIUZPQBNCHEYPJ-GXFFZTMASA-N 1 0 320.349 2.312 10 5 DEBERO O=[N+]([O-])c1ccc2nc(OCC[C@H]3CCC[NH2+]C3)cnc2c1 ZINC000095092011 402025637 /nfs/dbraw/zinc/02/56/37/402025637.db2.gz GYXBGEDFKRDEFT-LLVKDONJSA-N 1 0 302.334 2.307 10 5 DEBERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000052594147 402044183 /nfs/dbraw/zinc/04/41/83/402044183.db2.gz ZRBZUPPYGBZQOD-AWEZNQCLSA-N 1 0 320.393 2.221 10 5 DEBERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000101641251 402152396 /nfs/dbraw/zinc/15/23/96/402152396.db2.gz YUZBJWQKXLZTCJ-LLVKDONJSA-N 1 0 309.366 2.064 10 5 DEBERO Cc1c([C@@H](C)[NH2+]C[C@]2(CCO)CCOC2)cccc1[N+](=O)[O-] ZINC000125624685 402242831 /nfs/dbraw/zinc/24/28/31/402242831.db2.gz CDCYQUKSJQWWTE-CJNGLKHVSA-N 1 0 308.378 2.343 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000177018410 402359604 /nfs/dbraw/zinc/35/96/04/402359604.db2.gz MCQFAKDDVFQKAV-AWEZNQCLSA-N 1 0 305.378 2.460 10 5 DEBERO Cc1c(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000177245488 402385369 /nfs/dbraw/zinc/38/53/69/402385369.db2.gz KGJLFOHKAJDABL-SUMWQHHRSA-N 1 0 319.405 2.056 10 5 DEBERO CCOCC[N@@H+]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000245714842 402482441 /nfs/dbraw/zinc/48/24/41/402482441.db2.gz GRAJUMWQNVMUCS-OAHLLOKOSA-N 1 0 321.421 2.446 10 5 DEBERO CCn1cc([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CCO2)cn1 ZINC000191717428 402688096 /nfs/dbraw/zinc/68/80/96/402688096.db2.gz MDYRKNRWYHUPPG-INIZCTEOSA-N 1 0 316.361 2.385 10 5 DEBERO CCc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000174196704 402731306 /nfs/dbraw/zinc/73/13/06/402731306.db2.gz XEDZWIPKIXDDDU-AWEZNQCLSA-N 1 0 305.378 2.371 10 5 DEBERO CCO[C@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C12CCCC2 ZINC000174872901 402760810 /nfs/dbraw/zinc/76/08/10/402760810.db2.gz MYZKFGVEZKXSHM-CABCVRRESA-N 1 0 322.409 2.461 10 5 DEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000195070982 402829481 /nfs/dbraw/zinc/82/94/81/402829481.db2.gz IYXMATGXIYXRHM-LBPRGKRZSA-N 1 0 320.393 2.148 10 5 DEBERO COc1cc(CN2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000184252471 402830758 /nfs/dbraw/zinc/83/07/58/402830758.db2.gz GLUGKJXHGCOOTI-UHFFFAOYSA-N 1 0 309.341 2.023 10 5 DEBERO Cc1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)ncc1[N+](=O)[O-] ZINC000301447482 403630321 /nfs/dbraw/zinc/63/03/21/403630321.db2.gz RTFKCNQUSBCDLV-IHRRRGAJSA-N 1 0 302.378 2.219 10 5 DEBERO C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](C)[N@H+]1C ZINC000294059479 403636449 /nfs/dbraw/zinc/63/64/49/403636449.db2.gz UWXPZIUKQAQGQY-PHIMTYICSA-N 1 0 316.361 2.241 10 5 DEBERO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000408208024 405137890 /nfs/dbraw/zinc/13/78/90/405137890.db2.gz KFPADPGDNHQJCL-YGRLFVJLSA-N 1 0 322.340 2.292 10 5 DEBERO C[C@@H](C[C@@H]1COCC[NH2+]1)Nc1c(F)cc(F)cc1[N+](=O)[O-] ZINC000134113089 196362636 /nfs/dbraw/zinc/36/26/36/196362636.db2.gz QMKDCSYSAYTMOM-WCBMZHEXSA-N 1 0 301.293 2.052 10 5 DEBERO C[C@@H]1C[N@H+](C)CC[C@@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000134354688 196381379 /nfs/dbraw/zinc/38/13/79/196381379.db2.gz DYFYUEXPJBEXMR-SKDRFNHKSA-N 1 0 311.769 2.318 10 5 DEBERO CCC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000195390029 268570688 /nfs/dbraw/zinc/57/06/88/268570688.db2.gz AJFCKQGYLABHKM-UHFFFAOYSA-N 1 0 320.393 2.150 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000245515216 281021985 /nfs/dbraw/zinc/02/19/85/281021985.db2.gz DGBNVYJTKYFAPJ-GOEBONIOSA-N 1 0 319.405 2.371 10 5 DEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000175033303 281191147 /nfs/dbraw/zinc/19/11/47/281191147.db2.gz CUKMBIUXNLRLMS-QWHCGFSZSA-N 1 0 321.352 2.433 10 5 DEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000175437629 281193337 /nfs/dbraw/zinc/19/33/37/281193337.db2.gz GIZYSCXWYHWHFV-QWHCGFSZSA-N 1 0 303.362 2.294 10 5 DEBERO CC[N@@H+]1CC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000389402515 336284802 /nfs/dbraw/zinc/28/48/02/336284802.db2.gz PZSHPHHWBHCTOR-VIFPVBQESA-N 1 0 315.171 2.258 10 5 DEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000247073660 536169167 /nfs/dbraw/zinc/16/91/67/536169167.db2.gz YUEKGWPLTHANMZ-AAEUAGOBSA-N 1 0 321.352 2.433 10 5 DEBERO C[C@H]([NH3+])[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CCO1 ZINC000235513646 625863929 /nfs/dbraw/zinc/86/39/29/625863929.db2.gz ANYLCPUPTRJGIY-WRWORJQWSA-N 1 0 320.176 2.454 10 5 DEBERO C/C(=C/C(=O)NC[C@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000752348227 639173601 /nfs/dbraw/zinc/17/36/01/639173601.db2.gz OWPSAQREYJBWPN-KUGGDMIFSA-N 1 0 303.362 2.209 10 5 DEBERO C[C@@H](CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[S@](C)=O ZINC000129489013 684179722 /nfs/dbraw/zinc/17/97/22/684179722.db2.gz RQBRBQYLRXTSFB-ZRNGKTOUSA-N 1 0 304.799 2.495 10 5 DEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000247216638 685144004 /nfs/dbraw/zinc/14/40/04/685144004.db2.gz XHNKOGYFLCSIFT-WFASDCNBSA-N 1 0 315.377 2.071 10 5 DEBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)C(C)C ZINC000588445859 777202554 /nfs/dbraw/zinc/20/25/54/777202554.db2.gz PJVPZMLYIYFFOZ-QBFSEMIESA-N 1 0 305.378 2.455 10 5 DEBERO [NH3+]Cc1nc2c(s1)CCN(Cc1csc([N+](=O)[O-])c1)C2 ZINC000710242701 1086687534 /nfs/dbraw/zinc/68/75/34/1086687534.db2.gz YAMBYBWZNBBONN-UHFFFAOYSA-N 1 0 310.404 2.130 10 5 DEBERO CC[NH2+][C@H](CC)[C@@H](C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942838 192343815 /nfs/dbraw/zinc/34/38/15/192343815.db2.gz AGHGPGOGCBSANY-GHMZBOCLSA-N 1 0 300.380 2.145 10 5 DEBERO C[NH2+][C@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000081941847 192344676 /nfs/dbraw/zinc/34/46/76/192344676.db2.gz QOAXBHWFYGWDEN-GFCCVEGCSA-N 1 0 300.380 2.003 10 5 DEBERO Cc1ccc([C@H](C)[NH2+]C2CCN(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000165973090 197685496 /nfs/dbraw/zinc/68/54/96/197685496.db2.gz NOHZDJPQVBLDEV-NSHDSACASA-N 1 0 306.366 2.097 10 5 DEBERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1c1ccc2scnc2c1[N+](=O)[O-] ZINC000090328679 185291383 /nfs/dbraw/zinc/29/13/83/185291383.db2.gz AZQLQCQFONIPSR-BBBLOLIVSA-N 1 0 304.375 2.249 10 5 DEBERO CCC[NH2+]C[C@H](C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000070527317 190904188 /nfs/dbraw/zinc/90/41/88/190904188.db2.gz WPDYAQYBMNZWHI-QMMMGPOBSA-N 1 0 305.176 2.190 10 5 DEBERO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000231474659 539734952 /nfs/dbraw/zinc/73/49/52/539734952.db2.gz KOPYEQUXTDDJLI-GFCCVEGCSA-N 1 0 311.769 2.462 10 5 DEBERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000152698664 186098680 /nfs/dbraw/zinc/09/86/80/186098680.db2.gz PQDSWSUJKMPEDK-LLVKDONJSA-N 1 0 311.769 2.462 10 5 DEBERO [NH3+][C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000382450781 356675680 /nfs/dbraw/zinc/67/56/80/356675680.db2.gz DZTSOWHTYYRVHJ-SFYZADRCSA-N 1 0 315.171 2.434 10 5 DEBERO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000183605304 295958940 /nfs/dbraw/zinc/95/89/40/295958940.db2.gz YCXIWSWBCXWFGU-GFCCVEGCSA-N 1 0 319.365 2.082 10 5 DEBERO CC(C)c1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000188120537 200196428 /nfs/dbraw/zinc/19/64/28/200196428.db2.gz UOGRODKWXOXKGM-ZDUSSCGKSA-N 1 0 305.378 2.494 10 5 DEBERO CC[C@@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000611616327 361645412 /nfs/dbraw/zinc/64/54/12/361645412.db2.gz HQFJDSWKRVFBGE-CQSZACIVSA-N 1 0 322.409 2.154 10 5 DEBERO O=C(C[C@@H]1CSCC[NH2+]1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000091135058 193002107 /nfs/dbraw/zinc/00/21/07/193002107.db2.gz AICATZANRULACX-MRVPVSSYSA-N 1 0 315.782 2.282 10 5 DEBERO O=C(NCC[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000106365992 283964517 /nfs/dbraw/zinc/96/45/17/283964517.db2.gz NRWHTDKLYLPCDA-SNVBAGLBSA-N 1 0 311.769 2.368 10 5 DEBERO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[NH2+]2)c(Br)c1 ZINC000093434275 193250471 /nfs/dbraw/zinc/25/04/71/193250471.db2.gz KQKFXXGHIHDMGF-QMMMGPOBSA-N 1 0 315.171 2.306 10 5 DEBERO Cc1ccc([C@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000093522905 193263271 /nfs/dbraw/zinc/26/32/71/193263271.db2.gz IDOODSIOODTZQK-NSHDSACASA-N 1 0 314.407 2.377 10 5 DEBERO NC(=O)[C@]1([NH3+])CCC[C@H]1CCSc1ccccc1[N+](=O)[O-] ZINC000093627083 193276539 /nfs/dbraw/zinc/27/65/39/193276539.db2.gz ZFMAXHWGWSBBDU-HZMBPMFUSA-N 1 0 309.391 2.060 10 5 DEBERO CC[C@@H](C[NH3+])C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094188607 193347662 /nfs/dbraw/zinc/34/76/62/193347662.db2.gz JMHZHFDVGLHDQQ-ZETCQYMHSA-N 1 0 316.155 2.281 10 5 DEBERO CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Br)COC1 ZINC000094722193 193394105 /nfs/dbraw/zinc/39/41/05/193394105.db2.gz NBKFSRLFOODYOR-UHFFFAOYSA-N 1 0 315.167 2.483 10 5 DEBERO C[C@@H]1C[C@@H](N(C)c2nc3sccn3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000266275145 205232096 /nfs/dbraw/zinc/23/20/96/205232096.db2.gz RUOLRDNGFPXTKL-ZJUUUORDSA-N 1 0 309.395 2.223 10 5 DEBERO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000020563305 182232445 /nfs/dbraw/zinc/23/24/45/182232445.db2.gz OQVUPDOXDGETFI-GFCCVEGCSA-N 1 0 309.753 2.072 10 5 DEBERO C[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010048 194382176 /nfs/dbraw/zinc/38/21/76/194382176.db2.gz KQVDIFVHTHQXHF-PTRXPTGYSA-N 1 0 309.753 2.071 10 5 DEBERO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605875 184177372 /nfs/dbraw/zinc/17/73/72/184177372.db2.gz ALZWRVJHKACSRZ-RUDMXATFSA-N 1 0 315.373 2.305 10 5 DEBERO [NH3+][C@@H]1CCC[C@@H]1Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000063176522 184276557 /nfs/dbraw/zinc/27/65/57/184276557.db2.gz NMKPAPZVFXHDIP-SFYZADRCSA-N 1 0 301.144 2.044 10 5 DEBERO O=C(NCC[NH+]1CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000119886286 195055553 /nfs/dbraw/zinc/05/55/53/195055553.db2.gz OKTVGHFYKSZADU-UHFFFAOYSA-N 1 0 316.361 2.292 10 5 DEBERO CN(CCC[NH+](C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000539417401 285076894 /nfs/dbraw/zinc/07/68/94/285076894.db2.gz KJGGXBHCJSNVKN-UHFFFAOYSA-N 1 0 305.334 2.365 10 5 DEBERO [NH3+][C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000158796245 197301628 /nfs/dbraw/zinc/30/16/28/197301628.db2.gz OWXHUGMANHFGRM-AWEZNQCLSA-N 1 0 312.391 2.276 10 5 DEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000155481187 197059078 /nfs/dbraw/zinc/05/90/78/197059078.db2.gz LZZYUIFBWKROIC-FZMZJTMJSA-N 1 0 321.377 2.062 10 5 DEBERO C[N+]1(C)CC[C@H](OC(=O)C(O)(C2CCCC2)C2CCCC2)C1 ZINC000071789508 184841875 /nfs/dbraw/zinc/84/18/75/184841875.db2.gz GLFQFKPAFVHRMF-INIZCTEOSA-N 1 0 310.458 2.490 10 5 DEBERO C[C@H](C(=O)N1CC[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000188610942 145014617 /nfs/dbraw/zinc/01/46/17/145014617.db2.gz MJPMPAUKMGIQQQ-NSHDSACASA-N 1 0 321.352 2.144 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246207213 145094745 /nfs/dbraw/zinc/09/47/45/145094745.db2.gz YHRIRDMPVMKPJX-DJIMGWMZSA-N 1 0 319.405 2.187 10 5 DEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000247213552 145129327 /nfs/dbraw/zinc/12/93/27/145129327.db2.gz CIRHNWKLAUBIBX-WDEREUQCSA-N 1 0 311.407 2.459 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247398488 145136251 /nfs/dbraw/zinc/13/62/51/145136251.db2.gz MLNDXDGDHXEUCY-STQMWFEESA-N 1 0 305.378 2.458 10 5 DEBERO O=[N+]([O-])c1ccc(CCN2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000261794945 145227185 /nfs/dbraw/zinc/22/71/85/145227185.db2.gz QLIYIOAEQXYNKX-QGZVFWFLSA-N 1 0 312.373 2.179 10 5 DEBERO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc([N+](=O)[O-])cc1)[N@@H+]2C ZINC000013738414 401804160 /nfs/dbraw/zinc/80/41/60/401804160.db2.gz JWBRJGZNZCKAEB-YJNKXOJESA-N 1 0 304.346 2.334 10 5 DEBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116314800 401849054 /nfs/dbraw/zinc/84/90/54/401849054.db2.gz XKDJSRVCUZBGBK-LBPRGKRZSA-N 1 0 316.361 2.326 10 5 DEBERO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+](C)C ZINC000089710330 401958545 /nfs/dbraw/zinc/95/85/45/401958545.db2.gz JENFAJGTRVNUHP-NOZJJQNGSA-N 1 0 311.769 2.270 10 5 DEBERO CC[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090918619 401988775 /nfs/dbraw/zinc/98/87/75/401988775.db2.gz HCJCMKHJYXEWGF-AWEZNQCLSA-N 1 0 306.366 2.179 10 5 DEBERO Cc1ccc([C@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000151283869 402027562 /nfs/dbraw/zinc/02/75/62/402027562.db2.gz LFMBLRFXLUPUJC-GOEBONIOSA-N 1 0 321.421 2.401 10 5 DEBERO C[NH+](C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000052554410 402043929 /nfs/dbraw/zinc/04/39/29/402043929.db2.gz RUAJOYSWMNGJQI-GFCCVEGCSA-N 1 0 303.318 2.221 10 5 DEBERO O=[N+]([O-])c1ccccc1CN(C[C@H](O)C(F)(F)F)C1CC1 ZINC000121783893 402052076 /nfs/dbraw/zinc/05/20/76/402052076.db2.gz AFRYILNSBQPLGY-LBPRGKRZSA-N 1 0 304.268 2.482 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000176985094 402357166 /nfs/dbraw/zinc/35/71/66/402357166.db2.gz SZTGKSDVVZMOFE-CQSZACIVSA-N 1 0 305.378 2.460 10 5 DEBERO O=[N+]([O-])c1cncc(Br)c1NC[C@@H]1CCCC[NH2+]1 ZINC000232479072 402357986 /nfs/dbraw/zinc/35/79/86/402357986.db2.gz LPVVEMYPXZMZNY-QMMMGPOBSA-N 1 0 315.171 2.306 10 5 DEBERO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163421263 402449277 /nfs/dbraw/zinc/44/92/77/402449277.db2.gz QTBRAEOZHCNQLO-XJKSGUPXSA-N 1 0 307.394 2.356 10 5 DEBERO CCc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000245411862 402457703 /nfs/dbraw/zinc/45/77/03/402457703.db2.gz YVFRLMLMERPYRB-IUODEOHRSA-N 1 0 317.389 2.466 10 5 DEBERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)C[C@H]21 ZINC000262568581 402727150 /nfs/dbraw/zinc/72/71/50/402727150.db2.gz XCRJIZLVSTXIJK-FBIMIBRVSA-N 1 0 319.390 2.163 10 5 DEBERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000183127437 402741680 /nfs/dbraw/zinc/74/16/80/402741680.db2.gz SSERVQSTJBICNC-UHIISALHSA-N 1 0 307.350 2.079 10 5 DEBERO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000174736146 402754721 /nfs/dbraw/zinc/75/47/21/402754721.db2.gz BCSIOZOCSLFRPU-ZDUSSCGKSA-N 1 0 323.393 2.150 10 5 DEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000175026126 402772655 /nfs/dbraw/zinc/77/26/55/402772655.db2.gz BHDBLSWECMGHFX-NWDGAFQWSA-N 1 0 309.391 2.355 10 5 DEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183583826 402778578 /nfs/dbraw/zinc/77/85/78/402778578.db2.gz RXYSVHIISWOQGV-NWDGAFQWSA-N 1 0 319.365 2.080 10 5 DEBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175486905 402810804 /nfs/dbraw/zinc/81/08/04/402810804.db2.gz SOMRYOZYFGCDRR-CQSZACIVSA-N 1 0 319.405 2.452 10 5 DEBERO CCc1cc([N+](=O)[O-])c(C[NH3+])cc1I ZINC000575725680 406825432 /nfs/dbraw/zinc/82/54/32/406825432.db2.gz MMLJEGDNTMRQPF-UHFFFAOYSA-N 1 0 306.103 2.221 10 5 DEBERO CC1(C)CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000261757592 535350336 /nfs/dbraw/zinc/35/03/36/535350336.db2.gz FBNRQJZOVLDOAS-LLVKDONJSA-N 1 0 311.769 2.448 10 5 DEBERO COc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000262553457 536831690 /nfs/dbraw/zinc/83/16/90/536831690.db2.gz SUUPNJLKRHPBJW-NHCYSSNCSA-N 1 0 309.341 2.306 10 5 DEBERO C[C@@H](CCO)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162216205 625378706 /nfs/dbraw/zinc/37/87/06/625378706.db2.gz QAINXNCGWUKEOQ-QMMMGPOBSA-N 1 0 303.156 2.218 10 5 DEBERO COc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000262315901 685200466 /nfs/dbraw/zinc/20/04/66/685200466.db2.gz QHKJXUVBHFNWLC-NHCYSSNCSA-N 1 0 309.341 2.306 10 5 DEBERO O=[N+]([O-])c1cc(Br)ccc1COC[C@@H]1CC[NH2+]C1 ZINC000162290963 197556696 /nfs/dbraw/zinc/55/66/96/197556696.db2.gz LYORSQGDFFLANZ-SECBINFHSA-N 1 0 315.167 2.483 10 5 DEBERO CC[N@@H+]1CCC[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000612440109 361829115 /nfs/dbraw/zinc/82/91/15/361829115.db2.gz XNWZEYNXPRMXKB-LLVKDONJSA-N 1 0 301.350 2.434 10 5 DEBERO CC1(C)CC[C@@H]([NH3+])[C@@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000081942409 192344606 /nfs/dbraw/zinc/34/46/06/192344606.db2.gz UTFQBFXJPYTZTR-OLZOCXBDSA-N 1 0 312.391 2.275 10 5 DEBERO O=[N+]([O-])c1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c(C(F)(F)F)c1 ZINC000090323078 185291156 /nfs/dbraw/zinc/29/11/56/185291156.db2.gz NUDQHPKTMJEOQC-IUCAKERBSA-N 1 0 301.268 2.269 10 5 DEBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000090549644 185302507 /nfs/dbraw/zinc/30/25/07/185302507.db2.gz URPSHOLFWHHNKZ-CYBMUJFWSA-N 1 0 303.318 2.187 10 5 DEBERO CN(C)C(=O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000179685204 282231629 /nfs/dbraw/zinc/23/16/29/282231629.db2.gz VWTHJCPWOSXLRH-FNORWQNLSA-N 1 0 317.389 2.408 10 5 DEBERO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(OC)c2)CC[N@@H+]1CCOC ZINC000174737208 198377863 /nfs/dbraw/zinc/37/78/63/198377863.db2.gz SOXVXEJJOMYIOE-ZDUSSCGKSA-N 1 0 323.393 2.150 10 5 DEBERO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006224418 181321180 /nfs/dbraw/zinc/32/11/80/181321180.db2.gz TTZLEHRPTBJHKR-GFCCVEGCSA-N 1 0 309.753 2.072 10 5 DEBERO COC(=O)[C@@]1([NH3+])CC[C@@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093847176 193317979 /nfs/dbraw/zinc/31/79/79/193317979.db2.gz CUURLTAZJHUYPQ-NOZJJQNGSA-N 1 0 314.725 2.050 10 5 DEBERO C[NH2+][C@@H]1[C@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1(C)C ZINC000094311252 193358704 /nfs/dbraw/zinc/35/87/04/193358704.db2.gz MHQCHFSZXTUJBI-CHWSQXEVSA-N 1 0 312.391 2.145 10 5 DEBERO C[C@@H]([NH3+])CCC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094188554 193347666 /nfs/dbraw/zinc/34/76/66/193347666.db2.gz RDCNFAKDZGHFNP-SSDOTTSWSA-N 1 0 316.155 2.423 10 5 DEBERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc([N+](=O)[O-])ccc1Cl ZINC000040740769 183127009 /nfs/dbraw/zinc/12/70/09/183127009.db2.gz KTYFDIYFINVAHK-ULKQDVFKSA-N 1 0 309.753 2.261 10 5 DEBERO C[NH+](C)C[C@H]1CCCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000109670891 194278464 /nfs/dbraw/zinc/27/84/64/194278464.db2.gz ZAKGRQVYZMQABG-CYBMUJFWSA-N 1 0 308.407 2.318 10 5 DEBERO C[NH2+]C(C)(C)C(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000061316351 184168491 /nfs/dbraw/zinc/16/84/91/184168491.db2.gz PTLLJEDYAFEISD-UHFFFAOYSA-N 1 0 316.155 2.294 10 5 DEBERO COCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC(F)(F)F ZINC000062732098 184251542 /nfs/dbraw/zinc/25/15/42/184251542.db2.gz WNTCNBHIHJPKOH-UHFFFAOYSA-N 1 0 308.256 2.272 10 5 DEBERO [NH3+][C@@H]1CCN(c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000158747970 197297844 /nfs/dbraw/zinc/29/78/44/197297844.db2.gz ZOKDWARVVYTDAH-ZCFIWIBFSA-N 1 0 304.119 2.034 10 5 DEBERO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1CCS(=O)CC1 ZINC000158138727 197246651 /nfs/dbraw/zinc/24/66/51/197246651.db2.gz DXBPDTBNFSYKNY-UHFFFAOYSA-N 1 0 302.783 2.249 10 5 DEBERO C[NH2+]C[C@H]1CN(c2cc(Cl)c(Cl)cc2[N+](=O)[O-])CCO1 ZINC000157817984 197217320 /nfs/dbraw/zinc/21/73/20/197217320.db2.gz RGCLPHWQPMIUHX-QMMMGPOBSA-N 1 0 320.176 2.326 10 5 DEBERO C[NH+](C)CCNCc1cc(Br)ccc1[N+](=O)[O-] ZINC000122004859 195389420 /nfs/dbraw/zinc/38/94/20/195389420.db2.gz XFLYSEGHPABIMO-UHFFFAOYSA-N 1 0 302.172 2.009 10 5 DEBERO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH+]2CCC1CC2 ZINC000188667868 145015567 /nfs/dbraw/zinc/01/55/67/145015567.db2.gz WHFDYRVVHPJPQF-UHFFFAOYSA-N 1 0 309.753 2.168 10 5 DEBERO COc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000251798018 145196159 /nfs/dbraw/zinc/19/61/59/145196159.db2.gz MDYGKUPAFKEGCM-MLGOLLRUSA-N 1 0 324.377 2.339 10 5 DEBERO Cc1c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000113233695 401772049 /nfs/dbraw/zinc/77/20/49/401772049.db2.gz TVCWYCDWIFAZKU-AAEUAGOBSA-N 1 0 303.362 2.212 10 5 DEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000052955247 402049298 /nfs/dbraw/zinc/04/92/98/402049298.db2.gz BEDQNKISWLADJC-LBPRGKRZSA-N 1 0 320.393 2.293 10 5 DEBERO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000070198807 402258741 /nfs/dbraw/zinc/25/87/41/402258741.db2.gz CVFNZZSLQLLIHZ-NSHDSACASA-N 1 0 309.753 2.168 10 5 DEBERO O=[N+]([O-])c1ccn(CC[N@H+](C[C@@H]2CCCO2)C2CCCC2)n1 ZINC000176266907 402295475 /nfs/dbraw/zinc/29/54/75/402295475.db2.gz QQJXUAFHZFISNU-AWEZNQCLSA-N 1 0 308.382 2.215 10 5 DEBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000160595527 402353169 /nfs/dbraw/zinc/35/31/69/402353169.db2.gz WRKZKMZBQPYIRB-OAHLLOKOSA-N 1 0 305.378 2.445 10 5 DEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245574772 402471774 /nfs/dbraw/zinc/47/17/74/402471774.db2.gz ZLJNTNAGSYQLMO-WCQYABFASA-N 1 0 321.381 2.184 10 5 DEBERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000171070453 402554170 /nfs/dbraw/zinc/55/41/70/402554170.db2.gz YPRSSCHSSZFILS-SNVBAGLBSA-N 1 0 312.757 2.416 10 5 DEBERO CCOc1cc(N2CC[N@H+](CCOC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000246527453 402535273 /nfs/dbraw/zinc/53/52/73/402535273.db2.gz WFUTUDRPIIQRFO-ZDUSSCGKSA-N 1 0 323.393 2.150 10 5 DEBERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000170874655 402536588 /nfs/dbraw/zinc/53/65/88/402536588.db2.gz MWAXWZCAFBUZEP-SNVBAGLBSA-N 1 0 312.757 2.416 10 5 DEBERO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000171694178 402610600 /nfs/dbraw/zinc/61/06/00/402610600.db2.gz YTFKNKMWHCQPNJ-NSHDSACASA-N 1 0 309.391 2.361 10 5 DEBERO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172515789 402660542 /nfs/dbraw/zinc/66/05/42/402660542.db2.gz CIOQNMNGJOZPHQ-LBPRGKRZSA-N 1 0 309.753 2.168 10 5 DEBERO [NH3+][C@@H]1CCC[C@H]2CN(c3ncnc4sc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000262568584 402727377 /nfs/dbraw/zinc/72/73/77/402727377.db2.gz XCRJIZLVSTXIJK-INTQDDNPSA-N 1 0 319.390 2.163 10 5 DEBERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000183112553 402739988 /nfs/dbraw/zinc/73/99/88/402739988.db2.gz ODGNWTLJMAHGPM-SUNKGSAMSA-N 1 0 307.350 2.079 10 5 DEBERO Cc1csc(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000174838348 402759682 /nfs/dbraw/zinc/75/96/82/402759682.db2.gz PFLJRLFUMOWTQD-UHFFFAOYSA-N 1 0 321.406 2.436 10 5 DEBERO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278177976 402861588 /nfs/dbraw/zinc/86/15/88/402861588.db2.gz BKJCXRQWIIZLRP-ABAIWWIYSA-N 1 0 315.377 2.392 10 5 DEBERO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000301483307 403636103 /nfs/dbraw/zinc/63/61/03/403636103.db2.gz UMPMHLNALVKLIJ-MNOVXSKESA-N 1 0 309.341 2.415 10 5 DEBERO C[NH+](C)C[C@H]1CCCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287975407 403702853 /nfs/dbraw/zinc/70/28/53/403702853.db2.gz UPKWYMISXCDRGF-SECBINFHSA-N 1 0 307.379 2.130 10 5 DEBERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000342433752 404575923 /nfs/dbraw/zinc/57/59/23/404575923.db2.gz UUBWEWUIVNHILH-MJBXVCDLSA-N 1 0 323.418 2.393 10 5 DEBERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000389726425 405039130 /nfs/dbraw/zinc/03/91/30/405039130.db2.gz LLRFEUYDCBYNHS-GMSGAONNSA-N 1 0 315.171 2.162 10 5 DEBERO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000132052970 196221794 /nfs/dbraw/zinc/22/17/94/196221794.db2.gz DVCWRIPOLWQBOG-JQWIXIFHSA-N 1 0 309.341 2.289 10 5 DEBERO C[C@@H]1C[C@H]([NH3+])CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000132147678 196230961 /nfs/dbraw/zinc/23/09/61/196230961.db2.gz NLBGTICGRTZMEA-HTQZYQBOSA-N 1 0 315.171 2.068 10 5 DEBERO C[C@@H]1C[NH2+]C[C@@H](COCc2c(Cl)cccc2[N+](=O)[O-])O1 ZINC000132811528 196286307 /nfs/dbraw/zinc/28/63/07/196286307.db2.gz PQIMDQCBVDLZFO-ZJUUUORDSA-N 1 0 300.742 2.142 10 5 DEBERO C[C@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC000133079288 196310041 /nfs/dbraw/zinc/31/00/41/196310041.db2.gz SZTMQSAXFZPTKQ-MRVPVSSYSA-N 1 0 303.156 2.218 10 5 DEBERO CCN1CCO[C@@H](C[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000134437651 196391017 /nfs/dbraw/zinc/39/10/17/196391017.db2.gz CYNIAHFFYGHADJ-LBPRGKRZSA-N 1 0 313.785 2.059 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1-c1noc([C@H]2CSC[C@H]2[NH3+])n1 ZINC000134805142 196421219 /nfs/dbraw/zinc/42/12/19/196421219.db2.gz VEASYGUIEBKGGA-WDEREUQCSA-N 1 0 306.347 2.111 10 5 DEBERO COc1ccc(OCC[NH2+][C@@H](C)[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000183124242 277921729 /nfs/dbraw/zinc/92/17/29/277921729.db2.gz OYKRQYVDAMUKDF-FZMZJTMJSA-N 1 0 310.350 2.139 10 5 DEBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000246511812 519692913 /nfs/dbraw/zinc/69/29/13/519692913.db2.gz JUGQJLQPXUUQFD-ZWNOBZJWSA-N 1 0 309.341 2.192 10 5 DEBERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C[C@H]12 ZINC000248615192 527368183 /nfs/dbraw/zinc/36/81/83/527368183.db2.gz LUSXPPJTEUDJLK-OXHMUOHRSA-N 1 0 309.753 2.058 10 5 DEBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262173866 535093369 /nfs/dbraw/zinc/09/33/69/535093369.db2.gz KLAVDWVBYIUYAT-LBPRGKRZSA-N 1 0 305.378 2.187 10 5 DEBERO CC1(C)CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1[NH3+] ZINC000261609988 535356933 /nfs/dbraw/zinc/35/69/33/535356933.db2.gz BVQKIYGWTOHONA-ZDUSSCGKSA-N 1 0 304.350 2.295 10 5 DEBERO C/C(=C\C(=O)NC[C@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000752348226 639174059 /nfs/dbraw/zinc/17/40/59/639174059.db2.gz OWPSAQREYJBWPN-HBIYDYFMSA-N 1 0 303.362 2.209 10 5 DEBERO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@H]1CC[NH2+]C1 ZINC000127905969 641445515 /nfs/dbraw/zinc/44/55/15/641445515.db2.gz OVEQTZOAVDZTKU-SNVBAGLBSA-N 1 0 311.769 2.206 10 5 DEBERO COCCOC[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000174115047 646791352 /nfs/dbraw/zinc/79/13/52/646791352.db2.gz OKYYZJJQYNNLGS-LBPRGKRZSA-N 1 0 312.341 2.219 10 5 DEBERO CN(C)C(=O)Sc1cccc(C[N+]23CCN(CC2)CC3)c1 ZINC000083975348 717135735 /nfs/dbraw/zinc/13/57/35/717135735.db2.gz XCCZLDCCBLGGPP-UHFFFAOYSA-N 1 0 306.455 2.106 10 5 DEBERO COC[C@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162108811 197544035 /nfs/dbraw/zinc/54/40/35/197544035.db2.gz UXVHZECFBGJQAM-QMMMGPOBSA-N 1 0 303.156 2.482 10 5 DEBERO CC[C@@H]([NH2+][C@H](C)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000081902091 192336683 /nfs/dbraw/zinc/33/66/83/192336683.db2.gz CRXGHRKBSBDSTO-ZWNOBZJWSA-N 1 0 300.380 2.069 10 5 DEBERO [NH3+][C@@H]1CCCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000162362988 197561641 /nfs/dbraw/zinc/56/16/41/197561641.db2.gz GTMAJRGPTZKPRV-LLVKDONJSA-N 1 0 314.183 2.280 10 5 DEBERO CN1CCC[C@@H]([NH3+])[C@@H]1c1ccc(Br)cc1[N+](=O)[O-] ZINC000162815765 197593877 /nfs/dbraw/zinc/59/38/77/197593877.db2.gz NJKWXQWFIDHGGX-PWSUYJOCSA-N 1 0 314.183 2.451 10 5 DEBERO CCC[NH2+][C@H](C)[C@@H](C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081961521 192346068 /nfs/dbraw/zinc/34/60/68/192346068.db2.gz TZJRJBINJFUQIO-GHMZBOCLSA-N 1 0 300.380 2.145 10 5 DEBERO [NH3+]C[C@@]1(Cc2ccc([N+](=O)[O-])cc2Br)CCOC1 ZINC000087932549 185237737 /nfs/dbraw/zinc/23/77/37/185237737.db2.gz NVLJYTIZUOBSTE-LBPRGKRZSA-N 1 0 315.167 2.265 10 5 DEBERO NC(=[NH2+])CCCOc1ccc(Br)cc1[N+](=O)[O-] ZINC000088086637 185239435 /nfs/dbraw/zinc/23/94/35/185239435.db2.gz AUGCMMOSPGTYGS-UHFFFAOYSA-N 1 0 302.128 2.452 10 5 DEBERO Cc1c(Br)c(N[C@H](C[NH3+])C(C)C)ncc1[N+](=O)[O-] ZINC000165827709 197682994 /nfs/dbraw/zinc/68/29/94/197682994.db2.gz NSXFSKOBKXPKID-MRVPVSSYSA-N 1 0 317.187 2.456 10 5 DEBERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1Nc1ccc2scnc2c1[N+](=O)[O-] ZINC000090313923 185290690 /nfs/dbraw/zinc/29/06/90/185290690.db2.gz SUOUGKRXGOSZGY-NMLBEHRDSA-N 1 0 308.363 2.121 10 5 DEBERO CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc(CO)ccc1[N+](=O)[O-] ZINC000302053386 529930650 /nfs/dbraw/zinc/93/06/50/529930650.db2.gz PPNKCLHJUNGOEG-AWEZNQCLSA-N 1 0 307.394 2.398 10 5 DEBERO C[NH+](C)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000152558596 186085117 /nfs/dbraw/zinc/08/51/17/186085117.db2.gz WZXNRRDGNAXHOL-UHFFFAOYSA-N 1 0 311.769 2.414 10 5 DEBERO O=[N+]([O-])c1cnn(CCN2CCCC[C@@H]2c2nccs2)c1 ZINC000174838550 198391613 /nfs/dbraw/zinc/39/16/13/198391613.db2.gz AXXACYBKFGYTPR-GFCCVEGCSA-N 1 0 307.379 2.475 10 5 DEBERO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183398865 356170763 /nfs/dbraw/zinc/17/07/63/356170763.db2.gz SKFAVXYALJGRJE-CQSZACIVSA-N 1 0 305.378 2.203 10 5 DEBERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2ccccc2[N+](=O)[O-])C1 ZINC000585814932 357361361 /nfs/dbraw/zinc/36/13/61/357361361.db2.gz YBYSEPLNSXFPQB-KBPBESRZSA-N 1 0 305.378 2.284 10 5 DEBERO [NH3+]CCN(CCc1ccccc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000261798149 283435610 /nfs/dbraw/zinc/43/56/10/283435610.db2.gz VJOAWWYNUFOFBH-UHFFFAOYSA-N 1 0 319.386 2.300 10 5 DEBERO [NH3+]C[C@H]1CCC[C@H]1Oc1ncc([N+](=O)[O-])cc1Br ZINC000093434586 193251243 /nfs/dbraw/zinc/25/12/43/193251243.db2.gz SRAZTWYLJCYFEF-GMSGAONNSA-N 1 0 316.155 2.259 10 5 DEBERO COC(=O)[C@]1([NH3+])CC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000093847089 193317886 /nfs/dbraw/zinc/31/78/86/193317886.db2.gz XEVPIIFIJAEDTF-ZANVPECISA-N 1 0 314.725 2.050 10 5 DEBERO CC(C)[C@H]([NH3+])C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094188583 193348103 /nfs/dbraw/zinc/34/81/03/193348103.db2.gz CULAKFGXFBNCIB-JTQLQIEISA-N 1 0 316.155 2.279 10 5 DEBERO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]1 ZINC000094188661 193348119 /nfs/dbraw/zinc/34/81/19/193348119.db2.gz JJXMVOQRWIKARK-VIFPVBQESA-N 1 0 314.139 2.048 10 5 DEBERO CSc1nc(Oc2ccc([N+](=O)[O-])cc2F)cc(NN)[nH+]1 ZINC000160844587 197443355 /nfs/dbraw/zinc/44/33/55/197443355.db2.gz UYAYLBGQLNVMHT-UHFFFAOYSA-N 1 0 311.298 2.324 10 5 DEBERO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000061644466 184180400 /nfs/dbraw/zinc/18/04/00/184180400.db2.gz HWBYYTVZUXEPEI-LLVKDONJSA-N 1 0 311.769 2.414 10 5 DEBERO COc1cc(C[NH3+])c([N+](=O)[O-])cc1OCc1cnc(C)s1 ZINC000062336678 184230886 /nfs/dbraw/zinc/23/08/86/184230886.db2.gz ILXXEDJGEXHZIC-UHFFFAOYSA-N 1 0 309.347 2.406 10 5 DEBERO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000270307425 208381610 /nfs/dbraw/zinc/38/16/10/208381610.db2.gz RQRCHRDLCLSFGW-OLZOCXBDSA-N 1 0 301.350 2.186 10 5 DEBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000155288685 197040920 /nfs/dbraw/zinc/04/09/20/197040920.db2.gz RHRQVZYFGHOYJC-CJNGLKHVSA-N 1 0 319.405 2.372 10 5 DEBERO Cn1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000358236417 133130413 /nfs/dbraw/zinc/13/04/13/133130413.db2.gz KNFYQCNRWDNJEH-OAHLLOKOSA-N 1 0 300.362 2.439 10 5 DEBERO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000188845224 145018484 /nfs/dbraw/zinc/01/84/84/145018484.db2.gz FESYQWGAWAWPFM-UHFFFAOYSA-N 1 0 309.753 2.168 10 5 DEBERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246288298 145097365 /nfs/dbraw/zinc/09/73/65/145097365.db2.gz OOCLSUOVSKSPIE-HYVNUMGLSA-N 1 0 319.405 2.187 10 5 DEBERO Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247310530 145132573 /nfs/dbraw/zinc/13/25/73/145132573.db2.gz HLDNVUGOHWISAI-JSGCOSHPSA-N 1 0 305.378 2.458 10 5 DEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247346578 145133815 /nfs/dbraw/zinc/13/38/15/145133815.db2.gz JKNCIKISEPIEGJ-CMPLNLGQSA-N 1 0 311.407 2.459 10 5 DEBERO O=[N+]([O-])c1ccc2[nH]c(N3CCC([NH2+]CC4CC4)CC3)nc2c1 ZINC000261786544 145226489 /nfs/dbraw/zinc/22/64/89/145226489.db2.gz SLZDHMAGZBJQTH-UHFFFAOYSA-N 1 0 315.377 2.440 10 5 DEBERO Cc1c(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cccc1[N+](=O)[O-] ZINC000261894036 145238946 /nfs/dbraw/zinc/23/89/46/145238946.db2.gz ODAKJWRMSBJAFA-CFVMTHIKSA-N 1 0 317.389 2.440 10 5 DEBERO C[C@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)C1C[NH2+]C1 ZINC000262279057 145273748 /nfs/dbraw/zinc/27/37/48/145273748.db2.gz WTRGTYOFEDKRHQ-VIFPVBQESA-N 1 0 311.769 2.062 10 5 DEBERO C[C@H]1CN(C)C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000127286391 401727478 /nfs/dbraw/zinc/72/74/78/401727478.db2.gz HOCCOTCOFUYYEA-UWVGGRQHSA-N 1 0 311.769 2.413 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000113231274 401771233 /nfs/dbraw/zinc/77/12/33/401771233.db2.gz JMFCQFPUVPWBGQ-ZYHUDNBSSA-N 1 0 307.325 2.043 10 5 DEBERO C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000122930380 402102201 /nfs/dbraw/zinc/10/22/01/402102201.db2.gz ZVKRVFORJYWGOQ-OCCSQVGLSA-N 1 0 305.378 2.078 10 5 DEBERO C[C@H]1C[C@H](N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123539963 402132885 /nfs/dbraw/zinc/13/28/85/402132885.db2.gz ZGKZWJRMRGIWLA-CMPLNLGQSA-N 1 0 309.341 2.289 10 5 DEBERO C[C@@H]1C[C@H](N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123539738 402132947 /nfs/dbraw/zinc/13/29/47/402132947.db2.gz ZGKZWJRMRGIWLA-ZYHUDNBSSA-N 1 0 309.341 2.289 10 5 DEBERO C[C@H]1C[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000124829591 402199235 /nfs/dbraw/zinc/19/92/35/402199235.db2.gz ATXSCKTXQPEZSZ-SWLSCSKDSA-N 1 0 305.378 2.078 10 5 DEBERO CCO[C@H]1C[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C12CCCC2 ZINC000176260723 402294991 /nfs/dbraw/zinc/29/49/91/402294991.db2.gz JVERLMOVBCVLFJ-KGLIPLIRSA-N 1 0 322.409 2.461 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177034815 402362181 /nfs/dbraw/zinc/36/21/81/402362181.db2.gz TZDUFLRMWJEMBR-AWEZNQCLSA-N 1 0 305.378 2.460 10 5 DEBERO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162229630 402413816 /nfs/dbraw/zinc/41/38/16/402413816.db2.gz VOTKOZODKJMNHD-IUCAKERBSA-N 1 0 317.183 2.464 10 5 DEBERO CC(C)NC(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178000423 402450913 /nfs/dbraw/zinc/45/09/13/402450913.db2.gz DQXWXKJPNVETGE-UHFFFAOYSA-N 1 0 305.378 2.474 10 5 DEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245574768 402471227 /nfs/dbraw/zinc/47/12/27/402471227.db2.gz ZLJNTNAGSYQLMO-AAEUAGOBSA-N 1 0 321.381 2.184 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000247402555 402566333 /nfs/dbraw/zinc/56/63/33/402566333.db2.gz MSNBSZXWPOAFAI-IUODEOHRSA-N 1 0 305.378 2.315 10 5 DEBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170859988 402533645 /nfs/dbraw/zinc/53/36/45/402533645.db2.gz QETSHBXUXRZJQO-YPMHNXCESA-N 1 0 323.418 2.238 10 5 DEBERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000191300451 402659129 /nfs/dbraw/zinc/65/91/29/402659129.db2.gz WQUHQLXFWSOXPP-CYBMUJFWSA-N 1 0 321.377 2.126 10 5 DEBERO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000251516117 402647601 /nfs/dbraw/zinc/64/76/01/402647601.db2.gz CKBWRQMWZOSRKV-SWLSCSKDSA-N 1 0 321.377 2.280 10 5 DEBERO CC(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183304220 402754522 /nfs/dbraw/zinc/75/45/22/402754522.db2.gz FIVDPSRACHLOMJ-UHFFFAOYSA-N 1 0 305.378 2.346 10 5 DEBERO COC(=O)c1cnc(NCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000276570960 403187336 /nfs/dbraw/zinc/18/73/36/403187336.db2.gz NCBJZOAOIYUTNX-LLVKDONJSA-N 1 0 322.365 2.063 10 5 DEBERO C[C@H]1C[N@@H+](C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000301114187 403591551 /nfs/dbraw/zinc/59/15/51/403591551.db2.gz XUSXZFCEMYDJKH-ZDUSSCGKSA-N 1 0 305.378 2.284 10 5 DEBERO O=C(C[NH2+]C1(CCO)CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000440899139 405330376 /nfs/dbraw/zinc/33/03/76/405330376.db2.gz ZDRWZFQAKIAITA-UHFFFAOYSA-N 1 0 321.377 2.208 10 5 DEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129400351 196044602 /nfs/dbraw/zinc/04/46/02/196044602.db2.gz BRJGIOIIOMGVOR-UHFFFAOYSA-N 1 0 320.393 2.148 10 5 DEBERO C[C@@H](CC[NH3+])C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000130583970 196093294 /nfs/dbraw/zinc/09/32/94/196093294.db2.gz BJONJMPGARGJPX-ZETCQYMHSA-N 1 0 316.155 2.281 10 5 DEBERO CC[NH+](CC)[C@H](C)CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054647097 276116474 /nfs/dbraw/zinc/11/64/74/276116474.db2.gz YBMDTWIRWIBUHP-CYBMUJFWSA-N 1 0 322.409 2.167 10 5 DEBERO Cc1cc(N(C)[C@@H](C)C[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000382981685 333180957 /nfs/dbraw/zinc/18/09/57/333180957.db2.gz VKBBWKFRFLMXHH-QMMMGPOBSA-N 1 0 302.172 2.449 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246720944 526073972 /nfs/dbraw/zinc/07/39/72/526073972.db2.gz ADEHKWZHVPOJJQ-IUODEOHRSA-N 1 0 305.378 2.362 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000302058123 529106451 /nfs/dbraw/zinc/10/64/51/529106451.db2.gz ATCSTJHQSLPDKE-LBPRGKRZSA-N 1 0 307.350 2.278 10 5 DEBERO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)CC[N@@H+]1C[C@H](C)O ZINC000248638321 535864768 /nfs/dbraw/zinc/86/47/68/535864768.db2.gz QUDXGIKZOYEDQP-GOEBONIOSA-N 1 0 321.421 2.180 10 5 DEBERO C[C@@H](CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[S@@](C)=O ZINC000229797315 646702440 /nfs/dbraw/zinc/70/24/40/646702440.db2.gz IJRLURZTTFSUDN-ZRNGKTOUSA-N 1 0 304.799 2.495 10 5 DEBERO C[NH2+][C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000116942523 684066860 /nfs/dbraw/zinc/06/68/60/684066860.db2.gz AFEDZSKQDJKGAG-MRVPVSSYSA-N 1 0 300.156 2.155 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000247117610 685142906 /nfs/dbraw/zinc/14/29/06/685142906.db2.gz PMRYJXJTMIGYLT-DOMZBBRYSA-N 1 0 315.377 2.071 10 5 DEBERO CCC[C@H]([NH3+])[C@@H](CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942151 192344021 /nfs/dbraw/zinc/34/40/21/192344021.db2.gz YZNZITMFJRVYBK-QWHCGFSZSA-N 1 0 300.380 2.275 10 5 DEBERO CC[C@@H]1CC[C@@H]([NH3+])[C@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000081941960 192344046 /nfs/dbraw/zinc/34/40/46/192344046.db2.gz YPRGWEZJQHNGRJ-LERXQTSPSA-N 1 0 312.391 2.275 10 5 DEBERO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123572562 185821013 /nfs/dbraw/zinc/82/10/13/185821013.db2.gz NPXHKTHFTLXWDF-SNVBAGLBSA-N 1 0 302.758 2.376 10 5 DEBERO Cc1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000155730330 186107630 /nfs/dbraw/zinc/10/76/30/186107630.db2.gz LSEFRWHJIJFMBM-GXTWGEPZSA-N 1 0 305.378 2.362 10 5 DEBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173256898 198202493 /nfs/dbraw/zinc/20/24/93/198202493.db2.gz LMTYCHVFCSAESZ-CQSZACIVSA-N 1 0 307.394 2.230 10 5 DEBERO CC(C)[NH+](CCCNc1ncc([N+](=O)[O-])cc1C(N)=O)C(C)C ZINC000173919525 198269125 /nfs/dbraw/zinc/26/91/25/198269125.db2.gz CYSNXJLOWHBPQI-UHFFFAOYSA-N 1 0 323.397 2.010 10 5 DEBERO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1[N+](=O)[O-] ZINC000180581816 199179887 /nfs/dbraw/zinc/17/98/87/199179887.db2.gz YGKKXBSQHTWYSF-AAEUAGOBSA-N 1 0 301.350 2.160 10 5 DEBERO COC(=O)[C@]1([NH3+])CC[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000093834469 193314619 /nfs/dbraw/zinc/31/46/19/193314619.db2.gz BULJXRPPKPSQFU-RNCFNFMXSA-N 1 0 314.725 2.050 10 5 DEBERO CN(C)c1ncnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000040608401 183108901 /nfs/dbraw/zinc/10/89/01/183108901.db2.gz QIMSVZYRUUMFLO-UHFFFAOYSA-N 1 0 322.413 2.172 10 5 DEBERO O=[N+]([O-])c1ccc(OCCN2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000061040693 184160417 /nfs/dbraw/zinc/16/04/17/184160417.db2.gz MFNRSOWXLMWCFS-UHFFFAOYSA-N 1 0 305.378 2.144 10 5 DEBERO O=[N+]([O-])c1c(Cl)ncnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062983391 184264571 /nfs/dbraw/zinc/26/45/71/184264571.db2.gz JZSPSCNVSZMWGK-JTQLQIEISA-N 1 0 311.773 2.103 10 5 DEBERO C[NH2+]C[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000063167650 184275860 /nfs/dbraw/zinc/27/58/60/184275860.db2.gz VEDPHFLVWVOXDX-LLVKDONJSA-N 1 0 311.769 2.462 10 5 DEBERO CN(CCC[NH+](C)C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000539417235 285076811 /nfs/dbraw/zinc/07/68/11/285076811.db2.gz HIUFYUYADBACRZ-UHFFFAOYSA-N 1 0 307.394 2.283 10 5 DEBERO CN(CCC[NH3+])c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000158782007 197301122 /nfs/dbraw/zinc/30/11/22/197301122.db2.gz WYSSJBZYWRRAHU-UHFFFAOYSA-N 1 0 306.135 2.281 10 5 DEBERO Cc1cc([N+](=O)[O-])c(Cl)cc1NC[C@H]1C[N@@H+](C)CCN1C ZINC000157695008 197208976 /nfs/dbraw/zinc/20/89/76/197208976.db2.gz TXJNPORIZZMFNO-NSHDSACASA-N 1 0 312.801 2.214 10 5 DEBERO C[C@H]([NH3+])[C@H]1CN(c2cc(Cl)c(Cl)cc2[N+](=O)[O-])CCO1 ZINC000156556773 197122496 /nfs/dbraw/zinc/12/24/96/197122496.db2.gz YNDWAUOOPZDGBQ-JVXZTZIISA-N 1 0 320.176 2.454 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247444836 145137087 /nfs/dbraw/zinc/13/70/87/145137087.db2.gz PSNVWSQNBZBRBM-STQMWFEESA-N 1 0 305.378 2.458 10 5 DEBERO COc1ccc(OCCN2CC[C@H]([NH3+])C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000261918149 145241503 /nfs/dbraw/zinc/24/15/03/145241503.db2.gz YIYCTCDLAFNTQV-HNNXBMFYSA-N 1 0 323.393 2.041 10 5 DEBERO O=[N+]([O-])c1cc(CNC2=[NH+]CCCN2)cc(C(F)(F)F)c1 ZINC000262768594 145304127 /nfs/dbraw/zinc/30/41/27/145304127.db2.gz IBXXADDLRUZXOD-UHFFFAOYSA-N 1 0 302.256 2.053 10 5 DEBERO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000128482142 401779053 /nfs/dbraw/zinc/77/90/53/401779053.db2.gz QCRFOHFZQJBQED-INIZCTEOSA-N 1 0 317.389 2.224 10 5 DEBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000077730108 401827940 /nfs/dbraw/zinc/82/79/40/401827940.db2.gz VIBUUXROMKQTGI-CYBMUJFWSA-N 1 0 323.393 2.066 10 5 DEBERO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037989901 401919401 /nfs/dbraw/zinc/91/94/01/401919401.db2.gz YJWZCIRMMHKXLT-LLVKDONJSA-N 1 0 309.753 2.168 10 5 DEBERO C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000151324868 402030111 /nfs/dbraw/zinc/03/01/11/402030111.db2.gz RSIJEJISTBNEPW-XJKSGUPXSA-N 1 0 307.394 2.092 10 5 DEBERO Cc1c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000123179558 402114834 /nfs/dbraw/zinc/11/48/34/402114834.db2.gz JSCJQBJYBCVULI-YPMHNXCESA-N 1 0 305.378 2.458 10 5 DEBERO Cc1sc(C(=O)N(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000103451893 402189320 /nfs/dbraw/zinc/18/93/20/402189320.db2.gz HXROCIYBCAFEBS-UHFFFAOYSA-N 1 0 311.407 2.379 10 5 DEBERO Cc1cc(C(=O)NCC[N@H+]2CCCC[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000104144941 402198795 /nfs/dbraw/zinc/19/87/95/402198795.db2.gz CSQOSNXULURONG-GFCCVEGCSA-N 1 0 320.393 2.090 10 5 DEBERO C[NH+](C)C[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000153843920 402174086 /nfs/dbraw/zinc/17/40/86/402174086.db2.gz FXZCPSRBXLKFRG-GFCCVEGCSA-N 1 0 313.785 2.011 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000177025829 402361015 /nfs/dbraw/zinc/36/10/15/402361015.db2.gz GFSSJRQAMQOJMV-ZDUSSCGKSA-N 1 0 305.378 2.460 10 5 DEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000237585852 402413763 /nfs/dbraw/zinc/41/37/63/402413763.db2.gz JTQOFXDGZWLLCC-UHFFFAOYSA-N 1 0 320.393 2.340 10 5 DEBERO CC[C@H]([NH2+]CC(=O)Nc1nncs1)c1cccc([N+](=O)[O-])c1 ZINC000181548800 402649152 /nfs/dbraw/zinc/64/91/52/402649152.db2.gz GIUPOOQGBHWKSE-NSHDSACASA-N 1 0 321.362 2.126 10 5 DEBERO CC[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000181552531 402649589 /nfs/dbraw/zinc/64/95/89/402649589.db2.gz RDEKZOAYQIAVIU-SMDDNHRTSA-N 1 0 314.407 2.316 10 5 DEBERO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000174470350 402742836 /nfs/dbraw/zinc/74/28/36/402742836.db2.gz ZXJNKWMADKLZDO-ZDUSSCGKSA-N 1 0 305.378 2.317 10 5 DEBERO CN(CCn1cc([N+](=O)[O-])cn1)Cc1nc2c(s1)CCCC2 ZINC000175536092 402815278 /nfs/dbraw/zinc/81/52/78/402815278.db2.gz VODFACFVMIQYLX-UHFFFAOYSA-N 1 0 321.406 2.259 10 5 DEBERO O=[N+]([O-])c1cc(C[N@@H+]2CCOCC3(CCOCC3)C2)cs1 ZINC000184099870 402817871 /nfs/dbraw/zinc/81/78/71/402817871.db2.gz IVNCKTWJCUGHLD-UHFFFAOYSA-N 1 0 312.391 2.285 10 5 DEBERO C[N@@H+]1CCC[C@@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]21 ZINC000278170438 402861399 /nfs/dbraw/zinc/86/13/99/402861399.db2.gz AYNSYDVLRVVFDF-IAQYHMDHSA-N 1 0 315.377 2.392 10 5 DEBERO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000273515166 403011181 /nfs/dbraw/zinc/01/11/81/403011181.db2.gz XNXMOJMFNKFNBO-LBPRGKRZSA-N 1 0 322.340 2.436 10 5 DEBERO C[C@@H]1C[C@@H](Nc2ccncc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000361044033 404891761 /nfs/dbraw/zinc/89/17/61/404891761.db2.gz REBPOGNVKPRYPN-UKRRQHHQSA-N 1 0 312.373 2.487 10 5 DEBERO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000571619392 406543140 /nfs/dbraw/zinc/54/31/40/406543140.db2.gz QDPFCIFTFCQCDY-CHWSQXEVSA-N 1 0 305.378 2.156 10 5 DEBERO CCc1cc(I)cc(C[NH3+])c1[N+](=O)[O-] ZINC000575726737 406825277 /nfs/dbraw/zinc/82/52/77/406825277.db2.gz XGBPPNHLIDPCDG-UHFFFAOYSA-N 1 0 306.103 2.221 10 5 DEBERO C[C@@H]1C[NH2+]C[C@H](COCc2cc(Cl)ccc2[N+](=O)[O-])O1 ZINC000132815292 196286196 /nfs/dbraw/zinc/28/61/96/196286196.db2.gz RWDLTZYVFGQZHB-BXKDBHETSA-N 1 0 300.742 2.142 10 5 DEBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000133059171 196308648 /nfs/dbraw/zinc/30/86/48/196308648.db2.gz RBGOQNZULOBJDY-GFCCVEGCSA-N 1 0 323.418 2.483 10 5 DEBERO COC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000187961522 225003596 /nfs/dbraw/zinc/00/35/96/225003596.db2.gz BPVRJSVDLGVXQX-MRXNPFEDSA-N 1 0 308.378 2.169 10 5 DEBERO [NH3+][C@@H]1CCC[C@@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]21 ZINC000262323878 274957470 /nfs/dbraw/zinc/95/74/70/274957470.db2.gz RLOVKJVZGZPJND-YUSALJHKSA-N 1 0 301.350 2.035 10 5 DEBERO O=C(c1cc(F)ccc1[N+](=O)[O-])N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186544664 280166348 /nfs/dbraw/zinc/16/63/48/280166348.db2.gz AAFLSDDKDAEPOB-NSHDSACASA-N 1 0 307.325 2.091 10 5 DEBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000246511802 519695938 /nfs/dbraw/zinc/69/59/38/519695938.db2.gz JUGQJLQPXUUQFD-GXFFZTMASA-N 1 0 309.341 2.192 10 5 DEBERO COc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000262553456 536832623 /nfs/dbraw/zinc/83/26/23/536832623.db2.gz SUUPNJLKRHPBJW-JBLDHEPKSA-N 1 0 309.341 2.306 10 5 DEBERO COc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000262315896 624159002 /nfs/dbraw/zinc/15/90/02/624159002.db2.gz QHKJXUVBHFNWLC-HOSYDEDBSA-N 1 0 309.341 2.306 10 5 DEBERO C/C(=C\C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000751501988 639087701 /nfs/dbraw/zinc/08/77/01/639087701.db2.gz KXJQCCXOMRWGSE-IEZBTEQYSA-N 1 0 315.373 2.351 10 5 DEBERO COC[C@H](C)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000034995531 639531360 /nfs/dbraw/zinc/53/13/60/639531360.db2.gz KADDJROOWDRJDY-QMMMGPOBSA-N 1 0 303.156 2.482 10 5 DEBERO CN(c1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[NH2+]C1 ZINC000071311622 649075790 /nfs/dbraw/zinc/07/57/90/649075790.db2.gz CMHNFYIPOGEKIM-VIFPVBQESA-N 1 0 300.156 2.155 10 5 DEBERO C[C@@H](O)CC[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162188419 197550715 /nfs/dbraw/zinc/55/07/15/197550715.db2.gz YCVVBRHFKXONMO-MRVPVSSYSA-N 1 0 303.156 2.218 10 5 DEBERO CCC[NH2+][C@@H](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942379 192344501 /nfs/dbraw/zinc/34/45/01/192344501.db2.gz GMFQNSZDTGZEOW-NSHDSACASA-N 1 0 300.380 2.147 10 5 DEBERO CC[NH2+][C@H]1CCCC[C@H]1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942770 192344585 /nfs/dbraw/zinc/34/45/85/192344585.db2.gz ILTVPQMRGQCZBM-WCQYABFASA-N 1 0 312.391 2.289 10 5 DEBERO C[C@H](O)[C@](C)(C[NH3+])Cc1ccc([N+](=O)[O-])cc1Br ZINC000087932026 185237561 /nfs/dbraw/zinc/23/75/61/185237561.db2.gz AHQISIYMHVRSFZ-UFBFGSQYSA-N 1 0 317.183 2.246 10 5 DEBERO C[C@H](CO)C[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000088194995 185241389 /nfs/dbraw/zinc/24/13/89/185241389.db2.gz OJXNAGDUHSVKCB-QMMMGPOBSA-N 1 0 303.156 2.075 10 5 DEBERO CCC[NH+]1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000177809789 282208802 /nfs/dbraw/zinc/20/88/02/282208802.db2.gz RRQGPRIYNOLFLH-UHFFFAOYSA-N 1 0 321.377 2.222 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183204827 199554844 /nfs/dbraw/zinc/55/48/44/199554844.db2.gz ZTQXWJCEQOKEMH-WFASDCNBSA-N 1 0 321.377 2.389 10 5 DEBERO CCCC[C@H](C[NH3+])NC(=O)c1c(F)ccc([N+](=O)[O-])c1F ZINC000150251872 186056277 /nfs/dbraw/zinc/05/62/77/186056277.db2.gz NQWABGFHUBBOKV-MRVPVSSYSA-N 1 0 301.293 2.120 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000155723736 186107010 /nfs/dbraw/zinc/10/70/10/186107010.db2.gz TXVKWEBCGRILIR-BBRMVZONSA-N 1 0 317.389 2.460 10 5 DEBERO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000188001552 186241896 /nfs/dbraw/zinc/24/18/96/186241896.db2.gz MCBXWCNOHXVTTI-BLLLJJGKSA-N 1 0 321.377 2.016 10 5 DEBERO C[NH+](C)C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000172179508 198053424 /nfs/dbraw/zinc/05/34/24/198053424.db2.gz XTWKVMTYTOAUNY-CYBMUJFWSA-N 1 0 313.785 2.011 10 5 DEBERO CCc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000174199606 198304354 /nfs/dbraw/zinc/30/43/54/198304354.db2.gz PNVURDQNMUKMAB-CQSZACIVSA-N 1 0 303.362 2.077 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000175004565 198414516 /nfs/dbraw/zinc/41/45/16/198414516.db2.gz HFTKIQDESIAPBO-GDBMZVCRSA-N 1 0 317.389 2.223 10 5 DEBERO COC(=O)c1cc(N(C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000092668237 355645013 /nfs/dbraw/zinc/64/50/13/355645013.db2.gz MJALJACLGBHOED-RISCZKNCSA-N 1 0 321.377 2.158 10 5 DEBERO C[C@@H]([NH3+])C[C@@H](C)Nc1c(Br)cncc1[N+](=O)[O-] ZINC000320915833 356447997 /nfs/dbraw/zinc/44/79/97/356447997.db2.gz RHPDVCRLNYCWQC-RNFRBKRXSA-N 1 0 303.160 2.290 10 5 DEBERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccccc1 ZINC000180183682 199127690 /nfs/dbraw/zinc/12/76/90/199127690.db2.gz XNDNCMHERAKZEM-DOMZBBRYSA-N 1 0 315.329 2.363 10 5 DEBERO C[C@@H]1CC[C@@](CO)([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000187939845 200179997 /nfs/dbraw/zinc/17/99/97/200179997.db2.gz IAPMALIKWOIWSF-CZUORRHYSA-N 1 0 308.378 2.457 10 5 DEBERO C[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000600961053 359873241 /nfs/dbraw/zinc/87/32/41/359873241.db2.gz KVTGYBFIGGZZKW-DTWKUNHWSA-N 1 0 314.183 2.388 10 5 DEBERO COc1ccc(OCC[N@@H+]2CC[C@H](C)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000189259145 200371166 /nfs/dbraw/zinc/37/11/66/200371166.db2.gz MDYGKUPAFKEGCM-LRDDRELGSA-N 1 0 324.377 2.339 10 5 DEBERO C[C@](O)(C[NH2+]C1CC1)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000090823441 192937638 /nfs/dbraw/zinc/93/76/38/192937638.db2.gz MXUFJUHMJRSTEE-ZDUSSCGKSA-N 1 0 300.742 2.130 10 5 DEBERO [NH3+][C@@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000093434267 193250814 /nfs/dbraw/zinc/25/08/14/193250814.db2.gz CYJMAVGVBWOFEO-ZJUUUORDSA-N 1 0 315.171 2.434 10 5 DEBERO C[NH2+][C@@]1(C(N)=O)CCC[C@@H](Sc2ccccc2[N+](=O)[O-])C1 ZINC000093776259 193305288 /nfs/dbraw/zinc/30/52/88/193305288.db2.gz QIUGJTYDAWKVCW-YGRLFVJLSA-N 1 0 309.391 2.073 10 5 DEBERO CCC[C@@H](C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000094157159 193347170 /nfs/dbraw/zinc/34/71/70/193347170.db2.gz KRWXPKFLKCXXMY-ZDUSSCGKSA-N 1 0 323.349 2.050 10 5 DEBERO O=C(C[NH2+]C1CC1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094188616 193347805 /nfs/dbraw/zinc/34/78/05/193347805.db2.gz BFKJQDAKHVOJKD-UHFFFAOYSA-N 1 0 314.139 2.048 10 5 DEBERO C[NH2+]C[C@H](C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094188541 193347871 /nfs/dbraw/zinc/34/78/71/193347871.db2.gz CHQIGHXLJWUPCQ-ZETCQYMHSA-N 1 0 316.155 2.151 10 5 DEBERO CC[N@@H+]1CC[C@@H](N(C)c2nc3sccn3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000266202285 205180130 /nfs/dbraw/zinc/18/01/30/205180130.db2.gz DQHDGSVSSYOURK-WDEREUQCSA-N 1 0 323.422 2.471 10 5 DEBERO C[NH2+]CCCC(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159459082 197354917 /nfs/dbraw/zinc/35/49/17/197354917.db2.gz QKIMGSZRBOEHCD-UHFFFAOYSA-N 1 0 316.155 2.295 10 5 DEBERO CC[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000105836998 194143590 /nfs/dbraw/zinc/14/35/90/194143590.db2.gz PHCNQYJZIXLMBY-INIZCTEOSA-N 1 0 321.421 2.180 10 5 DEBERO CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2C)CC[N@@H+]1CCOC ZINC000106113830 194187583 /nfs/dbraw/zinc/18/75/83/194187583.db2.gz JPBLHUCLEFTUIR-INIZCTEOSA-N 1 0 321.421 2.446 10 5 DEBERO O=C(NCC[C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000110792101 194359349 /nfs/dbraw/zinc/35/93/49/194359349.db2.gz CBXDMNROEAJZBV-SNVBAGLBSA-N 1 0 311.769 2.368 10 5 DEBERO Cc1ccc(OCc2[nH+]c(NN)ccc2Cl)c([N+](=O)[O-])n1 ZINC000061639441 184180507 /nfs/dbraw/zinc/18/05/07/184180507.db2.gz BJJTYKYKIKLMMP-UHFFFAOYSA-N 1 0 309.713 2.211 10 5 DEBERO O=[N+]([O-])c1c(Cl)ncnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062983392 184264281 /nfs/dbraw/zinc/26/42/81/184264281.db2.gz JZSPSCNVSZMWGK-SNVBAGLBSA-N 1 0 311.773 2.103 10 5 DEBERO [NH3+]C[C@@H](Nc1ccc([N+](=O)[O-])c2nonc21)C1CCCCC1 ZINC000262305760 145275332 /nfs/dbraw/zinc/27/53/32/145275332.db2.gz PDWMGHXINOYXBE-LLVKDONJSA-N 1 0 305.338 2.451 10 5 DEBERO CC1(C)CCC[NH2+][C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000262432529 145283556 /nfs/dbraw/zinc/28/35/56/145283556.db2.gz GAYCXTLMYONOHW-ZDUSSCGKSA-N 1 0 306.366 2.495 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000073997238 401727509 /nfs/dbraw/zinc/72/75/09/401727509.db2.gz AMXYQSLLNXPRLY-OCCSQVGLSA-N 1 0 303.362 2.212 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000113367155 401777528 /nfs/dbraw/zinc/77/75/28/401777528.db2.gz GLDCXNXZWKMAPS-BXUZGUMPSA-N 1 0 304.350 2.295 10 5 DEBERO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037916638 401918292 /nfs/dbraw/zinc/91/82/92/401918292.db2.gz QBKNSBUGQUCICB-ZYHUDNBSSA-N 1 0 309.391 2.261 10 5 DEBERO C[C@@H]1C[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])CCN1C ZINC000123355981 402123201 /nfs/dbraw/zinc/12/32/01/402123201.db2.gz MLCXINTVJOKMAM-ZIAGYGMSSA-N 1 0 307.394 2.388 10 5 DEBERO CC(C)C[C@H](CO)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000185330168 402343704 /nfs/dbraw/zinc/34/37/04/402343704.db2.gz WUTCUXPSOJAXNA-OAHLLOKOSA-N 1 0 324.377 2.300 10 5 DEBERO CC(C)(NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000162240800 402414357 /nfs/dbraw/zinc/41/43/57/402414357.db2.gz BZIJQEQTBLLPKZ-AAEUAGOBSA-N 1 0 305.378 2.464 10 5 DEBERO C[C@@H]1CC[C@](CO)([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000187987859 402514896 /nfs/dbraw/zinc/51/48/96/402514896.db2.gz NTQPQXZUJPETRD-CJNGLKHVSA-N 1 0 308.378 2.457 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1CN1CCNC(=O)[C@H]1CC(C)C ZINC000188922785 402527862 /nfs/dbraw/zinc/52/78/62/402527862.db2.gz FNCJVOVHNNPTLY-OAHLLOKOSA-N 1 0 305.378 2.250 10 5 DEBERO C[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000170831858 402531100 /nfs/dbraw/zinc/53/11/00/402531100.db2.gz JEVKZEWEUDFTIA-SMDDNHRTSA-N 1 0 306.366 2.001 10 5 DEBERO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173380149 402694789 /nfs/dbraw/zinc/69/47/89/402694789.db2.gz BLUYYMKKNWTTJE-CJNGLKHVSA-N 1 0 307.394 2.356 10 5 DEBERO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173380182 402695044 /nfs/dbraw/zinc/69/50/44/402695044.db2.gz BLUYYMKKNWTTJE-CZUORRHYSA-N 1 0 307.394 2.356 10 5 DEBERO O=[N+]([O-])c1cnn(CC[N@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000174876474 402761223 /nfs/dbraw/zinc/76/12/23/402761223.db2.gz PCQZYHUAHUHVCV-OAHLLOKOSA-N 1 0 308.382 2.215 10 5 DEBERO Cc1sc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000299131468 403529904 /nfs/dbraw/zinc/52/99/04/403529904.db2.gz ZFNSJZRWGUHBJL-WDEREUQCSA-N 1 0 309.391 2.321 10 5 DEBERO Cc1sc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000299131435 403530071 /nfs/dbraw/zinc/53/00/71/403530071.db2.gz ZFNSJZRWGUHBJL-GHMZBOCLSA-N 1 0 309.391 2.321 10 5 DEBERO C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000407992503 405084840 /nfs/dbraw/zinc/08/48/40/405084840.db2.gz FKIYWDDGTMBBLK-GFCCVEGCSA-N 1 0 322.361 2.070 10 5 DEBERO Cc1cc(F)cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000129644524 196065033 /nfs/dbraw/zinc/06/50/33/196065033.db2.gz WFAQENJIGWSQLB-FOSCPWQOSA-N 1 0 307.325 2.055 10 5 DEBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000273257269 275399991 /nfs/dbraw/zinc/39/99/91/275399991.db2.gz BLMUDKOWHQWFAE-VAWYXSNFSA-N 1 0 303.362 2.209 10 5 DEBERO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000247517007 525449103 /nfs/dbraw/zinc/44/91/03/525449103.db2.gz YVCMWBZVPUEPPU-SMDDNHRTSA-N 1 0 321.377 2.062 10 5 DEBERO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000188844473 526610674 /nfs/dbraw/zinc/61/06/74/526610674.db2.gz KNBVYIDOFALGJC-UHFFFAOYSA-N 1 0 309.753 2.168 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000177163584 625867349 /nfs/dbraw/zinc/86/73/49/625867349.db2.gz WZMYMIZAHRZVQA-OAHLLOKOSA-N 1 0 317.393 2.318 10 5 DEBERO C[C@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261543227 635890402 /nfs/dbraw/zinc/89/04/02/635890402.db2.gz RWCVPBONLKSRHC-IONNQARKSA-N 1 0 300.156 2.141 10 5 DEBERO C[C@@H]1C[C@@H](N(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000246366386 685128632 /nfs/dbraw/zinc/12/86/32/685128632.db2.gz XYWVZIWRVQZZHJ-IVMMDQJWSA-N 1 0 307.394 2.043 10 5 DEBERO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C1(CO)CCC1 ZINC000162236219 197554081 /nfs/dbraw/zinc/55/40/81/197554081.db2.gz YGISXIFGNYZCLA-UHFFFAOYSA-N 1 0 315.167 2.362 10 5 DEBERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1Nc1ccc2scnc2c1[N+](=O)[O-] ZINC000090313925 185290648 /nfs/dbraw/zinc/29/06/48/185290648.db2.gz SUOUGKRXGOSZGY-ZOFUNIGCSA-N 1 0 308.363 2.121 10 5 DEBERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000090699880 185310338 /nfs/dbraw/zinc/31/03/38/185310338.db2.gz KSSWEZSFWYHCJS-CQSZACIVSA-N 1 0 323.418 2.104 10 5 DEBERO Cc1cc(N[C@H]2CCC(=O)N(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181505549 199307920 /nfs/dbraw/zinc/30/79/20/199307920.db2.gz HLCPEXNRCHJGKH-NSHDSACASA-N 1 0 314.345 2.484 10 5 DEBERO C[NH2+][C@@H](C)CCCCS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000083984773 192394117 /nfs/dbraw/zinc/39/41/17/192394117.db2.gz ZHESSEBCGADWEM-NSHDSACASA-N 1 0 300.380 2.147 10 5 DEBERO O=[N+]([O-])c1cccc(Br)c1OCC[NH2+]C1CC1 ZINC000133577760 185996137 /nfs/dbraw/zinc/99/61/37/185996137.db2.gz BXAZZBKLEMDFIJ-UHFFFAOYSA-N 1 0 301.140 2.488 10 5 DEBERO CSCC[C@H]([NH3+])C(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000147507052 186040405 /nfs/dbraw/zinc/04/04/05/186040405.db2.gz KTEUTICCHLFNID-GWCFXTLKSA-N 1 0 311.407 2.195 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000177372963 198712510 /nfs/dbraw/zinc/71/25/10/198712510.db2.gz UEZGIWXXDJSLLZ-AWEZNQCLSA-N 1 0 320.393 2.221 10 5 DEBERO CCOCC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000248691632 356323886 /nfs/dbraw/zinc/32/38/86/356323886.db2.gz XXUKLYBNDNRNJX-OAHLLOKOSA-N 1 0 321.421 2.446 10 5 DEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@]1(O)CCOC1 ZINC000593670215 358119939 /nfs/dbraw/zinc/11/99/39/358119939.db2.gz GIAFNHJQNPNZOU-RCBBPTIPSA-N 1 0 306.362 2.129 10 5 DEBERO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC000611615669 361645844 /nfs/dbraw/zinc/64/58/44/361645844.db2.gz ZXUVBOPGSLRGAW-CQSZACIVSA-N 1 0 322.409 2.375 10 5 DEBERO [NH3+][C@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000093434265 193250454 /nfs/dbraw/zinc/25/04/54/193250454.db2.gz CYJMAVGVBWOFEO-UWVGGRQHSA-N 1 0 315.171 2.434 10 5 DEBERO C[NH2+]C(C)(C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094188589 193348144 /nfs/dbraw/zinc/34/81/44/193348144.db2.gz BYEGVEVMLIAOAQ-UHFFFAOYSA-N 1 0 316.155 2.294 10 5 DEBERO C[NH+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000266407622 205324784 /nfs/dbraw/zinc/32/47/84/205324784.db2.gz QCDSSDLGKVMLBJ-SNVBAGLBSA-N 1 0 301.293 2.337 10 5 DEBERO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000105882996 194155788 /nfs/dbraw/zinc/15/57/88/194155788.db2.gz QQHBNZXQZFZKNK-AWEZNQCLSA-N 1 0 301.350 2.099 10 5 DEBERO Cc1c(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cccc1[N+](=O)[O-] ZINC000105884140 194157575 /nfs/dbraw/zinc/15/75/75/194157575.db2.gz YVBGXUIBSGMMCR-CQSZACIVSA-N 1 0 315.377 2.407 10 5 DEBERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010149 194381826 /nfs/dbraw/zinc/38/18/26/194381826.db2.gz WHDRDDMCSULFCK-PBINXNQUSA-N 1 0 309.753 2.343 10 5 DEBERO CCN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000111010481 194381981 /nfs/dbraw/zinc/38/19/81/194381981.db2.gz NCPMKSKWPIHSGA-JTQLQIEISA-N 1 0 311.769 2.462 10 5 DEBERO O=[N+]([O-])c1ccc(N2CCC([C@H]3CCC[NH2+]3)CC2)c2nonc21 ZINC000261786612 285120791 /nfs/dbraw/zinc/12/07/91/285120791.db2.gz SNOHIPQVYIIBKY-LLVKDONJSA-N 1 0 317.349 2.099 10 5 DEBERO O=[N+]([O-])c1ccc2[nH]c(N3CC[N@@H+]4CCCC[C@H]4C3)nc2c1 ZINC000277356379 285140828 /nfs/dbraw/zinc/14/08/28/285140828.db2.gz AQTXCMFBQUQUNG-LBPRGKRZSA-N 1 0 301.350 2.146 10 5 DEBERO C[C@@H]([NH3+])[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)CCO1 ZINC000156550940 197122508 /nfs/dbraw/zinc/12/25/08/197122508.db2.gz PYHIGSXYHPQFJU-PELKAZGASA-N 1 0 301.293 2.085 10 5 DEBERO CC(C)[N@H+]1C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000155288794 197040939 /nfs/dbraw/zinc/04/09/39/197040939.db2.gz RHRQVZYFGHOYJC-BBRMVZONSA-N 1 0 319.405 2.372 10 5 DEBERO Cc1cc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc([N+](=O)[O-])c1 ZINC000186502009 144983859 /nfs/dbraw/zinc/98/38/59/144983859.db2.gz MTYFBYGUMSJIIG-CYBMUJFWSA-N 1 0 303.362 2.260 10 5 DEBERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cc(F)ccc1[N+](=O)[O-] ZINC000188675209 145015920 /nfs/dbraw/zinc/01/59/20/145015920.db2.gz AEJUZXQZFJBVCE-UHFFFAOYSA-N 1 0 315.304 2.267 10 5 DEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246763043 145113459 /nfs/dbraw/zinc/11/34/59/145113459.db2.gz LIVRNYWKMMMLMQ-BBRMVZONSA-N 1 0 319.405 2.326 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000246896253 145118725 /nfs/dbraw/zinc/11/87/25/145118725.db2.gz HFTKIQDESIAPBO-ZBFHGGJFSA-N 1 0 317.389 2.223 10 5 DEBERO CC1(C)CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000261694650 145217657 /nfs/dbraw/zinc/21/76/57/145217657.db2.gz NRKWVJFCHGJHGO-LBPRGKRZSA-N 1 0 311.769 2.448 10 5 DEBERO COc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1[N+](=O)[O-] ZINC000261906575 145239843 /nfs/dbraw/zinc/23/98/43/145239843.db2.gz PNJJSDUEVFFVDX-WXHSDQCUSA-N 1 0 319.361 2.463 10 5 DEBERO CC1(C)CCC[NH2+][C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000262432528 145283456 /nfs/dbraw/zinc/28/34/56/145283456.db2.gz GAYCXTLMYONOHW-CYBMUJFWSA-N 1 0 306.366 2.495 10 5 DEBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000262560295 145292989 /nfs/dbraw/zinc/29/29/89/145292989.db2.gz VEYGOBJNNKVYBF-CQSZACIVSA-N 1 0 305.378 2.331 10 5 DEBERO Cc1cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc([N+](=O)[O-])c1 ZINC000148846518 401992073 /nfs/dbraw/zinc/99/20/73/401992073.db2.gz NVHHKTBIRNNJKY-UHFFFAOYSA-N 1 0 303.362 2.214 10 5 DEBERO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000124052037 402161131 /nfs/dbraw/zinc/16/11/31/402161131.db2.gz RZMLCRVSQSGBBN-YPMHNXCESA-N 1 0 321.377 2.158 10 5 DEBERO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000070198806 402258774 /nfs/dbraw/zinc/25/87/74/402258774.db2.gz CVFNZZSLQLLIHZ-LLVKDONJSA-N 1 0 309.753 2.168 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000177022205 402360493 /nfs/dbraw/zinc/36/04/93/402360493.db2.gz UMFKXGCZKHSAES-AWEZNQCLSA-N 1 0 305.378 2.460 10 5 DEBERO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[N@@H+](C2CC2)CC1 ZINC000177469361 402406171 /nfs/dbraw/zinc/40/61/71/402406171.db2.gz OUEZPSSWPVPJOD-UHFFFAOYSA-N 1 0 307.325 2.044 10 5 DEBERO C[NH2+]C1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237078728 402394378 /nfs/dbraw/zinc/39/43/78/402394378.db2.gz HTUZFNGEGJJAIY-LLVKDONJSA-N 1 0 323.418 2.286 10 5 DEBERO Cc1ccc([C@@H](C)[NH2+]C2CCN(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000165972982 402480676 /nfs/dbraw/zinc/48/06/76/402480676.db2.gz NOHZDJPQVBLDEV-LLVKDONJSA-N 1 0 306.366 2.097 10 5 DEBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C(N)=O)co1 ZINC000187715411 402508993 /nfs/dbraw/zinc/50/89/93/402508993.db2.gz BFLKNUJZDSCIEG-LLVKDONJSA-N 1 0 317.345 2.398 10 5 DEBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000250145189 402645720 /nfs/dbraw/zinc/64/57/20/402645720.db2.gz ZQYMDRMVTBFOSQ-UHIISALHSA-N 1 0 323.418 2.190 10 5 DEBERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000191300432 402659189 /nfs/dbraw/zinc/65/91/89/402659189.db2.gz WQUHQLXFWSOXPP-ZDUSSCGKSA-N 1 0 321.377 2.126 10 5 DEBERO C[N@H+](CCO)C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000272151753 402903490 /nfs/dbraw/zinc/90/34/90/402903490.db2.gz CPCXNHPNCCEOSF-UHFFFAOYSA-N 1 0 313.785 2.141 10 5 DEBERO Cc1cc(NC[C@@H](c2cnn(C)c2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301288710 403611586 /nfs/dbraw/zinc/61/15/86/403611586.db2.gz NZNASYBKBQQSNW-HNNXBMFYSA-N 1 0 303.366 2.352 10 5 DEBERO C[C@H]1C[C@H]([NH3+])CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000132147872 196230154 /nfs/dbraw/zinc/23/01/54/196230154.db2.gz NLBGTICGRTZMEA-JGVFFNPUSA-N 1 0 315.171 2.068 10 5 DEBERO C[C@H]1C[NH2+]C[C@H](COc2ccc([N+](=O)[O-])cc2C(F)F)O1 ZINC000133765809 196334553 /nfs/dbraw/zinc/33/45/53/196334553.db2.gz HEIKCZVQMCNQPA-WCBMZHEXSA-N 1 0 302.277 2.288 10 5 DEBERO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000089710350 296912227 /nfs/dbraw/zinc/91/22/27/296912227.db2.gz ORCNNRBEEHXDEQ-NOZJJQNGSA-N 1 0 311.769 2.270 10 5 DEBERO C[NH+](C)CC1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301973371 230013255 /nfs/dbraw/zinc/01/32/55/230013255.db2.gz UWFBWKDYNYKNEH-UHFFFAOYSA-N 1 0 318.381 2.170 10 5 DEBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000302120218 274004198 /nfs/dbraw/zinc/00/41/98/274004198.db2.gz XRDMNTKGWHGHAQ-CYBMUJFWSA-N 1 0 319.361 2.056 10 5 DEBERO CO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000262032198 274064540 /nfs/dbraw/zinc/06/45/40/274064540.db2.gz XGUBWURDRDECOR-VXGBXAGGSA-N 1 0 313.785 2.186 10 5 DEBERO CC(C)c1ccc(CN2CCO[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000128216452 275739627 /nfs/dbraw/zinc/73/96/27/275739627.db2.gz DRSDJQNALKPULE-HNNXBMFYSA-N 1 0 321.421 2.481 10 5 DEBERO C[N@@H+]1CCC[C@@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@@H]21 ZINC000278170434 277070433 /nfs/dbraw/zinc/07/04/33/277070433.db2.gz AYNSYDVLRVVFDF-ABAIWWIYSA-N 1 0 315.377 2.392 10 5 DEBERO CO[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000167326722 277292737 /nfs/dbraw/zinc/29/27/37/277292737.db2.gz AXOHOVWVERAHRU-NWDGAFQWSA-N 1 0 313.785 2.186 10 5 DEBERO CO[C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000167342819 277744068 /nfs/dbraw/zinc/74/40/68/277744068.db2.gz QMHSQKVBVYVILP-STQMWFEESA-N 1 0 313.785 2.186 10 5 DEBERO COC[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000234688739 624712306 /nfs/dbraw/zinc/71/23/06/624712306.db2.gz UEDCKKZRVOOEJF-MRVPVSSYSA-N 1 0 303.156 2.482 10 5 DEBERO COC[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000234696872 624713992 /nfs/dbraw/zinc/71/39/92/624713992.db2.gz UEDCKKZRVOOEJF-QMMMGPOBSA-N 1 0 303.156 2.482 10 5 DEBERO Cc1cc(F)cc(C(=O)N2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000176744242 625052361 /nfs/dbraw/zinc/05/23/61/625052361.db2.gz WLYYJZHVDLWDHY-UHFFFAOYSA-N 1 0 309.341 2.209 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000177163606 625867708 /nfs/dbraw/zinc/86/77/08/625867708.db2.gz WZMYMIZAHRZVQA-HNNXBMFYSA-N 1 0 317.393 2.318 10 5 DEBERO COc1ccccc1C[C@@H]1CCCN1Cn1cc([N+](=O)[O-])cn1 ZINC000069690145 648731329 /nfs/dbraw/zinc/73/13/29/648731329.db2.gz RCKLJZALUZKGHD-AWEZNQCLSA-N 1 0 316.361 2.465 10 5 DEBERO CC(C)O[C@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCOC1 ZINC000722358100 778651841 /nfs/dbraw/zinc/65/18/41/778651841.db2.gz SRXDXMOATBKTNM-ZDUSSCGKSA-N 1 0 300.380 2.330 10 5 DEBERO CC[NH2+][C@H]1CCCC[C@@H]1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942762 192343587 /nfs/dbraw/zinc/34/35/87/192343587.db2.gz ILTVPQMRGQCZBM-AAEUAGOBSA-N 1 0 312.391 2.289 10 5 DEBERO C[NH2+][C@@H]1CCCCC[C@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942314 192343891 /nfs/dbraw/zinc/34/38/91/192343891.db2.gz JRXSKSOPNWOGLL-ZIAGYGMSSA-N 1 0 312.391 2.289 10 5 DEBERO CCC[NH2+][C@@H]1CCC[C@@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081941935 192344145 /nfs/dbraw/zinc/34/41/45/192344145.db2.gz FPFNQRNEBQLDRX-KGLIPLIRSA-N 1 0 312.391 2.289 10 5 DEBERO C[NH2+]CCc1nnc(-c2cc(F)c(F)cc2[N+](=O)[O-])s1 ZINC000088822641 185266549 /nfs/dbraw/zinc/26/65/49/185266549.db2.gz MZSMIMYDKPGLAO-UHFFFAOYSA-N 1 0 300.290 2.153 10 5 DEBERO CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1Nc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000090313339 185290679 /nfs/dbraw/zinc/29/06/79/185290679.db2.gz DGTFJRVHZFRYID-FXAINCCUSA-N 1 0 303.721 2.304 10 5 DEBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000090549643 185302316 /nfs/dbraw/zinc/30/23/16/185302316.db2.gz URPSHOLFWHHNKZ-ZDUSSCGKSA-N 1 0 303.318 2.187 10 5 DEBERO C[C@@H](O)c1cc([N+](=O)[O-])c(N2CCC(C[NH+](C)C)CC2)s1 ZINC000167484745 197709474 /nfs/dbraw/zinc/70/94/74/197709474.db2.gz DBKTUYVUMHHNMM-SNVBAGLBSA-N 1 0 313.423 2.488 10 5 DEBERO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc([N+](=O)[O-])c1 ZINC000181528118 199311573 /nfs/dbraw/zinc/31/15/73/199311573.db2.gz ZHJMYJCSKBUXKB-CYBMUJFWSA-N 1 0 319.321 2.440 10 5 DEBERO [NH3+]CC1(Nc2ncc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000111833462 185640542 /nfs/dbraw/zinc/64/05/42/185640542.db2.gz SVLOTSYXTAFMLO-UHFFFAOYSA-N 1 0 315.171 2.436 10 5 DEBERO CC(C)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123572834 185821163 /nfs/dbraw/zinc/82/11/63/185821163.db2.gz DHDWRWIBLSRYNK-NSHDSACASA-N 1 0 302.758 2.234 10 5 DEBERO CC1(C[NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)COC1 ZINC000083522994 192372015 /nfs/dbraw/zinc/37/20/15/192372015.db2.gz PKCWOAMSFRGUAX-UHFFFAOYSA-N 1 0 315.167 2.483 10 5 DEBERO Cc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000171885414 198001340 /nfs/dbraw/zinc/00/13/40/198001340.db2.gz BCRPVLVLDKSYIX-CYBMUJFWSA-N 1 0 304.350 2.215 10 5 DEBERO CCc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000174235986 198308802 /nfs/dbraw/zinc/30/88/02/198308802.db2.gz YVFRLMLMERPYRB-WFASDCNBSA-N 1 0 317.389 2.466 10 5 DEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183146771 356161434 /nfs/dbraw/zinc/16/14/34/356161434.db2.gz MPEBQLVINOMYGZ-LBPRGKRZSA-N 1 0 320.393 2.293 10 5 DEBERO C[C@@H]1CC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C[NH2+]1 ZINC000600955300 359869882 /nfs/dbraw/zinc/86/98/82/359869882.db2.gz LYGBVAGFPFSDPT-APPZFPTMSA-N 1 0 315.171 2.305 10 5 DEBERO C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000611407577 361593796 /nfs/dbraw/zinc/59/37/96/361593796.db2.gz JGVLDJNZUGPUSY-LLVKDONJSA-N 1 0 300.380 2.070 10 5 DEBERO O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000091134865 193001996 /nfs/dbraw/zinc/00/19/96/193001996.db2.gz VFDNYXYZMZABCB-MRVPVSSYSA-N 1 0 315.782 2.282 10 5 DEBERO COC(=O)[C@@]1([NH3+])CC[C@@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000093847804 193317288 /nfs/dbraw/zinc/31/72/88/193317288.db2.gz FQBFBYUFKSKTET-NOZJJQNGSA-N 1 0 314.725 2.050 10 5 DEBERO CC[C@@H]([NH3+])C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094188669 193347614 /nfs/dbraw/zinc/34/76/14/193347614.db2.gz MUGHJRXQKNDRLL-MRVPVSSYSA-N 1 0 302.128 2.033 10 5 DEBERO O=C(c1ccc2nc3ccccc3nc2c1)N1CCC[NH2+]CC1 ZINC000096573925 193680834 /nfs/dbraw/zinc/68/08/34/193680834.db2.gz OOTMIEDSSPVCTD-UHFFFAOYSA-N 1 0 306.369 2.219 10 5 DEBERO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000036268551 182812097 /nfs/dbraw/zinc/81/20/97/182812097.db2.gz KLHMZEXHBBWCEW-QPUJVOFHSA-N 1 0 312.167 2.155 10 5 DEBERO CCC[NH2+][C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301193 183351966 /nfs/dbraw/zinc/35/19/66/183351966.db2.gz BKMAIQVMUAVFBS-TZMCWYRMSA-N 1 0 312.391 2.070 10 5 DEBERO C[C@H]([NH3+])CCC(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159442607 197354684 /nfs/dbraw/zinc/35/46/84/197354684.db2.gz JNAONSHUKSMABG-ZETCQYMHSA-N 1 0 316.155 2.423 10 5 DEBERO C[NH2+]C[C@H]1CCCCN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010326 194382211 /nfs/dbraw/zinc/38/22/11/194382211.db2.gz MLAOSOGZABGGEL-SNVBAGLBSA-N 1 0 311.769 2.462 10 5 DEBERO CC[NH2+]CCOc1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000158809560 197303004 /nfs/dbraw/zinc/30/30/04/197303004.db2.gz IGAKDJMOVKBGJW-UHFFFAOYSA-N 1 0 307.119 2.485 10 5 DEBERO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000157061118 197158805 /nfs/dbraw/zinc/15/88/05/197158805.db2.gz UTXZUCIFQQVWMC-RNFRBKRXSA-N 1 0 316.155 2.279 10 5 DEBERO CC1=CC[N@H+](CCNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000545151214 285392051 /nfs/dbraw/zinc/39/20/51/285392051.db2.gz FTVUNJZPUSCBSD-UHFFFAOYSA-N 1 0 318.377 2.046 10 5 DEBERO COc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000194450884 533394254 /nfs/dbraw/zinc/39/42/54/533394254.db2.gz LFJLUEDZGQLTLD-RYUDHWBXSA-N 1 0 321.377 2.158 10 5 DEBERO Cc1cc(NC[C@@H](CO)C2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000357786234 133099843 /nfs/dbraw/zinc/09/98/43/133099843.db2.gz UFJBGJYOZAVERX-LBPRGKRZSA-N 1 0 301.346 2.304 10 5 DEBERO CO[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000252009438 145198365 /nfs/dbraw/zinc/19/83/65/145198365.db2.gz XLOXUVINRUFYIV-SLEUVZQESA-N 1 0 321.377 2.279 10 5 DEBERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255397012 145204380 /nfs/dbraw/zinc/20/43/80/145204380.db2.gz CQUNVCSPUQRJOQ-UDGJJRABSA-N 1 0 303.362 2.194 10 5 DEBERO COc1ccc(OCCN2CC[C@@H]([NH3+])C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000261918153 145241495 /nfs/dbraw/zinc/24/14/95/145241495.db2.gz YIYCTCDLAFNTQV-OAHLLOKOSA-N 1 0 323.393 2.041 10 5 DEBERO CC(C)c1ccc(CN2CCO[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000128216221 401767797 /nfs/dbraw/zinc/76/77/97/401767797.db2.gz DRSDJQNALKPULE-OAHLLOKOSA-N 1 0 321.421 2.481 10 5 DEBERO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000077421648 401814445 /nfs/dbraw/zinc/81/44/45/401814445.db2.gz FFTFHYGUIQPXCE-IUCAKERBSA-N 1 0 317.183 2.464 10 5 DEBERO COc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1F ZINC000090539764 401984769 /nfs/dbraw/zinc/98/47/69/401984769.db2.gz PMJXEONCTSQPIV-JTQLQIEISA-N 1 0 308.313 2.290 10 5 DEBERO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000051536370 402034722 /nfs/dbraw/zinc/03/47/22/402034722.db2.gz LAKQLDUCDCZXPG-CQSZACIVSA-N 1 0 304.350 2.297 10 5 DEBERO C[C@H]1C[C@H](N(C)C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000122930181 402102232 /nfs/dbraw/zinc/10/22/32/402102232.db2.gz ZVKRVFORJYWGOQ-GXTWGEPZSA-N 1 0 305.378 2.078 10 5 DEBERO Cc1c(CC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000123016010 402106017 /nfs/dbraw/zinc/10/60/17/402106017.db2.gz HGAAYSQVFFHTLX-WFASDCNBSA-N 1 0 317.389 2.141 10 5 DEBERO CC[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000107888889 402243255 /nfs/dbraw/zinc/24/32/55/402243255.db2.gz VAINQKINPLUNSQ-NSHDSACASA-N 1 0 316.361 2.148 10 5 DEBERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000071189288 402271037 /nfs/dbraw/zinc/27/10/37/402271037.db2.gz JQDDUMHPEJBOOA-SNVBAGLBSA-N 1 0 311.769 2.272 10 5 DEBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000184754779 402297612 /nfs/dbraw/zinc/29/76/12/402297612.db2.gz WYWIKKCGMMUWLV-GDBMZVCRSA-N 1 0 319.405 2.326 10 5 DEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000247531792 402571269 /nfs/dbraw/zinc/57/12/69/402571269.db2.gz XPCOQXHMRNGVRH-ZFWWWQNUSA-N 1 0 305.378 2.142 10 5 DEBERO CC[C@@H]([NH2+][C@H](C)C(=O)NCCCOC)c1cccc([N+](=O)[O-])c1 ZINC000178676033 402525352 /nfs/dbraw/zinc/52/53/52/402525352.db2.gz QOPAGCDKUNVXAZ-IUODEOHRSA-N 1 0 323.393 2.177 10 5 DEBERO CC[N@@H+]1CCC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000178689980 402526978 /nfs/dbraw/zinc/52/69/78/402526978.db2.gz ATEFVBIPSQRERQ-AWEZNQCLSA-N 1 0 305.378 2.046 10 5 DEBERO COc1ccc(OCC[NH+]2[C@H](C)CC(O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000191166151 402647098 /nfs/dbraw/zinc/64/70/98/402647098.db2.gz QOQBIRLXQDBKJY-VXGBXAGGSA-N 1 0 324.377 2.216 10 5 DEBERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cccc([N+](=O)[O-])c1 ZINC000191212947 402651357 /nfs/dbraw/zinc/65/13/57/402651357.db2.gz VNHQSSZZUKLUMT-YUELXQCFSA-N 1 0 304.346 2.368 10 5 DEBERO CCC[NH+]1CCC(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173367330 402694576 /nfs/dbraw/zinc/69/45/76/402694576.db2.gz SITIBISBFIBPHC-UHFFFAOYSA-N 1 0 319.405 2.376 10 5 DEBERO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000183204737 402746851 /nfs/dbraw/zinc/74/68/51/402746851.db2.gz XUQBDYMWFJZTNM-FZMZJTMJSA-N 1 0 307.350 2.081 10 5 DEBERO Cc1noc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000192978316 402759257 /nfs/dbraw/zinc/75/92/57/402759257.db2.gz CFBGTAZTPNXDPK-AWEZNQCLSA-N 1 0 302.334 2.496 10 5 DEBERO Cc1csc([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000174838391 402759539 /nfs/dbraw/zinc/75/95/39/402759539.db2.gz IJHVVNUQDZLABH-LBPRGKRZSA-N 1 0 321.406 2.436 10 5 DEBERO COC(=O)c1cnc(NCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000276570963 403187368 /nfs/dbraw/zinc/18/73/68/403187368.db2.gz NCBJZOAOIYUTNX-NSHDSACASA-N 1 0 322.365 2.063 10 5 DEBERO C[C@@H]1C[N@@H+](C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000301114186 403591409 /nfs/dbraw/zinc/59/14/09/403591409.db2.gz XUSXZFCEMYDJKH-CYBMUJFWSA-N 1 0 305.378 2.284 10 5 DEBERO CCC[N@@H+]1CCCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000301268389 403608334 /nfs/dbraw/zinc/60/83/34/403608334.db2.gz IUYUGXLRULONJA-UHFFFAOYSA-N 1 0 309.395 2.226 10 5 DEBERO C[C@@H](CCC[NH3+])Nc1c(Br)cncc1[N+](=O)[O-] ZINC000310191208 403967268 /nfs/dbraw/zinc/96/72/68/403967268.db2.gz QDDBYIRIDDVWEG-ZETCQYMHSA-N 1 0 303.160 2.292 10 5 DEBERO CC(C)C[C@H](C[NH3+])C(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-] ZINC000132551512 196265366 /nfs/dbraw/zinc/26/53/66/196265366.db2.gz VJVCXAKLPKWJSS-MRVPVSSYSA-N 1 0 301.293 2.433 10 5 DEBERO C[C@@H](CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC000133079094 196309863 /nfs/dbraw/zinc/30/98/63/196309863.db2.gz SZTMQSAXFZPTKQ-QMMMGPOBSA-N 1 0 303.156 2.218 10 5 DEBERO C[C@H]1C[NH2+]C[C@@H](COc2ccc([N+](=O)[O-])cc2C(F)F)O1 ZINC000133766193 196335441 /nfs/dbraw/zinc/33/54/41/196335441.db2.gz HEIKCZVQMCNQPA-WPRPVWTQSA-N 1 0 302.277 2.288 10 5 DEBERO C[C@H](C[C@@H]1COCC[NH2+]1)Nc1c(F)cc(F)cc1[N+](=O)[O-] ZINC000134113328 196362890 /nfs/dbraw/zinc/36/28/90/196362890.db2.gz QMKDCSYSAYTMOM-PSASIEDQSA-N 1 0 301.293 2.052 10 5 DEBERO CC[C@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000069143128 288067448 /nfs/dbraw/zinc/06/74/48/288067448.db2.gz ZLJRILMURRQOOA-OCCSQVGLSA-N 1 0 312.391 2.213 10 5 DEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000128904023 295254922 /nfs/dbraw/zinc/25/49/22/295254922.db2.gz IHCLWIYGFUCEBC-LBPRGKRZSA-N 1 0 323.393 2.310 10 5 DEBERO Cc1cc(N(C)[C@H](C)C[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000382981684 333181063 /nfs/dbraw/zinc/18/10/63/333181063.db2.gz VKBBWKFRFLMXHH-MRVPVSSYSA-N 1 0 302.172 2.449 10 5 DEBERO Cc1cccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000246731939 524207819 /nfs/dbraw/zinc/20/78/19/524207819.db2.gz APAOPNPTUWEDPC-TZMCWYRMSA-N 1 0 305.378 2.362 10 5 DEBERO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+]2CCC1CC2 ZINC000188841991 527246974 /nfs/dbraw/zinc/24/69/74/527246974.db2.gz XETJYLMNJURHHC-UHFFFAOYSA-N 1 0 323.780 2.097 10 5 DEBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000193200616 528292576 /nfs/dbraw/zinc/29/25/76/528292576.db2.gz BWYMODVFRFZESZ-AWEZNQCLSA-N 1 0 322.409 2.370 10 5 DEBERO CCOc1ccc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1[N+](=O)[O-] ZINC000261728596 535701802 /nfs/dbraw/zinc/70/18/02/535701802.db2.gz CSUKJYGSRITCPN-AWEZNQCLSA-N 1 0 321.377 2.193 10 5 DEBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1[NH3+] ZINC000235363242 635972613 /nfs/dbraw/zinc/97/26/13/635972613.db2.gz HERPKACUUBUIAF-XCBNKYQSSA-N 1 0 300.156 2.141 10 5 DEBERO C/C(=C/C(=O)N1CC[NH2+]C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752499469 639190742 /nfs/dbraw/zinc/19/07/42/639190742.db2.gz AEHUTGPCHNNJSN-BENRWUELSA-N 1 0 303.362 2.209 10 5 DEBERO C[C@H](CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[S@](C)=O ZINC000229797340 646702231 /nfs/dbraw/zinc/70/22/31/646702231.db2.gz IJRLURZTTFSUDN-HOGDKLEQSA-N 1 0 304.799 2.495 10 5 DEBERO CCC[NH+]1CCC(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000129115511 684176164 /nfs/dbraw/zinc/17/61/64/684176164.db2.gz HZPHODMMIDBUHD-UHFFFAOYSA-N 1 0 320.393 2.029 10 5 DEBERO CCC[NH2+][C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000081942355 192343909 /nfs/dbraw/zinc/34/39/09/192343909.db2.gz MXLBSCYIZOWZHF-AWEZNQCLSA-N 1 0 312.391 2.147 10 5 DEBERO CC(C)[NH2+]Cc1ncnn1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000088628994 185260586 /nfs/dbraw/zinc/26/05/86/185260586.db2.gz WJBORNPSDSGNSI-UHFFFAOYSA-N 1 0 309.757 2.386 10 5 DEBERO C[C@@H]1C[C@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000173216034 198197196 /nfs/dbraw/zinc/19/71/96/198197196.db2.gz KDRAGWUTIBYYMK-TZMCWYRMSA-N 1 0 305.378 2.078 10 5 DEBERO COc1ccc(OC)c([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000174811488 198388536 /nfs/dbraw/zinc/38/85/36/198388536.db2.gz PRJMVIIJTMTONM-LLVKDONJSA-N 1 0 320.349 2.159 10 5 DEBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236797632 202013852 /nfs/dbraw/zinc/01/38/52/202013852.db2.gz BGWNXAIFKJJBLW-UONOGXRCSA-N 1 0 305.378 2.459 10 5 DEBERO COc1ccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1F ZINC000181996959 356103466 /nfs/dbraw/zinc/10/34/66/356103466.db2.gz YVJLSNJWDPSMLD-JTQLQIEISA-N 1 0 308.313 2.290 10 5 DEBERO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183398843 356170996 /nfs/dbraw/zinc/17/09/96/356170996.db2.gz SKFAVXYALJGRJE-AWEZNQCLSA-N 1 0 305.378 2.203 10 5 DEBERO CC(C)([NH3+])c1ccc([N+](=O)[O-])cc1I ZINC000306250387 356403401 /nfs/dbraw/zinc/40/34/01/356403401.db2.gz RWOKLUHSHDCDKD-UHFFFAOYSA-N 1 0 306.103 2.393 10 5 DEBERO [NH3+]C1(c2ccc([N+](=O)[O-])cc2I)CC1 ZINC000306248079 356403916 /nfs/dbraw/zinc/40/39/16/356403916.db2.gz WVTDDCPJURZFKH-UHFFFAOYSA-N 1 0 304.087 2.147 10 5 DEBERO COC[C@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)OC ZINC000594954148 358367450 /nfs/dbraw/zinc/36/74/50/358367450.db2.gz CHNNMGCRRYVZCO-LBPRGKRZSA-N 1 0 302.758 2.389 10 5 DEBERO CCc1ccc(NC(=O)C[C@H]2CSCC[NH2+]2)cc1[N+](=O)[O-] ZINC000091135297 193001063 /nfs/dbraw/zinc/00/10/63/193001063.db2.gz HDUYPRXLAASXAX-LBPRGKRZSA-N 1 0 309.391 2.191 10 5 DEBERO C[NH2+]C[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000092133611 193166828 /nfs/dbraw/zinc/16/68/28/193166828.db2.gz LPDXEKWDFNSYRV-ZETCQYMHSA-N 1 0 316.155 2.151 10 5 DEBERO [NH3+][C@@H]1CCCC[C@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000093434266 193250438 /nfs/dbraw/zinc/25/04/38/193250438.db2.gz CYJMAVGVBWOFEO-NXEZZACHSA-N 1 0 315.171 2.434 10 5 DEBERO C[NH2+][C@H]1[C@@H](S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1(C)C ZINC000094311259 193358751 /nfs/dbraw/zinc/35/87/51/193358751.db2.gz WYLKZVYVOODWNP-STQMWFEESA-N 1 0 312.391 2.145 10 5 DEBERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042428655 183269183 /nfs/dbraw/zinc/26/91/83/183269183.db2.gz KKUBJRAGWWGARQ-NXEZZACHSA-N 1 0 311.769 2.334 10 5 DEBERO CCC[NH2+][C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000043301375 183352290 /nfs/dbraw/zinc/35/22/90/183352290.db2.gz UOURSKVOBXUMDO-RISCZKNCSA-N 1 0 312.391 2.070 10 5 DEBERO CCC[NH2+][C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301187 183352413 /nfs/dbraw/zinc/35/24/13/183352413.db2.gz ZGMIVSYGIZRBNM-TZMCWYRMSA-N 1 0 312.391 2.070 10 5 DEBERO CC[C@@H](C[NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159431531 197353194 /nfs/dbraw/zinc/35/31/94/197353194.db2.gz GLLPORJVHHGCTK-ZETCQYMHSA-N 1 0 316.155 2.281 10 5 DEBERO CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000106113825 194187871 /nfs/dbraw/zinc/18/78/71/194187871.db2.gz KBIWUCRZFQVLIY-OAHLLOKOSA-N 1 0 307.394 2.137 10 5 DEBERO CC[NH2+]CCC(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000061292637 184167894 /nfs/dbraw/zinc/16/78/94/184167894.db2.gz FHAWKFPHKASVIN-UHFFFAOYSA-N 1 0 316.155 2.295 10 5 DEBERO C[C@@H]1OCC[C@@]1([NH3+])Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000125999919 195801399 /nfs/dbraw/zinc/80/13/99/195801399.db2.gz ANLWFJQCSPOYDI-QPUJVOFHSA-N 1 0 315.167 2.406 10 5 DEBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000246356303 145100206 /nfs/dbraw/zinc/10/02/06/145100206.db2.gz WUGFJOURBMQXTQ-UAGQMJEPSA-N 1 0 320.389 2.255 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261604166 145210014 /nfs/dbraw/zinc/21/00/14/145210014.db2.gz AVRDEIBDIMDTSH-QGZVFWFLSA-N 1 0 312.373 2.445 10 5 DEBERO O=[N+]([O-])c1ccc(CCN2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000261794940 145227530 /nfs/dbraw/zinc/22/75/30/145227530.db2.gz QLIYIOAEQXYNKX-KRWDZBQOSA-N 1 0 312.373 2.179 10 5 DEBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000077730427 401827685 /nfs/dbraw/zinc/82/76/85/401827685.db2.gz YGCNTCLQQVZMIK-AWEZNQCLSA-N 1 0 307.394 2.230 10 5 DEBERO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C[C@H]1CC ZINC000150768609 401994294 /nfs/dbraw/zinc/99/42/94/401994294.db2.gz CDZLYQFHYGLAJJ-CQSZACIVSA-N 1 0 322.409 2.235 10 5 DEBERO O=[N+]([O-])c1ccc2sc([S@@](=O)C[C@H]3CCC[NH2+]3)nc2c1 ZINC000095092234 402025806 /nfs/dbraw/zinc/02/58/06/402025806.db2.gz LMYISZRPUDBFAD-ZPWHCFADSA-N 1 0 311.388 2.064 10 5 DEBERO Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000153130952 402128369 /nfs/dbraw/zinc/12/83/69/402128369.db2.gz ZUFMOYHTBZSXNI-ZIAGYGMSSA-N 1 0 311.769 2.076 10 5 DEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247282762 402562634 /nfs/dbraw/zinc/56/26/34/402562634.db2.gz FZQSQWDQMZHZQZ-DZGCQCFKSA-N 1 0 319.405 2.326 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247468635 402568090 /nfs/dbraw/zinc/56/80/90/402568090.db2.gz RMRSXIQLGKHLEL-OCCSQVGLSA-N 1 0 303.362 2.212 10 5 DEBERO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCCOc3cc(F)ccc32)c1 ZINC000182157360 402668975 /nfs/dbraw/zinc/66/89/75/402668975.db2.gz SZNRTNXDBRJUHJ-AWEZNQCLSA-N 1 0 320.324 2.434 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000183251067 402750422 /nfs/dbraw/zinc/75/04/22/402750422.db2.gz YYJQMQWBLVUWHE-UHFFFAOYSA-N 1 0 317.389 2.394 10 5 DEBERO Cc1nn(C)c(NCc2ccc(F)c(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000265172322 402898328 /nfs/dbraw/zinc/89/83/28/402898328.db2.gz BUUITVYRLQNSAV-UHFFFAOYSA-N 1 0 321.356 2.450 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000572754265 406732766 /nfs/dbraw/zinc/73/27/66/406732766.db2.gz SOLBWXQJAXJQJF-OLZOCXBDSA-N 1 0 307.398 2.183 10 5 DEBERO O=[N+]([O-])c1cc(Cl)c(Cl)cc1NC[C@H]1C[NH2+]CCO1 ZINC000134272565 196375976 /nfs/dbraw/zinc/37/59/76/196375976.db2.gz YLKDJBKRAZFVAP-SSDOTTSWSA-N 1 0 306.149 2.302 10 5 DEBERO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000188001578 274319227 /nfs/dbraw/zinc/31/92/27/274319227.db2.gz MCBXWCNOHXVTTI-WBMJQRKESA-N 1 0 321.377 2.016 10 5 DEBERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000046279917 276111769 /nfs/dbraw/zinc/11/17/69/276111769.db2.gz IYHHVTDWKWJXOH-ZDUSSCGKSA-N 1 0 322.409 2.467 10 5 DEBERO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2ccc([N+](=O)[O-])nc2)C[C@@H](C)O1 ZINC000450457323 278760777 /nfs/dbraw/zinc/76/07/77/278760777.db2.gz RPRITGBZEXAZKL-NFAWXSAZSA-N 1 0 320.393 2.068 10 5 DEBERO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000248762300 302038876 /nfs/dbraw/zinc/03/88/76/302038876.db2.gz JXJIBXMDYLWDEF-OLZOCXBDSA-N 1 0 303.362 2.212 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000127226149 521651368 /nfs/dbraw/zinc/65/13/68/521651368.db2.gz BKNWYSIKDHEWFB-HNNXBMFYSA-N 1 0 319.405 2.388 10 5 DEBERO C[NH2+][C@H](C)CNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000261567531 536404952 /nfs/dbraw/zinc/40/49/52/536404952.db2.gz ZWBCBRXYXDDFCQ-ZCFIWIBFSA-N 1 0 303.160 2.081 10 5 DEBERO Cc1c(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000245983909 525688987 /nfs/dbraw/zinc/68/89/87/525688987.db2.gz YZQIKTSXQCAJLS-WFASDCNBSA-N 1 0 319.405 2.387 10 5 DEBERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000157998184 527584996 /nfs/dbraw/zinc/58/49/96/527584996.db2.gz HBGOGLVVGGXWLD-LLVKDONJSA-N 1 0 320.397 2.402 10 5 DEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000246826140 536168736 /nfs/dbraw/zinc/16/87/36/536168736.db2.gz AKRPOANAZGTVQB-QWRGUYRKSA-N 1 0 309.391 2.355 10 5 DEBERO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000178891406 636491141 /nfs/dbraw/zinc/49/11/41/636491141.db2.gz XFSUWIKTNOMQQF-LBPRGKRZSA-N 1 0 319.340 2.238 10 5 DEBERO C/C(=C/C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000751501986 639088386 /nfs/dbraw/zinc/08/83/86/639088386.db2.gz KXJQCCXOMRWGSE-GAJOTYCWSA-N 1 0 315.373 2.351 10 5 DEBERO C/C(=C/C(=O)NCCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000752357137 639175600 /nfs/dbraw/zinc/17/56/00/639175600.db2.gz XMXJYOOTUPXDPC-SEYXRHQNSA-N 1 0 305.378 2.456 10 5 DEBERO C[N@@+]1(C[C@@H](O)COc2ccccc2)C=C(Br)C=N1 ZINC001082760116 717195884 /nfs/dbraw/zinc/19/58/84/717195884.db2.gz UHBUUEWETPAUFU-WBMJQRKESA-N 1 0 312.187 2.109 10 5 DEBERO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)cs1 ZINC000720410061 1089724527 /nfs/dbraw/zinc/72/45/27/1089724527.db2.gz HZAZXFNSGLRZNH-RYUDHWBXSA-N 1 0 313.448 2.326 10 5 DEBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000137020440 282092829 /nfs/dbraw/zinc/09/28/29/282092829.db2.gz LXEWFALCFUWHIH-INIZCTEOSA-N 1 0 316.361 2.231 10 5 DEBERO COCCC[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162124466 197546507 /nfs/dbraw/zinc/54/65/07/197546507.db2.gz IJDJMMWEHHGEKF-UHFFFAOYSA-N 1 0 303.156 2.483 10 5 DEBERO CC[C@H](C[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000087520017 185227704 /nfs/dbraw/zinc/22/77/04/185227704.db2.gz JKUUOBZMXJCHQE-SSDOTTSWSA-N 1 0 316.155 2.281 10 5 DEBERO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Br)[C@H](C)CO ZINC000167124151 197704026 /nfs/dbraw/zinc/70/40/26/197704026.db2.gz JHSBPSPQTOLUHG-RKDXNWHRSA-N 1 0 317.183 2.464 10 5 DEBERO CSCC[C@H]([NH3+])C(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000147507194 186040292 /nfs/dbraw/zinc/04/02/92/186040292.db2.gz KTEUTICCHLFNID-MFKMUULPSA-N 1 0 311.407 2.195 10 5 DEBERO O=[N+]([O-])c1ccc(Cn2cc(C[NH2+]C3CC3)nn2)c(Cl)c1 ZINC000090297694 355560172 /nfs/dbraw/zinc/56/01/72/355560172.db2.gz OFVSWGWQWNCSGB-UHFFFAOYSA-N 1 0 307.741 2.140 10 5 DEBERO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181833234 356097176 /nfs/dbraw/zinc/09/71/76/356097176.db2.gz TYOGHLXNQKSTJS-CMPLNLGQSA-N 1 0 314.407 2.235 10 5 DEBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179551931 199054430 /nfs/dbraw/zinc/05/44/30/199054430.db2.gz BZFBBAKKPZTHBS-AWEZNQCLSA-N 1 0 317.389 2.440 10 5 DEBERO Cc1c([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cccc1[N+](=O)[O-] ZINC000180584724 199179707 /nfs/dbraw/zinc/17/97/07/199179707.db2.gz XTGCGISLFOPANI-VXGBXAGGSA-N 1 0 301.350 2.160 10 5 DEBERO Cc1noc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000089517948 192807348 /nfs/dbraw/zinc/80/73/48/192807348.db2.gz FNQGJERSVPRHLE-CQSZACIVSA-N 1 0 316.361 2.440 10 5 DEBERO O=[N+]([O-])c1cnccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000610946710 361495956 /nfs/dbraw/zinc/49/59/56/361495956.db2.gz SFANOWBNUSZOGY-TZMCWYRMSA-N 1 0 302.378 2.443 10 5 DEBERO [NH3+][C@@H]1CCC[C@@H](Oc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093434610 193252019 /nfs/dbraw/zinc/25/20/19/193252019.db2.gz AAQQOIWIBZGOEK-VXNVDRBHSA-N 1 0 316.155 2.401 10 5 DEBERO C[NH2+][C@@H]1CCC[C@@H]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000093623443 193275555 /nfs/dbraw/zinc/27/55/55/193275555.db2.gz ZXYVFHPZRIQFHJ-BXUZGUMPSA-N 1 0 312.391 2.147 10 5 DEBERO COC(=O)[C@]1([NH3+])CC[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000093834467 193315138 /nfs/dbraw/zinc/31/51/38/193315138.db2.gz BULJXRPPKPSQFU-ZANVPECISA-N 1 0 314.725 2.050 10 5 DEBERO COC(=O)[C@]1([NH3+])CC[C@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000093847173 193317299 /nfs/dbraw/zinc/31/72/99/193317299.db2.gz CUURLTAZJHUYPQ-ZANVPECISA-N 1 0 314.725 2.050 10 5 DEBERO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094188542 193347777 /nfs/dbraw/zinc/34/77/77/193347777.db2.gz CHQIGHXLJWUPCQ-SSDOTTSWSA-N 1 0 316.155 2.151 10 5 DEBERO O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC[NH2+]1 ZINC000037040239 182863879 /nfs/dbraw/zinc/86/38/79/182863879.db2.gz RTVPJPVSAQOLGS-SNVBAGLBSA-N 1 0 314.139 2.048 10 5 DEBERO C[N@@H+]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000042546841 183282568 /nfs/dbraw/zinc/28/25/68/183282568.db2.gz IAILZAAOAGPKED-SNVBAGLBSA-N 1 0 314.183 2.151 10 5 DEBERO C[NH2+]C[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159433000 197353407 /nfs/dbraw/zinc/35/34/07/197353407.db2.gz LYESLXAEVAOAPP-SSDOTTSWSA-N 1 0 316.155 2.151 10 5 DEBERO [NH3+]Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C1CC1 ZINC000109405349 194261059 /nfs/dbraw/zinc/26/10/59/194261059.db2.gz YSTDFNKVAMLXHV-UHFFFAOYSA-N 1 0 305.363 2.272 10 5 DEBERO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000060722351 184155091 /nfs/dbraw/zinc/15/50/91/184155091.db2.gz YXAKSGRPDJHZLU-HABDOHHLSA-N 1 0 315.373 2.351 10 5 DEBERO Cc1cccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000061604873 184177492 /nfs/dbraw/zinc/17/74/92/184177492.db2.gz ISDAQVQOCBISQM-UHFFFAOYSA-N 1 0 303.362 2.214 10 5 DEBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000119834119 195045655 /nfs/dbraw/zinc/04/56/55/195045655.db2.gz MSURZMMSAIAIIO-LBPRGKRZSA-N 1 0 306.366 2.379 10 5 DEBERO [NH3+][C@@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000158798266 197301572 /nfs/dbraw/zinc/30/15/72/197301572.db2.gz KHPNIASWXMYCGR-LBPRGKRZSA-N 1 0 312.391 2.276 10 5 DEBERO O=[N+]([O-])c1cccnc1N1CCC(C[NH+]2CCSCC2)CC1 ZINC000070451193 285165408 /nfs/dbraw/zinc/16/54/08/285165408.db2.gz ZMVFETIBVOUXSD-UHFFFAOYSA-N 1 0 322.434 2.255 10 5 DEBERO C[C@H]([NH3+])[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)CCO1 ZINC000156550837 197123255 /nfs/dbraw/zinc/12/32/55/197123255.db2.gz PYHIGSXYHPQFJU-UFBFGSQYSA-N 1 0 301.293 2.085 10 5 DEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000155481073 197059560 /nfs/dbraw/zinc/05/95/60/197059560.db2.gz LZZYUIFBWKROIC-RISCZKNCSA-N 1 0 321.377 2.062 10 5 DEBERO CN1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1=O ZINC000152354524 196812315 /nfs/dbraw/zinc/81/23/15/196812315.db2.gz MHIKUJMKRKAXKE-GJZGRUSLSA-N 1 0 317.389 2.126 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246839335 145116580 /nfs/dbraw/zinc/11/65/80/145116580.db2.gz BJYLLZKYDPQCFV-ZBFHGGJFSA-N 1 0 317.389 2.223 10 5 DEBERO CCOCC[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000246998948 145122494 /nfs/dbraw/zinc/12/24/94/145122494.db2.gz BJIKKMFESLDXQP-OAHLLOKOSA-N 1 0 321.421 2.180 10 5 DEBERO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000247016626 145123249 /nfs/dbraw/zinc/12/32/49/145123249.db2.gz UOCKHQKWSXXCJP-IKGGRYGDSA-N 1 0 320.389 2.406 10 5 DEBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000249035575 145175927 /nfs/dbraw/zinc/17/59/27/145175927.db2.gz SMSXGJSNWWMWOD-SCRDCRAPSA-N 1 0 307.306 2.160 10 5 DEBERO O=[N+]([O-])c1cc(CN2CC[NH2+]C[C@@H]2c2cccnc2)cs1 ZINC000261723208 145220908 /nfs/dbraw/zinc/22/09/08/145220908.db2.gz LIPLFRARSJPVME-CYBMUJFWSA-N 1 0 304.375 2.198 10 5 DEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000113232534 401771306 /nfs/dbraw/zinc/77/13/06/401771306.db2.gz BKUVVCRGKRPYHG-CMPLNLGQSA-N 1 0 307.325 2.043 10 5 DEBERO Cn1cc([C@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000137038251 401977959 /nfs/dbraw/zinc/97/79/59/401977959.db2.gz UDHHUSVFONFJJL-CVEARBPZSA-N 1 0 316.361 2.199 10 5 DEBERO Cc1sc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177043793 402363085 /nfs/dbraw/zinc/36/30/85/402363085.db2.gz YWBOALGYCWDVCA-WCBMZHEXSA-N 1 0 309.391 2.320 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000177441665 402402673 /nfs/dbraw/zinc/40/26/73/402402673.db2.gz GMSIKYURAHKRPO-OAHLLOKOSA-N 1 0 320.393 2.221 10 5 DEBERO Cc1c(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cccc1[N+](=O)[O-] ZINC000186552157 402441343 /nfs/dbraw/zinc/44/13/43/402441343.db2.gz ONFSJVBPXFAGLK-LBPRGKRZSA-N 1 0 303.362 2.260 10 5 DEBERO CCOC(=O)c1cc(N2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000246062400 402506873 /nfs/dbraw/zinc/50/68/73/402506873.db2.gz BHTIYQJVERPUCF-ZDUSSCGKSA-N 1 0 319.361 2.056 10 5 DEBERO C[C@@H](C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000248597947 402598326 /nfs/dbraw/zinc/59/83/26/402598326.db2.gz UFHZMMMSZPXGEA-GRYCIOLGSA-N 1 0 323.368 2.388 10 5 DEBERO COc1ccc(OCC[NH2+][C@@H](C)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000183124274 402741009 /nfs/dbraw/zinc/74/10/09/402741009.db2.gz OYKRQYVDAMUKDF-SMDDNHRTSA-N 1 0 310.350 2.139 10 5 DEBERO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000183128398 402741727 /nfs/dbraw/zinc/74/17/27/402741727.db2.gz TYAVHASAJSXSBH-SMDDNHRTSA-N 1 0 307.350 2.081 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000183219749 402748134 /nfs/dbraw/zinc/74/81/34/402748134.db2.gz PYYWQWRJNUQKEB-CQSZACIVSA-N 1 0 315.377 2.407 10 5 DEBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000194829460 402817723 /nfs/dbraw/zinc/81/77/23/402817723.db2.gz SMSXGJSNWWMWOD-BZPMIXESSA-N 1 0 307.306 2.160 10 5 DEBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[NH+](C)C ZINC000273366075 402998513 /nfs/dbraw/zinc/99/85/13/402998513.db2.gz KHFDQVLVFNBMBQ-ZRDIBKRKSA-N 1 0 305.378 2.455 10 5 DEBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)CC[NH+](C)C ZINC000273409196 403002204 /nfs/dbraw/zinc/00/22/04/403002204.db2.gz IAXLGRPYYGVDJY-XZHRJIJLSA-N 1 0 305.378 2.455 10 5 DEBERO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246832539 286383985 /nfs/dbraw/zinc/38/39/85/286383985.db2.gz CUNRGGGGMPKHLL-DOMZBBRYSA-N 1 0 305.378 2.272 10 5 DEBERO COc1cc(C[N@H+](C)C2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000534345626 406184304 /nfs/dbraw/zinc/18/43/04/406184304.db2.gz YNTXAFYXXBINQA-UHFFFAOYSA-N 1 0 310.350 2.223 10 5 DEBERO C[NH2+][C@H]1CCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000129156555 196024592 /nfs/dbraw/zinc/02/45/92/196024592.db2.gz RXWINXNKLGHKLG-VIFPVBQESA-N 1 0 300.156 2.155 10 5 DEBERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000129161035 196024952 /nfs/dbraw/zinc/02/49/52/196024952.db2.gz MQHQWHAYCOESKY-FOSCPWQOSA-N 1 0 309.753 2.261 10 5 DEBERO C[C@@H]1C[NH2+]C[C@H](COCc2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000132769476 196282122 /nfs/dbraw/zinc/28/21/22/196282122.db2.gz UULUOJPRJISJQW-BXKDBHETSA-N 1 0 300.742 2.142 10 5 DEBERO COc1ccc(OCCN2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000173522754 224770878 /nfs/dbraw/zinc/77/08/78/224770878.db2.gz MVEDIIZLGYVCFF-UHFFFAOYSA-N 1 0 323.393 2.008 10 5 DEBERO C[N@@H+]1CCC[C@H]2CN(c3cc(CO)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000302027264 277084466 /nfs/dbraw/zinc/08/44/66/277084466.db2.gz IPVXWEBLDOZYHS-KBPBESRZSA-N 1 0 305.378 2.008 10 5 DEBERO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000194708289 281257624 /nfs/dbraw/zinc/25/76/24/281257624.db2.gz JXJIBXMDYLWDEF-STQMWFEESA-N 1 0 303.362 2.212 10 5 DEBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000246999769 519695999 /nfs/dbraw/zinc/69/59/99/519695999.db2.gz GTYIKTYDERBNJT-IINYFYTJSA-N 1 0 309.341 2.192 10 5 DEBERO O=[N+]([O-])c1ccc(N2CCC[NH2+]CC2)c(Br)c1 ZINC000033900379 625431817 /nfs/dbraw/zinc/43/18/17/625431817.db2.gz GXVSQKXIZKRJMI-UHFFFAOYSA-N 1 0 300.156 2.157 10 5 DEBERO C/C(=C/C(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752386857 639179684 /nfs/dbraw/zinc/17/96/84/639179684.db2.gz PNEIHLGGGYHGIY-QLKUMGTLSA-N 1 0 317.389 2.408 10 5 DEBERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000073185911 649655308 /nfs/dbraw/zinc/65/53/08/649655308.db2.gz LVCQOGXEJFJZJP-CYBMUJFWSA-N 1 0 322.361 2.108 10 5 DEBERO CC[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000126725545 684156413 /nfs/dbraw/zinc/15/64/13/684156413.db2.gz AWBZNYUGESZDBG-ZIAGYGMSSA-N 1 0 312.391 2.213 10 5 DEBERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000160426151 684327733 /nfs/dbraw/zinc/32/77/33/684327733.db2.gz MZVQGXXAZISKAI-SNVBAGLBSA-N 1 0 311.769 2.414 10 5 DEBERO CC1(C)C[NH2+]C[C@@H]1Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000721900857 781593742 /nfs/dbraw/zinc/59/37/42/781593742.db2.gz UVJJDIKXXGMLII-VIFPVBQESA-N 1 0 315.171 2.162 10 5 DEBERO CC[N@@H+]1CCC[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000612440117 361828826 /nfs/dbraw/zinc/82/88/26/361828826.db2.gz XNWZEYNXPRMXKB-NSHDSACASA-N 1 0 301.350 2.434 10 5 DEBERO C[NH2+][C@H]1CCCCC[C@@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942309 192343595 /nfs/dbraw/zinc/34/35/95/192343595.db2.gz JRXSKSOPNWOGLL-KBPBESRZSA-N 1 0 312.391 2.289 10 5 DEBERO CC[NH2+][C@H](CC)[C@H](C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942845 192343748 /nfs/dbraw/zinc/34/37/48/192343748.db2.gz AGHGPGOGCBSANY-WDEREUQCSA-N 1 0 300.380 2.145 10 5 DEBERO CC[NH2+][C@@H](C)CCCS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942812 192344026 /nfs/dbraw/zinc/34/40/26/192344026.db2.gz DEWZPYJVWYBCLS-NSHDSACASA-N 1 0 300.380 2.147 10 5 DEBERO CC[NH2+][C@H](C)CCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942104 192344390 /nfs/dbraw/zinc/34/43/90/192344390.db2.gz BADBDVKKBOQMLF-LLVKDONJSA-N 1 0 300.380 2.147 10 5 DEBERO O=[N+]([O-])c1ccc(Br)cc1OC[C@H]1CCC[NH2+]1 ZINC000087835290 185233228 /nfs/dbraw/zinc/23/32/28/185233228.db2.gz AUZHSBXHHJAXDD-SECBINFHSA-N 1 0 301.140 2.488 10 5 DEBERO COc1cccc(F)c1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090538707 185301578 /nfs/dbraw/zinc/30/15/78/185301578.db2.gz RYOFANYJBCNFRL-JTQLQIEISA-N 1 0 308.313 2.290 10 5 DEBERO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc([N+](=O)[O-])c1 ZINC000090539783 185301670 /nfs/dbraw/zinc/30/16/70/185301670.db2.gz HAYMTNCOEGMSHD-CQSZACIVSA-N 1 0 319.321 2.440 10 5 DEBERO C[NH2+]C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000071147904 190936983 /nfs/dbraw/zinc/93/69/83/190936983.db2.gz HPMYDWGKHUJJHH-SECBINFHSA-N 1 0 314.183 2.403 10 5 DEBERO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000155777805 186112194 /nfs/dbraw/zinc/11/21/94/186112194.db2.gz YVCMWBZVPUEPPU-FZMZJTMJSA-N 1 0 321.377 2.062 10 5 DEBERO Cc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000171885417 198001058 /nfs/dbraw/zinc/00/10/58/198001058.db2.gz BCRPVLVLDKSYIX-ZDUSSCGKSA-N 1 0 304.350 2.215 10 5 DEBERO COC(=O)c1cc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000092672447 355646011 /nfs/dbraw/zinc/64/60/11/355646011.db2.gz OVCMXKRVNXVVOF-CMPLNLGQSA-N 1 0 319.361 2.419 10 5 DEBERO CN(c1ccc(Br)cc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000384869470 356684810 /nfs/dbraw/zinc/68/48/10/356684810.db2.gz OMMDNAGEIXQIBP-UHFFFAOYSA-N 1 0 300.156 2.283 10 5 DEBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn(C)nn1 ZINC000611973470 361715684 /nfs/dbraw/zinc/71/56/84/361715684.db2.gz HWMZODWRRQLFPW-LLVKDONJSA-N 1 0 321.406 2.384 10 5 DEBERO CCC[NH2+]C[C@](C)(O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000090823442 192938219 /nfs/dbraw/zinc/93/82/19/192938219.db2.gz ZCERJFSGCQZDEW-ZDUSSCGKSA-N 1 0 302.758 2.378 10 5 DEBERO NC(=O)[C@@]1([NH3+])CCC[C@H]1CCSc1ccc([N+](=O)[O-])cc1 ZINC000093627045 193276848 /nfs/dbraw/zinc/27/68/48/193276848.db2.gz FCQPBYSMDDMAMN-IINYFYTJSA-N 1 0 309.391 2.060 10 5 DEBERO CC[NH2+][C@@]1(C(N)=O)CC[C@@H](Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000093848668 193318094 /nfs/dbraw/zinc/31/80/94/193318094.db2.gz QHZLJLHEVVKOCP-OCCSQVGLSA-N 1 0 309.391 2.073 10 5 DEBERO C[C@H]1C[C@@H](N(C)c2nc3sccn3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000266275143 205232153 /nfs/dbraw/zinc/23/21/53/205232153.db2.gz RUOLRDNGFPXTKL-UWVGGRQHSA-N 1 0 309.395 2.223 10 5 DEBERO CC[NH+](CC)CCOc1ncc(Br)cc1[N+](=O)[O-] ZINC000042389958 183263316 /nfs/dbraw/zinc/26/33/16/183263316.db2.gz VIGLROKQCYYEBL-UHFFFAOYSA-N 1 0 318.171 2.473 10 5 DEBERO CCOCC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000106111019 194186914 /nfs/dbraw/zinc/18/69/14/194186914.db2.gz FDXYFYFGDQDWLM-AWEZNQCLSA-N 1 0 307.394 2.137 10 5 DEBERO CC[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000106116410 194188308 /nfs/dbraw/zinc/18/83/08/194188308.db2.gz PGFYHROIUPFRNS-HNNXBMFYSA-N 1 0 307.394 2.137 10 5 DEBERO O=C(c1ccc([N+](=O)[O-])s1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000063189423 184277257 /nfs/dbraw/zinc/27/72/57/184277257.db2.gz XSTHKPVSTDREFE-GHMZBOCLSA-N 1 0 309.391 2.403 10 5 DEBERO C[NH2+]C[C@@H](C)Oc1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000158809127 197303108 /nfs/dbraw/zinc/30/31/08/197303108.db2.gz OFWNXKXHKCNXBH-ZCFIWIBFSA-N 1 0 307.119 2.483 10 5 DEBERO O=[N+]([O-])c1ccc2[nH]c(N3CC[N@@H+]4CCCC[C@@H]4C3)nc2c1 ZINC000277356374 285140860 /nfs/dbraw/zinc/14/08/60/285140860.db2.gz AQTXCMFBQUQUNG-GFCCVEGCSA-N 1 0 301.350 2.146 10 5 DEBERO C[NH2+]CCN(C)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000158066833 197240503 /nfs/dbraw/zinc/24/05/03/197240503.db2.gz CFIPBGOJOHVCQE-UHFFFAOYSA-N 1 0 306.135 2.152 10 5 DEBERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000360396168 133179699 /nfs/dbraw/zinc/17/96/99/133179699.db2.gz RIWCTENIKYHPPS-NSHDSACASA-N 1 0 322.365 2.067 10 5 DEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247193107 145129041 /nfs/dbraw/zinc/12/90/41/145129041.db2.gz BNGYQZKYOJFNEF-GXTWGEPZSA-N 1 0 305.378 2.397 10 5 DEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000247213541 145129981 /nfs/dbraw/zinc/12/99/81/145129981.db2.gz CIRHNWKLAUBIBX-QWRGUYRKSA-N 1 0 311.407 2.459 10 5 DEBERO O=[N+]([O-])c1ccc(OCCN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000248368004 145151894 /nfs/dbraw/zinc/15/18/94/145151894.db2.gz USFJOSCBFSLMIX-HNNXBMFYSA-N 1 0 305.378 2.144 10 5 DEBERO CO[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000252009444 145198320 /nfs/dbraw/zinc/19/83/20/145198320.db2.gz XLOXUVINRUFYIV-YWPYICTPSA-N 1 0 321.377 2.279 10 5 DEBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261619217 145211076 /nfs/dbraw/zinc/21/10/76/145211076.db2.gz HLTZQVNWCIHMCT-DOOHLRMFSA-N 1 0 303.362 2.231 10 5 DEBERO Cc1cccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000113230348 401771573 /nfs/dbraw/zinc/77/15/73/401771573.db2.gz DGZMIFMEXIOFQP-STQMWFEESA-N 1 0 303.362 2.212 10 5 DEBERO Cc1c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000113233697 401772152 /nfs/dbraw/zinc/77/21/52/401772152.db2.gz TVCWYCDWIFAZKU-WCQYABFASA-N 1 0 303.362 2.212 10 5 DEBERO COc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000113269713 401773680 /nfs/dbraw/zinc/77/36/80/401773680.db2.gz CORJFMNROWFWBI-GXTWGEPZSA-N 1 0 305.378 2.272 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115433867 401827870 /nfs/dbraw/zinc/82/78/70/401827870.db2.gz HAZZXKBVIWFBTA-CYBMUJFWSA-N 1 0 305.378 2.317 10 5 DEBERO C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000122752500 402092817 /nfs/dbraw/zinc/09/28/17/402092817.db2.gz JGXRHOVLJPUNEZ-GHMZBOCLSA-N 1 0 309.341 2.289 10 5 DEBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000068222964 402188068 /nfs/dbraw/zinc/18/80/68/402188068.db2.gz SSDHBHOXRRRXIR-CQSZACIVSA-N 1 0 307.394 2.230 10 5 DEBERO CC[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000125713464 402246563 /nfs/dbraw/zinc/24/65/63/402246563.db2.gz AHXFKDSQKHZMMA-HZPDHXFCSA-N 1 0 308.378 2.425 10 5 DEBERO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000176869692 402344783 /nfs/dbraw/zinc/34/47/83/402344783.db2.gz MIUDCRQQONBVOC-NEPJUHHUSA-N 1 0 320.393 2.040 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000177034784 402361351 /nfs/dbraw/zinc/36/13/51/402361351.db2.gz YCKDXTMSEZQQLK-HNNXBMFYSA-N 1 0 305.378 2.080 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000177034769 402361390 /nfs/dbraw/zinc/36/13/90/402361390.db2.gz YCKDXTMSEZQQLK-OAHLLOKOSA-N 1 0 305.378 2.080 10 5 DEBERO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc([N+](=O)[O-])cc1 ZINC000178055722 402456143 /nfs/dbraw/zinc/45/61/43/402456143.db2.gz BOMUZYVJLOIPBT-GFCCVEGCSA-N 1 0 324.344 2.421 10 5 DEBERO C[C@@H]1CC[C@@](CO)([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000187983041 402514340 /nfs/dbraw/zinc/51/43/40/402514340.db2.gz LFAGCWIEMLJHLY-CZUORRHYSA-N 1 0 308.378 2.457 10 5 DEBERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000247016648 402553663 /nfs/dbraw/zinc/55/36/63/402553663.db2.gz UOCKHQKWSXXCJP-IXDOHACOSA-N 1 0 320.389 2.406 10 5 DEBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173256883 402689549 /nfs/dbraw/zinc/68/95/49/402689549.db2.gz LMTYCHVFCSAESZ-AWEZNQCLSA-N 1 0 307.394 2.230 10 5 DEBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000183161875 402743700 /nfs/dbraw/zinc/74/37/00/402743700.db2.gz GWOXEPFQMPOEDG-XUJVJEKNSA-N 1 0 321.377 2.387 10 5 DEBERO CCC[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000175424901 402805688 /nfs/dbraw/zinc/80/56/88/402805688.db2.gz WGJQNNURFWQLCN-JKSUJKDBSA-N 1 0 307.394 2.356 10 5 DEBERO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000194752019 402814545 /nfs/dbraw/zinc/81/45/45/402814545.db2.gz NUJBYWGPOZJAES-CHWSQXEVSA-N 1 0 305.378 2.458 10 5 DEBERO CC[N@@H+]1CC[C@H]2OCCN(c3cc(C)c([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000292688676 403374399 /nfs/dbraw/zinc/37/43/99/403374399.db2.gz FFTOLJMHUSPCFN-JKSUJKDBSA-N 1 0 323.368 2.342 10 5 DEBERO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000408068171 405103136 /nfs/dbraw/zinc/10/31/36/405103136.db2.gz HJCXXDRNGSBRBB-QWRGUYRKSA-N 1 0 316.361 2.241 10 5 DEBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC2)c(Br)c1 ZINC000131503465 196175661 /nfs/dbraw/zinc/17/56/61/196175661.db2.gz YDAQWGUFYYHUNV-SECBINFHSA-N 1 0 301.140 2.236 10 5 DEBERO [NH3+]C[C@H]1CCCN1c1cc(Br)ccc1[N+](=O)[O-] ZINC000132026234 196219378 /nfs/dbraw/zinc/21/93/78/196219378.db2.gz HAYRHGLFGHCSRY-SECBINFHSA-N 1 0 300.156 2.285 10 5 DEBERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000183112768 274518601 /nfs/dbraw/zinc/51/86/01/274518601.db2.gz ODGNWTLJMAHGPM-COPLHBTASA-N 1 0 307.350 2.079 10 5 DEBERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1[N+](=O)[O-] ZINC000180581799 280942488 /nfs/dbraw/zinc/94/24/88/280942488.db2.gz YGKKXBSQHTWYSF-YPMHNXCESA-N 1 0 301.350 2.160 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH2+]C[C@H]1c1ccncc1 ZINC000261977776 301431279 /nfs/dbraw/zinc/43/12/79/301431279.db2.gz IWEKILMXJVAFFU-KRWDZBQOSA-N 1 0 312.373 2.445 10 5 DEBERO Cc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247451225 526215423 /nfs/dbraw/zinc/21/54/23/526215423.db2.gz SSMZUBHSLIOOHH-OCCSQVGLSA-N 1 0 305.378 2.362 10 5 DEBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193640047 535022872 /nfs/dbraw/zinc/02/28/72/535022872.db2.gz SQCZIPDCBJEHSW-GASCZTMLSA-N 1 0 319.405 2.375 10 5 DEBERO CC1(C)CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000261601855 535348508 /nfs/dbraw/zinc/34/85/08/535348508.db2.gz BWROIQGCXSLCGG-GFCCVEGCSA-N 1 0 311.769 2.448 10 5 DEBERO C/C(=C/C(=O)NC[C@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000750806758 639028947 /nfs/dbraw/zinc/02/89/47/639028947.db2.gz FYSDSVRMCKTMFP-KIWPFMIBSA-N 1 0 303.362 2.066 10 5 DEBERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Cl)c1[N+](=O)[O-] ZINC000237838627 648428245 /nfs/dbraw/zinc/42/82/45/648428245.db2.gz KFXVTSBGOGQFOG-ULKQDVFKSA-N 1 0 309.753 2.261 10 5 DEBERO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCN(C2CC2)CC1 ZINC000160396456 684326697 /nfs/dbraw/zinc/32/66/97/684326697.db2.gz KDLHUVZLTYQEQB-UHFFFAOYSA-N 1 0 309.753 2.168 10 5 DEBERO Cc1cc(C)c(NC(=O)CCC[N+]23CCN(CC2)CC3)c(C)c1 ZINC000007613025 717105224 /nfs/dbraw/zinc/10/52/24/717105224.db2.gz RSGAFKZRAYPAIV-UHFFFAOYSA-O 1 0 316.469 2.477 10 5 DEBERO C[C@@H]1[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719622559 1089330420 /nfs/dbraw/zinc/33/04/20/1089330420.db2.gz GQJOAUIXFJVMPC-VXNVDRBHSA-N 1 0 315.171 2.257 10 5 DEBERO CC[NH+](CC)CCNC(=O)CCCOc1ccccc1[N+](=O)[O-] ZINC000096751810 185386195 /nfs/dbraw/zinc/38/61/95/185386195.db2.gz CBTLHEZQAPFQAN-UHFFFAOYSA-N 1 0 323.393 2.212 10 5 DEBERO CC[NH2+][C@@H](CC)[C@@H](C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942835 192343960 /nfs/dbraw/zinc/34/39/60/192343960.db2.gz AGHGPGOGCBSANY-MNOVXSKESA-N 1 0 300.380 2.145 10 5 DEBERO CCC[NH2+][C@H]1CCC[C@@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081941939 192344537 /nfs/dbraw/zinc/34/45/37/192344537.db2.gz FPFNQRNEBQLDRX-KBPBESRZSA-N 1 0 312.391 2.289 10 5 DEBERO CCC[NH2+][C@@H](C)CCS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081943010 192344681 /nfs/dbraw/zinc/34/46/81/192344681.db2.gz RLKGUWRPBMZPEB-NSHDSACASA-N 1 0 300.380 2.147 10 5 DEBERO CC(C)[C@@H](C[NH3+])Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000087405922 185224121 /nfs/dbraw/zinc/22/41/21/185224121.db2.gz LIBIELNYKLYFOQ-MRVPVSSYSA-N 1 0 303.160 2.148 10 5 DEBERO CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000090551850 185302633 /nfs/dbraw/zinc/30/26/33/185302633.db2.gz WJMQMKFFAHPYSP-CABCVRRESA-N 1 0 320.393 2.439 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183204849 199554753 /nfs/dbraw/zinc/55/47/53/199554753.db2.gz ZTQXWJCEQOKEMH-DOMZBBRYSA-N 1 0 321.377 2.389 10 5 DEBERO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000279669003 215045564 /nfs/dbraw/zinc/04/55/64/215045564.db2.gz HJHRUSRMSJODKN-CQSZACIVSA-N 1 0 305.378 2.251 10 5 DEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(C[NH3+])c1 ZINC000071699615 191009652 /nfs/dbraw/zinc/00/96/52/191009652.db2.gz FGSBMYGPUSZNDF-UHFFFAOYSA-N 1 0 301.302 2.314 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155708659 186104779 /nfs/dbraw/zinc/10/47/79/186104779.db2.gz UMADYQWQXGKBKR-WFASDCNBSA-N 1 0 305.378 2.362 10 5 DEBERO C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173345568 186178987 /nfs/dbraw/zinc/17/89/87/186178987.db2.gz SWHNOPHXMPBXEE-XJKSGUPXSA-N 1 0 307.394 2.092 10 5 DEBERO O=[N+]([O-])c1cccnc1Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000092978282 355659404 /nfs/dbraw/zinc/65/94/04/355659404.db2.gz IYWZXAMDAMKEPU-UHFFFAOYSA-N 1 0 316.365 2.416 10 5 DEBERO CCOc1cc(CN2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000578944424 356893809 /nfs/dbraw/zinc/89/38/09/356893809.db2.gz ZRQRVTAQEMUFCY-UHFFFAOYSA-N 1 0 305.378 2.274 10 5 DEBERO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000588820298 357426319 /nfs/dbraw/zinc/42/63/19/357426319.db2.gz VRLIPPHVWNQHQM-AAEUAGOBSA-N 1 0 307.398 2.183 10 5 DEBERO C[NH2+]C[C@H](C)Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000596032491 358596834 /nfs/dbraw/zinc/59/68/34/358596834.db2.gz MGFNQTLGOQFXBH-LURJTMIESA-N 1 0 303.160 2.081 10 5 DEBERO [NH3+][C@H]1CCC[C@@H](Oc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093434608 193251246 /nfs/dbraw/zinc/25/12/46/193251246.db2.gz AAQQOIWIBZGOEK-IONNQARKSA-N 1 0 316.155 2.401 10 5 DEBERO CC[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000093520596 193263362 /nfs/dbraw/zinc/26/33/62/193263362.db2.gz XOJMRKUJHYPVMU-ZDUSSCGKSA-N 1 0 314.407 2.459 10 5 DEBERO C[NH2+][C@H]1CCC[C@@H]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000093623444 193275272 /nfs/dbraw/zinc/27/52/72/193275272.db2.gz ZXYVFHPZRIQFHJ-RISCZKNCSA-N 1 0 312.391 2.147 10 5 DEBERO [NH3+]CCCc1nnc(-c2c(F)ccc([N+](=O)[O-])c2F)s1 ZINC000094191281 193348842 /nfs/dbraw/zinc/34/88/42/193348842.db2.gz SKMUNOXXHJXZJW-UHFFFAOYSA-N 1 0 300.290 2.283 10 5 DEBERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ncnc(Cl)c1[N+](=O)[O-] ZINC000094442784 193369874 /nfs/dbraw/zinc/36/98/74/193369874.db2.gz CDCPMTZGIKEFIF-NXEZZACHSA-N 1 0 311.773 2.101 10 5 DEBERO C[NH+](C)CCNC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000040374649 183057231 /nfs/dbraw/zinc/05/72/31/183057231.db2.gz BRHWCWHJOGIUHK-UHFFFAOYSA-N 1 0 303.318 2.146 10 5 DEBERO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000105883036 194155538 /nfs/dbraw/zinc/15/55/38/194155538.db2.gz UIXFMRSXDIMFMN-CQSZACIVSA-N 1 0 301.350 2.099 10 5 DEBERO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105883283 194155881 /nfs/dbraw/zinc/15/58/81/194155881.db2.gz ZDGBMSVCYZMWIF-CYBMUJFWSA-N 1 0 301.350 2.099 10 5 DEBERO CCCN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000111010424 194381630 /nfs/dbraw/zinc/38/16/30/194381630.db2.gz PPUBTBXKEYLYEX-JTQLQIEISA-N 1 0 311.769 2.462 10 5 DEBERO C[NH2+][C@@H]1CCN(c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000158776591 197300740 /nfs/dbraw/zinc/30/07/40/197300740.db2.gz DGHDOTMAEIMICH-SSDOTTSWSA-N 1 0 318.146 2.295 10 5 DEBERO CC(C)(O)C[NH2+]Cc1cc(Br)ccc1[N+](=O)[O-] ZINC000121167971 195302018 /nfs/dbraw/zinc/30/20/18/195302018.db2.gz VNKDGWYDRKKZLH-UHFFFAOYSA-N 1 0 303.156 2.218 10 5 DEBERO O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc2c(c1)C[NH2+]C2 ZINC000188751883 145016967 /nfs/dbraw/zinc/01/69/67/145016967.db2.gz VVTNMQOEQIMPOU-UHFFFAOYSA-N 1 0 311.341 2.057 10 5 DEBERO Cc1c(C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000246415683 145101962 /nfs/dbraw/zinc/10/19/62/145101962.db2.gz KGJLFOHKAJDABL-DYVFJYSZSA-N 1 0 319.405 2.056 10 5 DEBERO O=[N+]([O-])c1ccccc1OCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248358279 145152106 /nfs/dbraw/zinc/15/21/06/145152106.db2.gz QPUIMWIGYGPENY-AWEZNQCLSA-N 1 0 305.378 2.144 10 5 DEBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000261689788 145217224 /nfs/dbraw/zinc/21/72/24/145217224.db2.gz DCZTYKMZDMWZDD-SWKMLJDHSA-N 1 0 321.352 2.370 10 5 DEBERO O=[N+]([O-])c1cc(CN2CC[NH2+]C[C@H]2c2cccnc2)cs1 ZINC000261723212 145220770 /nfs/dbraw/zinc/22/07/70/145220770.db2.gz LIPLFRARSJPVME-ZDUSSCGKSA-N 1 0 304.375 2.198 10 5 DEBERO COc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1[N+](=O)[O-] ZINC000261906572 145240236 /nfs/dbraw/zinc/24/02/36/145240236.db2.gz PNJJSDUEVFFVDX-RTXFEEFZSA-N 1 0 319.361 2.463 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129926178 401811848 /nfs/dbraw/zinc/81/18/48/401811848.db2.gz YVVJUCUWFSWEOH-LBPRGKRZSA-N 1 0 316.361 2.290 10 5 DEBERO Cc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000113233346 401772362 /nfs/dbraw/zinc/77/23/62/401772362.db2.gz HPHPOBAVRKFEKE-GXTWGEPZSA-N 1 0 303.362 2.212 10 5 DEBERO CC[NH+](CC)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129963802 401813140 /nfs/dbraw/zinc/81/31/40/401813140.db2.gz IFHKRGBMGIBDEQ-UHFFFAOYSA-N 1 0 304.350 2.148 10 5 DEBERO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037989907 401919644 /nfs/dbraw/zinc/91/96/44/401919644.db2.gz JJKVMFSEFREQQB-LLVKDONJSA-N 1 0 309.753 2.168 10 5 DEBERO COCC[N@@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000120789089 402002318 /nfs/dbraw/zinc/00/23/18/402002318.db2.gz FOZOEXOUWLFVTK-KEDPEKRHSA-N 1 0 319.405 2.261 10 5 DEBERO C[C@@H]1C[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000123878948 402151512 /nfs/dbraw/zinc/15/15/12/402151512.db2.gz UHIJASXSQHNIKP-KGLIPLIRSA-N 1 0 307.394 2.388 10 5 DEBERO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070069732 402256776 /nfs/dbraw/zinc/25/67/76/402256776.db2.gz SKQVUFUAVGXGGO-LLVKDONJSA-N 1 0 311.769 2.414 10 5 DEBERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000071189291 402271118 /nfs/dbraw/zinc/27/11/18/402271118.db2.gz SNFIXPDDFZKEFW-SNVBAGLBSA-N 1 0 311.769 2.272 10 5 DEBERO CC[N@@H+]1CC[C@@H](CNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000185425128 402351417 /nfs/dbraw/zinc/35/14/17/402351417.db2.gz MGZHPVNGRHRYIX-VOMSXAGXSA-N 1 0 317.389 2.456 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000176974262 402355822 /nfs/dbraw/zinc/35/58/22/402355822.db2.gz BLEWGGKGBJYJTJ-AWEZNQCLSA-N 1 0 305.378 2.080 10 5 DEBERO Cc1c(Br)c(NCC[NH2+]C2CC2)ncc1[N+](=O)[O-] ZINC000165816619 402479015 /nfs/dbraw/zinc/47/90/15/402479015.db2.gz YYIHBRUBCIWBIA-UHFFFAOYSA-N 1 0 315.171 2.225 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247532502 402571418 /nfs/dbraw/zinc/57/14/18/402571418.db2.gz XQAZQPHMQISOKS-TZMCWYRMSA-N 1 0 303.362 2.212 10 5 DEBERO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000188001604 402514884 /nfs/dbraw/zinc/51/48/84/402514884.db2.gz MCBXWCNOHXVTTI-LRDDRELGSA-N 1 0 321.377 2.016 10 5 DEBERO COc1ccc(OCC[NH2+][C@H](C)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000183124290 402741201 /nfs/dbraw/zinc/74/12/01/402741201.db2.gz OYKRQYVDAMUKDF-BXUZGUMPSA-N 1 0 310.350 2.139 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000183389695 402762339 /nfs/dbraw/zinc/76/23/39/402762339.db2.gz HESBYEIXDHSOEN-WMLDXEAASA-N 1 0 319.405 2.056 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000175026111 402772364 /nfs/dbraw/zinc/77/23/64/402772364.db2.gz BHDBLSWECMGHFX-VXGBXAGGSA-N 1 0 309.391 2.355 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000175347290 402798904 /nfs/dbraw/zinc/79/89/04/402798904.db2.gz JWERSIDQHQMBJQ-HNNXBMFYSA-N 1 0 307.394 2.390 10 5 DEBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CC=CCC1 ZINC000280276941 402982729 /nfs/dbraw/zinc/98/27/29/402982729.db2.gz QBKXWDXJSCJBMG-YPKPFQOOSA-N 1 0 315.373 2.376 10 5 DEBERO Cn1cc([C@H](CNc2cccc(F)c2[N+](=O)[O-])[NH+](C)C)cn1 ZINC000301306300 403612978 /nfs/dbraw/zinc/61/29/78/403612978.db2.gz YRJDSXLMBMCHHZ-ZDUSSCGKSA-N 1 0 307.329 2.182 10 5 DEBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)CCC[NH+](C)C)c1 ZINC000553918978 406776987 /nfs/dbraw/zinc/77/69/87/406776987.db2.gz JBLZEZZQTDGYBO-UHFFFAOYSA-N 1 0 323.393 2.082 10 5 DEBERO C[C@@](C[NH3+])(Nc1ncc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000130459638 196084500 /nfs/dbraw/zinc/08/45/00/196084500.db2.gz NYKARRQTTDHYCN-NSHDSACASA-N 1 0 315.171 2.292 10 5 DEBERO C[C@H](CC[NH3+])C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000130584182 196093036 /nfs/dbraw/zinc/09/30/36/196093036.db2.gz BJONJMPGARGJPX-SSDOTTSWSA-N 1 0 316.155 2.281 10 5 DEBERO CC(C)C[C@@H](C[NH3+])C(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-] ZINC000132551403 196264298 /nfs/dbraw/zinc/26/42/98/196264298.db2.gz VJVCXAKLPKWJSS-QMMMGPOBSA-N 1 0 301.293 2.433 10 5 DEBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000133058947 196308777 /nfs/dbraw/zinc/30/87/77/196308777.db2.gz RBGOQNZULOBJDY-LBPRGKRZSA-N 1 0 323.418 2.483 10 5 DEBERO Cc1cc([N+](=O)[O-])c(Cl)cc1OC[C@H]1C[NH2+]C[C@H](C)O1 ZINC000133726282 196331824 /nfs/dbraw/zinc/33/18/24/196331824.db2.gz MDNMJGSERCISRB-VHSXEESVSA-N 1 0 300.742 2.312 10 5 DEBERO COCC[NH+]1CCC(CNc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000301456547 229676753 /nfs/dbraw/zinc/67/67/53/229676753.db2.gz WUUITWZBNAHPGJ-UHFFFAOYSA-N 1 0 308.382 2.069 10 5 DEBERO C[C@@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@@H](C[NH3+])C1 ZINC000261760415 274305030 /nfs/dbraw/zinc/30/50/30/274305030.db2.gz UXIUOCAQILBGHT-RKDXNWHRSA-N 1 0 307.379 2.163 10 5 DEBERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000229605023 274419190 /nfs/dbraw/zinc/41/91/90/274419190.db2.gz QEQFDRCFVBPHLG-XVKPBYJWSA-N 1 0 315.171 2.305 10 5 DEBERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000183127419 274518626 /nfs/dbraw/zinc/51/86/26/274518626.db2.gz SSERVQSTJBICNC-COPLHBTASA-N 1 0 307.350 2.079 10 5 DEBERO CO[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000226419579 523688160 /nfs/dbraw/zinc/68/81/60/523688160.db2.gz AXOHOVWVERAHRU-VXGBXAGGSA-N 1 0 313.785 2.186 10 5 DEBERO Cc1cccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000246731915 524214130 /nfs/dbraw/zinc/21/41/30/524214130.db2.gz APAOPNPTUWEDPC-OCCSQVGLSA-N 1 0 305.378 2.362 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247461977 525563929 /nfs/dbraw/zinc/56/39/29/525563929.db2.gz UMADYQWQXGKBKR-DOMZBBRYSA-N 1 0 305.378 2.362 10 5 DEBERO C/C(=C\C(=O)NCC[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000751495600 639086846 /nfs/dbraw/zinc/08/68/46/639086846.db2.gz SYOMKIGXFWJVDG-VAWYXSNFSA-N 1 0 303.362 2.209 10 5 DEBERO CC[C@@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000126725071 684156810 /nfs/dbraw/zinc/15/68/10/684156810.db2.gz AWBZNYUGESZDBG-UONOGXRCSA-N 1 0 312.391 2.213 10 5 DEBERO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1C[NH2+]CCC1(F)F ZINC000716997064 798354728 /nfs/dbraw/zinc/35/47/28/798354728.db2.gz KOXZENNJRAOPEZ-SSDOTTSWSA-N 1 0 306.700 2.300 10 5 DEBERO [NH3+][C@@H]1CCC2(C[C@H]1Sc1ccc([N+](=O)[O-])cc1)OCCO2 ZINC000081805119 192326936 /nfs/dbraw/zinc/32/69/36/192326936.db2.gz FUVDFGNSJRCJBW-CHWSQXEVSA-N 1 0 310.375 2.310 10 5 DEBERO CCC[NH2+]Cc1ncnn1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000088628879 185260512 /nfs/dbraw/zinc/26/05/12/185260512.db2.gz LSPRZXVDEWVRNQ-UHFFFAOYSA-N 1 0 309.757 2.388 10 5 DEBERO C[NH+](C)C[C@@H]1CSCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000090699882 185310449 /nfs/dbraw/zinc/31/04/49/185310449.db2.gz CYBROMFFNGSXFL-CQSZACIVSA-N 1 0 323.418 2.104 10 5 DEBERO CCCOc1ccc(C[C@H]2[C@@H](O)C3CC[NH+]2CC3)cc1[N+](=O)[O-] ZINC000169964138 197762662 /nfs/dbraw/zinc/76/26/62/197762662.db2.gz MCZOYFDEALUEHA-RDJZCZTQSA-N 1 0 320.389 2.381 10 5 DEBERO CC(C)(C)[NH2+]C[C@H](O)COc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000123612604 185825199 /nfs/dbraw/zinc/82/51/99/185825199.db2.gz CWWXSUFSAVUTIF-VIFPVBQESA-N 1 0 302.758 2.376 10 5 DEBERO C[NH2+][C@H](C)CCCCS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000083984776 192394251 /nfs/dbraw/zinc/39/42/51/192394251.db2.gz ZHESSEBCGADWEM-LLVKDONJSA-N 1 0 300.380 2.147 10 5 DEBERO C[C@H]1C[NH2+]C[C@H](COc2cc(F)c(Cl)cc2[N+](=O)[O-])O1 ZINC000133638828 186002054 /nfs/dbraw/zinc/00/20/54/186002054.db2.gz RNIQNLMTLSAENN-JGVFFNPUSA-N 1 0 304.705 2.143 10 5 DEBERO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173345557 186179068 /nfs/dbraw/zinc/17/90/68/186179068.db2.gz SWHNOPHXMPBXEE-CJNGLKHVSA-N 1 0 307.394 2.092 10 5 DEBERO [NH3+]C[C@@H]1CC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000382416984 356674668 /nfs/dbraw/zinc/67/46/68/356674668.db2.gz HWKQZJCONMYPAL-APPZFPTMSA-N 1 0 315.171 2.292 10 5 DEBERO [NH3+]C[C@@H]1CCC[C@H]1Oc1ncc([N+](=O)[O-])cc1Br ZINC000093434588 193251403 /nfs/dbraw/zinc/25/14/03/193251403.db2.gz SRAZTWYLJCYFEF-OIBJUYFYSA-N 1 0 316.155 2.259 10 5 DEBERO C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000093520342 193263035 /nfs/dbraw/zinc/26/30/35/193263035.db2.gz SRTADNQPZWZVMW-SNVBAGLBSA-N 1 0 300.380 2.069 10 5 DEBERO CC[NH2+][C@]1(C(N)=O)CC[C@@H](Sc2ccccc2[N+](=O)[O-])C1 ZINC000093848703 193317934 /nfs/dbraw/zinc/31/79/34/193317934.db2.gz AQHHUUBMYDZNRC-QMTHXVAHSA-N 1 0 309.391 2.073 10 5 DEBERO C[N@@H+]1CC[C@@H](Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000094188010 193348098 /nfs/dbraw/zinc/34/80/98/193348098.db2.gz CRBKCIAJSUVIHB-SECBINFHSA-N 1 0 300.156 2.473 10 5 DEBERO O=[N+]([O-])c1nn(CC[C@H]2CCCC[NH2+]2)cc1Br ZINC000043499187 183367299 /nfs/dbraw/zinc/36/72/99/183367299.db2.gz ZKIDCQXCNOCTFW-MRVPVSSYSA-N 1 0 303.160 2.086 10 5 DEBERO [NH3+]C[C@@H]1CCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159500737 197358652 /nfs/dbraw/zinc/35/86/52/197358652.db2.gz WTLXNOUEJNHDKU-JTQLQIEISA-N 1 0 314.183 2.280 10 5 DEBERO CC[C@@](C)([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159432722 197353222 /nfs/dbraw/zinc/35/32/22/197353222.db2.gz NXFMEVJJOOOOPZ-LLVKDONJSA-N 1 0 316.155 2.423 10 5 DEBERO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000109819188 194289507 /nfs/dbraw/zinc/28/95/07/194289507.db2.gz KKNMWOYMLLOYAY-INIZCTEOSA-N 1 0 319.405 2.282 10 5 DEBERO O=[N+]([O-])c1cc(C[NH2+]CCCN2CCOCC2)ccc1Cl ZINC000061002791 184159735 /nfs/dbraw/zinc/15/97/35/184159735.db2.gz FSCSWCGEVGWMQT-UHFFFAOYSA-N 1 0 313.785 2.060 10 5 DEBERO O=[N+]([O-])c1cccc(OCCN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000061040939 184160159 /nfs/dbraw/zinc/16/01/59/184160159.db2.gz BOOQDKHLYXSIGL-UHFFFAOYSA-N 1 0 305.378 2.144 10 5 DEBERO O=[N+]([O-])c1ccccc1OCCN1CCC[N@@H+](C2CC2)CC1 ZINC000061040795 184160552 /nfs/dbraw/zinc/16/05/52/184160552.db2.gz CNPCUWGVDHPSFD-UHFFFAOYSA-N 1 0 305.378 2.144 10 5 DEBERO C[NH2+][C@@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000158797089 197302258 /nfs/dbraw/zinc/30/22/58/197302258.db2.gz DYFZRLUOWZEBFL-LBPRGKRZSA-N 1 0 312.391 2.147 10 5 DEBERO COc1cc(C[NH2+]CCOCC2CCC2)c([N+](=O)[O-])cc1O ZINC000557555986 291869777 /nfs/dbraw/zinc/86/97/77/291869777.db2.gz JVVYUZMYAOKRCW-UHFFFAOYSA-N 1 0 310.350 2.215 10 5 DEBERO O=[N+]([O-])c1cccc(Cl)c1C[NH2+]C1CCS(=O)CC1 ZINC000158160376 197248287 /nfs/dbraw/zinc/24/82/87/197248287.db2.gz WTBJWJKBYZZDKQ-UHFFFAOYSA-N 1 0 302.783 2.249 10 5 DEBERO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cccc(Cl)c1[N+](=O)[O-] ZINC000155969775 197077556 /nfs/dbraw/zinc/07/75/56/197077556.db2.gz CFTPRHZETHGGBK-LBPRGKRZSA-N 1 0 309.753 2.072 10 5 DEBERO Cc1cc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000193724633 145089573 /nfs/dbraw/zinc/08/95/73/145089573.db2.gz JCFCTQLHTHDSGO-ZDUSSCGKSA-N 1 0 304.350 2.215 10 5 DEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000246838741 145116675 /nfs/dbraw/zinc/11/66/75/145116675.db2.gz BHDBLSWECMGHFX-RYUDHWBXSA-N 1 0 309.391 2.355 10 5 DEBERO Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000247351769 145134718 /nfs/dbraw/zinc/13/47/18/145134718.db2.gz JSCJQBJYBCVULI-WCQYABFASA-N 1 0 305.378 2.458 10 5 DEBERO COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1[N+](=O)[O-] ZINC000261906571 145239914 /nfs/dbraw/zinc/23/99/14/145239914.db2.gz PNJJSDUEVFFVDX-DRZSPHRISA-N 1 0 319.361 2.463 10 5 DEBERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000286396869 286095237 /nfs/dbraw/zinc/09/52/37/286095237.db2.gz NKFZKBINXWTCJM-KBPBESRZSA-N 1 0 323.368 2.423 10 5 DEBERO C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000127286643 401727329 /nfs/dbraw/zinc/72/73/29/401727329.db2.gz HOCCOTCOFUYYEA-NXEZZACHSA-N 1 0 311.769 2.413 10 5 DEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000076479641 401796089 /nfs/dbraw/zinc/79/60/89/401796089.db2.gz OOILRQSSAGRLGB-DOMZBBRYSA-N 1 0 305.378 2.397 10 5 DEBERO CC(C)NC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130029765 401816031 /nfs/dbraw/zinc/81/60/31/401816031.db2.gz NZKLVRZQJLQPKV-UHFFFAOYSA-N 1 0 305.378 2.474 10 5 DEBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000079670092 401879090 /nfs/dbraw/zinc/87/90/90/401879090.db2.gz RYBQVPVSIXMWHI-CQSZACIVSA-N 1 0 322.409 2.370 10 5 DEBERO O=[N+]([O-])c1ccc2nc(OCC[C@H]3CCCC[NH2+]3)cnc2c1 ZINC000095092009 402025843 /nfs/dbraw/zinc/02/58/43/402025843.db2.gz JWHABWUVAYCQJH-LLVKDONJSA-N 1 0 302.334 2.449 10 5 DEBERO C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000151324934 402030080 /nfs/dbraw/zinc/03/00/80/402030080.db2.gz RSIJEJISTBNEPW-CZUORRHYSA-N 1 0 307.394 2.092 10 5 DEBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000066562071 402136698 /nfs/dbraw/zinc/13/66/98/402136698.db2.gz ADQHVUUECQZTSD-LBPRGKRZSA-N 1 0 305.378 2.456 10 5 DEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccncc2[N+](=O)[O-])[C@H](C)C1 ZINC000124647557 402189813 /nfs/dbraw/zinc/18/98/13/402189813.db2.gz ZLJNTNAGSYQLMO-YPMHNXCESA-N 1 0 321.381 2.184 10 5 DEBERO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000124663129 402191424 /nfs/dbraw/zinc/19/14/24/402191424.db2.gz DGQNCTACVCSXQF-NWDGAFQWSA-N 1 0 321.377 2.158 10 5 DEBERO C[C@H]1C[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000124015984 402159900 /nfs/dbraw/zinc/15/99/00/402159900.db2.gz UEWPZUDCWSMFKD-DZGCQCFKSA-N 1 0 307.394 2.388 10 5 DEBERO C[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000108333356 402250696 /nfs/dbraw/zinc/25/06/96/402250696.db2.gz QBEUXLCDHHIMTQ-NSHDSACASA-N 1 0 316.361 2.148 10 5 DEBERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000071189300 402271056 /nfs/dbraw/zinc/27/10/56/402271056.db2.gz ZEYBHBJPLRIUMS-JTQLQIEISA-N 1 0 311.769 2.272 10 5 DEBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000184754763 402298033 /nfs/dbraw/zinc/29/80/33/402298033.db2.gz WYWIKKCGMMUWLV-GOEBONIOSA-N 1 0 319.405 2.326 10 5 DEBERO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000237333522 402404816 /nfs/dbraw/zinc/40/48/16/402404816.db2.gz UPNPIHPXKPEFSY-LLVKDONJSA-N 1 0 323.418 2.436 10 5 DEBERO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162229388 402414128 /nfs/dbraw/zinc/41/41/28/402414128.db2.gz VOTKOZODKJMNHD-DTWKUNHWSA-N 1 0 317.183 2.464 10 5 DEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186308372 402419878 /nfs/dbraw/zinc/41/98/78/402419878.db2.gz PHFXSMKLOYXJMI-GFCCVEGCSA-N 1 0 320.393 2.293 10 5 DEBERO Cc1c(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cccc1[N+](=O)[O-] ZINC000186552178 402441304 /nfs/dbraw/zinc/44/13/04/402441304.db2.gz ONFSJVBPXFAGLK-GFCCVEGCSA-N 1 0 303.362 2.260 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247532496 402571342 /nfs/dbraw/zinc/57/13/42/402571342.db2.gz XQAZQPHMQISOKS-OCCSQVGLSA-N 1 0 303.362 2.212 10 5 DEBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170859993 402533597 /nfs/dbraw/zinc/53/35/97/402533597.db2.gz QETSHBXUXRZJQO-WCQYABFASA-N 1 0 323.418 2.238 10 5 DEBERO COc1cccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000248873020 402612321 /nfs/dbraw/zinc/61/23/21/402612321.db2.gz PMYOKGYQSMNLRA-DGCLKSJQSA-N 1 0 321.377 2.062 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255494688 402688950 /nfs/dbraw/zinc/68/89/50/402688950.db2.gz DYASIGDFMLRXCV-XHTKRDSESA-N 1 0 315.373 2.303 10 5 DEBERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192565621 402737698 /nfs/dbraw/zinc/73/76/98/402737698.db2.gz LYLFFGGALYDDEL-NSHDSACASA-N 1 0 309.366 2.064 10 5 DEBERO CNC(=O)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183361846 402759945 /nfs/dbraw/zinc/75/99/45/402759945.db2.gz MQEKPJWTPBSQAN-UHFFFAOYSA-N 1 0 305.378 2.251 10 5 DEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000194918204 402822924 /nfs/dbraw/zinc/82/29/24/402822924.db2.gz AXHXQVMNHYMWLF-GFCCVEGCSA-N 1 0 308.382 2.004 10 5 DEBERO C[C@@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)CCO1 ZINC000301068814 403584987 /nfs/dbraw/zinc/58/49/87/403584987.db2.gz GFBJSNUKMSZRON-GFCCVEGCSA-N 1 0 323.368 2.423 10 5 DEBERO COc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000301635196 403657469 /nfs/dbraw/zinc/65/74/69/403657469.db2.gz WGQUNPXPSPHIDP-LLVKDONJSA-N 1 0 309.341 2.417 10 5 DEBERO C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000407992504 405085302 /nfs/dbraw/zinc/08/53/02/405085302.db2.gz FKIYWDDGTMBBLK-LBPRGKRZSA-N 1 0 322.361 2.070 10 5 DEBERO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCOC2)ccc1Br ZINC000131375788 196163191 /nfs/dbraw/zinc/16/31/91/196163191.db2.gz PNEVREIAXNMRBK-VIFPVBQESA-N 1 0 301.140 2.236 10 5 DEBERO [NH3+]C[C@@H]1CCCN1c1cc(Br)ccc1[N+](=O)[O-] ZINC000132026495 196219442 /nfs/dbraw/zinc/21/94/42/196219442.db2.gz HAYRHGLFGHCSRY-VIFPVBQESA-N 1 0 300.156 2.285 10 5 DEBERO C[NH2+]C1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000133324645 196330662 /nfs/dbraw/zinc/33/06/62/196330662.db2.gz ZWWDQBHDNAXOAT-UHFFFAOYSA-N 1 0 311.769 2.462 10 5 DEBERO Cc1cc([N+](=O)[O-])c(Cl)cc1OC[C@H]1C[NH2+]C[C@@H](C)O1 ZINC000133726670 196332589 /nfs/dbraw/zinc/33/25/89/196332589.db2.gz MDNMJGSERCISRB-NXEZZACHSA-N 1 0 300.742 2.312 10 5 DEBERO C[C@@H]1C[NH2+]C[C@H](COc2ccc([N+](=O)[O-])cc2C(F)F)O1 ZINC000133765575 196334858 /nfs/dbraw/zinc/33/48/58/196334858.db2.gz HEIKCZVQMCNQPA-PSASIEDQSA-N 1 0 302.277 2.288 10 5 DEBERO C[NH+](C)CCCNc1cc(Nc2ccccc2[N+](=O)[O-])ncn1 ZINC000584635811 337376245 /nfs/dbraw/zinc/37/62/45/337376245.db2.gz YXAKUVFNLCWXEI-UHFFFAOYSA-N 1 0 316.365 2.492 10 5 DEBERO C[NH2+][C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2Br)C1 ZINC000234466717 536377702 /nfs/dbraw/zinc/37/77/02/536377702.db2.gz BQXQYSQWHBPCDI-SECBINFHSA-N 1 0 314.183 2.464 10 5 DEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247312391 525457842 /nfs/dbraw/zinc/45/78/42/525457842.db2.gz LZZYUIFBWKROIC-BXUZGUMPSA-N 1 0 321.377 2.062 10 5 DEBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249430457 526084419 /nfs/dbraw/zinc/08/44/19/526084419.db2.gz YYLDSJVZZRBHGY-UONOGXRCSA-N 1 0 321.421 2.433 10 5 DEBERO CCc1nn(C)c(NCCC2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000361001963 536181236 /nfs/dbraw/zinc/18/12/36/536181236.db2.gz KLVHSIIISUQZOC-UHFFFAOYSA-N 1 0 309.414 2.425 10 5 DEBERO CCc1nn(C)c(NCc2ccc3c(c2)C[NH2+]C3)c1[N+](=O)[O-] ZINC000262571278 536181833 /nfs/dbraw/zinc/18/18/33/536181833.db2.gz XMGIXHLPWKEIBG-UHFFFAOYSA-N 1 0 301.350 2.106 10 5 DEBERO C/C(=C\C(=O)N[C@H](C)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000752358963 639175580 /nfs/dbraw/zinc/17/55/80/639175580.db2.gz BKLDMFFAYCJIOK-XZHRJIJLSA-N 1 0 305.378 2.455 10 5 DEBERO Cc1cc(F)cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000133536385 684220817 /nfs/dbraw/zinc/22/08/17/684220817.db2.gz QVAMFKRQDKOODF-AAEUAGOBSA-N 1 0 321.352 2.351 10 5 DEBERO [NH3+][C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000717154041 799256632 /nfs/dbraw/zinc/25/66/32/799256632.db2.gz VKJOPHVXDPMJFD-RKDXNWHRSA-N 1 0 309.313 2.368 10 5 DEBERO CCC[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000081902688 192336131 /nfs/dbraw/zinc/33/61/31/192336131.db2.gz BTACREVTTPPSTM-SMDDNHRTSA-N 1 0 314.407 2.459 10 5 DEBERO CCC[C@@H]([NH2+][C@H](C)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000081902690 192336776 /nfs/dbraw/zinc/33/67/76/192336776.db2.gz BTACREVTTPPSTM-BXUZGUMPSA-N 1 0 314.407 2.459 10 5 DEBERO C[NH+](C)CC1CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000181247024 199271143 /nfs/dbraw/zinc/27/11/43/199271143.db2.gz XEIUPIRCDDJIGW-UHFFFAOYSA-N 1 0 320.393 2.027 10 5 DEBERO CCC[C@@H]([NH3+])[C@H](CC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942869 192343853 /nfs/dbraw/zinc/34/38/53/192343853.db2.gz BNKJMXOEKJVZRP-PWSUYJOCSA-N 1 0 300.380 2.275 10 5 DEBERO Cc1nn(C)c(N2CCC([N@H+]3CCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000154942162 282174438 /nfs/dbraw/zinc/17/44/38/282174438.db2.gz FSLJUHJHOYKHPW-NSHDSACASA-N 1 0 307.398 2.090 10 5 DEBERO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c(C(F)(F)F)c1 ZINC000090323076 185291063 /nfs/dbraw/zinc/29/10/63/185291063.db2.gz NUDQHPKTMJEOQC-DTORHVGOSA-N 1 0 301.268 2.269 10 5 DEBERO Cc1ccc(C[NH+]2CCC(n3cncn3)CC2)cc1[N+](=O)[O-] ZINC000092647778 185331208 /nfs/dbraw/zinc/33/12/08/185331208.db2.gz OQTBEVJTEQMSDV-UHFFFAOYSA-N 1 0 301.350 2.332 10 5 DEBERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000183127381 199542867 /nfs/dbraw/zinc/54/28/67/199542867.db2.gz SSERVQSTJBICNC-MJVIPROJSA-N 1 0 307.350 2.079 10 5 DEBERO C[C@@H]1CC[C@H](C[NH3+])CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000070180796 190868564 /nfs/dbraw/zinc/86/85/64/190868564.db2.gz ZJORIGVFIBSOQL-NXEZZACHSA-N 1 0 311.769 2.448 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171885448 198000821 /nfs/dbraw/zinc/00/08/21/198000821.db2.gz IXRFWYFNGAWXHI-ZDUSSCGKSA-N 1 0 304.350 2.215 10 5 DEBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173100927 198184610 /nfs/dbraw/zinc/18/46/10/198184610.db2.gz YBSQWKCTUPEVCF-ZDUSSCGKSA-N 1 0 305.378 2.128 10 5 DEBERO Cc1cc(N(C)[C@H]2CC[NH2+]C2)c(Br)cc1[N+](=O)[O-] ZINC000234310849 356287071 /nfs/dbraw/zinc/28/70/71/356287071.db2.gz DAHVQHIJLABZJV-VIFPVBQESA-N 1 0 314.183 2.464 10 5 DEBERO [NH3+]C[C@@H]1CC[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000382416989 356675007 /nfs/dbraw/zinc/67/50/07/356675007.db2.gz HWKQZJCONMYPAL-VXNVDRBHSA-N 1 0 315.171 2.292 10 5 DEBERO [NH3+][C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000382450780 356675295 /nfs/dbraw/zinc/67/52/95/356675295.db2.gz DZTSOWHTYYRVHJ-JGVFFNPUSA-N 1 0 315.171 2.434 10 5 DEBERO COC[C@@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)OC ZINC000594954147 358367493 /nfs/dbraw/zinc/36/74/93/358367493.db2.gz CHNNMGCRRYVZCO-GFCCVEGCSA-N 1 0 302.758 2.389 10 5 DEBERO C[NH+](C)CCn1cc(NC/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000608982785 361275627 /nfs/dbraw/zinc/27/56/27/361275627.db2.gz YGMBELQGSBUXEV-ALCCZGGFSA-N 1 0 315.377 2.478 10 5 DEBERO CC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545425 243096542 /nfs/dbraw/zinc/09/65/42/243096542.db2.gz HGQMCZDUTFSAGC-HOCLYGCPSA-N 1 0 306.362 2.114 10 5 DEBERO NC(=O)[C@@]1([NH3+])CCC[C@@H]1CCSc1ccccc1[N+](=O)[O-] ZINC000093627082 193276455 /nfs/dbraw/zinc/27/64/55/193276455.db2.gz ZFMAXHWGWSBBDU-QMTHXVAHSA-N 1 0 309.391 2.060 10 5 DEBERO C[NH2+][C@]1(C(N)=O)CCC[C@H](Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000093776236 193304376 /nfs/dbraw/zinc/30/43/76/193304376.db2.gz WSTMMVDSJCJIAK-GXTWGEPZSA-N 1 0 309.391 2.073 10 5 DEBERO C[C@H]([NH3+])CCC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094188553 193347913 /nfs/dbraw/zinc/34/79/13/193347913.db2.gz RDCNFAKDZGHFNP-ZETCQYMHSA-N 1 0 316.155 2.423 10 5 DEBERO O=[N+]([O-])c1cc(Br)cnc1NCCC[NH2+]C1CC1 ZINC000040713451 183121688 /nfs/dbraw/zinc/12/16/88/183121688.db2.gz JJBLZXSKEDQDQM-UHFFFAOYSA-N 1 0 315.171 2.306 10 5 DEBERO CC[C@@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000106103362 194185341 /nfs/dbraw/zinc/18/53/41/194185341.db2.gz WUOBVLSETJGSAG-IJEWVQPXSA-N 1 0 321.421 2.433 10 5 DEBERO C[NH+](C)C[C@@H]1CCCN1C(=S)Nc1ccccc1[N+](=O)[O-] ZINC000109670983 194278269 /nfs/dbraw/zinc/27/82/69/194278269.db2.gz KBMGRITUCJGGSU-NSHDSACASA-N 1 0 308.407 2.318 10 5 DEBERO COCCOCCC[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000061557087 184174680 /nfs/dbraw/zinc/17/46/80/184174680.db2.gz SMOKXEOTCFBBNX-UHFFFAOYSA-N 1 0 302.758 2.391 10 5 DEBERO [NH3+]CCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000062839185 184255503 /nfs/dbraw/zinc/25/55/03/184255503.db2.gz UEAGCGRXAQNRPC-UHFFFAOYSA-N 1 0 307.331 2.246 10 5 DEBERO [NH3+]CCOc1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000062839114 184255691 /nfs/dbraw/zinc/25/56/91/184255691.db2.gz WEYITYVHZWVKAY-UHFFFAOYSA-N 1 0 307.331 2.246 10 5 DEBERO C[C@H]([NH3+])[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000157028761 197156365 /nfs/dbraw/zinc/15/63/65/197156365.db2.gz KGVULDGLUGHOCJ-BQBZGAKWSA-N 1 0 316.155 2.279 10 5 DEBERO O=[N+]([O-])c1ccc(OCCCN2CC[NH+](C3CC3)CC2)cc1 ZINC000125794918 195786070 /nfs/dbraw/zinc/78/60/70/195786070.db2.gz CXIARUTUGCYQLL-UHFFFAOYSA-N 1 0 305.378 2.144 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188757570 145016935 /nfs/dbraw/zinc/01/69/35/145016935.db2.gz NZARMLMXEPKTCD-UHFFFAOYSA-N 1 0 311.341 2.436 10 5 DEBERO Cc1c(CN2CC[NH2+]C[C@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000261708850 145218898 /nfs/dbraw/zinc/21/88/98/145218898.db2.gz KFDNDGGNHLERCH-KRWDZBQOSA-N 1 0 312.373 2.445 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000126850974 401710832 /nfs/dbraw/zinc/71/08/32/401710832.db2.gz JWZZYJAORQELQE-CQSZACIVSA-N 1 0 317.389 2.461 10 5 DEBERO CC[NH+](CC)CCC[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000128199747 401766957 /nfs/dbraw/zinc/76/69/57/401766957.db2.gz GOKQGEBUSVUQCJ-LLVKDONJSA-N 1 0 323.397 2.011 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1ccccc1[N+](=O)[O-] ZINC000113268534 401773814 /nfs/dbraw/zinc/77/38/14/401773814.db2.gz RMRDEYIYQIDUHU-ZIAGYGMSSA-N 1 0 305.378 2.142 10 5 DEBERO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916636 401918366 /nfs/dbraw/zinc/91/83/66/401918366.db2.gz QBKNSBUGQUCICB-PWSUYJOCSA-N 1 0 309.391 2.261 10 5 DEBERO CN1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1=O ZINC000152354621 402091531 /nfs/dbraw/zinc/09/15/31/402091531.db2.gz MHIKUJMKRKAXKE-HUUCEWRRSA-N 1 0 317.389 2.126 10 5 DEBERO C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000122752687 402093130 /nfs/dbraw/zinc/09/31/30/402093130.db2.gz JGXRHOVLJPUNEZ-WDEREUQCSA-N 1 0 309.341 2.289 10 5 DEBERO COc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123178706 402114804 /nfs/dbraw/zinc/11/48/04/402114804.db2.gz MIFIDXNXIPDBAG-WCQYABFASA-N 1 0 321.377 2.158 10 5 DEBERO C[C@H]1C[C@H](N(C)C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000153030830 402122834 /nfs/dbraw/zinc/12/28/34/402122834.db2.gz XERHRVQSGCZCOJ-DZGCQCFKSA-N 1 0 319.405 2.469 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000154657955 402223985 /nfs/dbraw/zinc/22/39/85/402223985.db2.gz AZJJCVCQSHIXHD-MRXNPFEDSA-N 1 0 319.405 2.470 10 5 DEBERO CC[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000107888884 402242886 /nfs/dbraw/zinc/24/28/86/402242886.db2.gz VAINQKINPLUNSQ-LLVKDONJSA-N 1 0 316.361 2.148 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000176989289 402357384 /nfs/dbraw/zinc/35/73/84/402357384.db2.gz UFKIKXXWGZPVOQ-CYBMUJFWSA-N 1 0 321.377 2.160 10 5 DEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186308349 402419819 /nfs/dbraw/zinc/41/98/19/402419819.db2.gz PHFXSMKLOYXJMI-LBPRGKRZSA-N 1 0 320.393 2.293 10 5 DEBERO Cc1cccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000246956925 402550653 /nfs/dbraw/zinc/55/06/53/402550653.db2.gz DGZMIFMEXIOFQP-CHWSQXEVSA-N 1 0 303.362 2.212 10 5 DEBERO Cc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000247073697 402556463 /nfs/dbraw/zinc/55/64/63/402556463.db2.gz HPHPOBAVRKFEKE-TZMCWYRMSA-N 1 0 303.362 2.212 10 5 DEBERO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000191186083 402649218 /nfs/dbraw/zinc/64/92/18/402649218.db2.gz VKWTVDAWCCDOAO-KBMXLJTQSA-N 1 0 318.373 2.411 10 5 DEBERO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000251688378 402649394 /nfs/dbraw/zinc/64/93/94/402649394.db2.gz JJOMLYWIHKUOQQ-IUODEOHRSA-N 1 0 321.377 2.280 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000183362006 402759963 /nfs/dbraw/zinc/75/99/63/402759963.db2.gz MIULSTDUVYAONR-UHFFFAOYSA-N 1 0 319.405 2.200 10 5 DEBERO CC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000175998961 402847162 /nfs/dbraw/zinc/84/71/62/402847162.db2.gz WJMQMKFFAHPYSP-HUUCEWRRSA-N 1 0 320.393 2.439 10 5 DEBERO C[NH+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000301340223 403617671 /nfs/dbraw/zinc/61/76/71/403617671.db2.gz FQCJKDDAEYGBMF-SNVBAGLBSA-N 1 0 314.183 2.498 10 5 DEBERO COc1cc(N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000301635197 403657398 /nfs/dbraw/zinc/65/73/98/403657398.db2.gz WGQUNPXPSPHIDP-NSHDSACASA-N 1 0 309.341 2.417 10 5 DEBERO CCOc1ccc(C(=O)NC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000457216513 405756841 /nfs/dbraw/zinc/75/68/41/405756841.db2.gz GBWCYAUOFVZNHI-UHFFFAOYSA-N 1 0 309.366 2.064 10 5 DEBERO C[NH2+][C@@H]1CCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000129156324 196024273 /nfs/dbraw/zinc/02/42/73/196024273.db2.gz RXWINXNKLGHKLG-SECBINFHSA-N 1 0 300.156 2.155 10 5 DEBERO C[C@@H](CC[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[S@@](C)=O ZINC000129455933 196050642 /nfs/dbraw/zinc/05/06/42/196050642.db2.gz JBPCVCPIALWDTE-UGZDLDLSSA-N 1 0 304.799 2.495 10 5 DEBERO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC([NH+]2CCCC2)CC1 ZINC000133050221 196307767 /nfs/dbraw/zinc/30/77/67/196307767.db2.gz AMGKVVJJGYAUON-UHFFFAOYSA-N 1 0 321.352 2.434 10 5 DEBERO CC1=CC[N@H+](CCNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000358340569 424822009 /nfs/dbraw/zinc/82/20/09/424822009.db2.gz GDLIJDBRZQKXPC-UHFFFAOYSA-N 1 0 313.361 2.602 10 5 DEBERO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000248873209 277374945 /nfs/dbraw/zinc/37/49/45/277374945.db2.gz VKWTVDAWCCDOAO-BPUTZDHNSA-N 1 0 318.373 2.411 10 5 DEBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000193200630 528500928 /nfs/dbraw/zinc/50/09/28/528500928.db2.gz BWYMODVFRFZESZ-CQSZACIVSA-N 1 0 322.409 2.370 10 5 DEBERO [NH3+]C[C@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000313344342 633514126 /nfs/dbraw/zinc/51/41/26/633514126.db2.gz GDZRIUYBYFTGBC-VIFPVBQESA-N 1 0 320.176 2.456 10 5 DEBERO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1CCOC1 ZINC000162205148 636561310 /nfs/dbraw/zinc/56/13/10/636561310.db2.gz RESSTZVABHGMLJ-JTQLQIEISA-N 1 0 301.140 2.236 10 5 DEBERO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCOC1 ZINC000162205049 684330092 /nfs/dbraw/zinc/33/00/92/684330092.db2.gz RESSTZVABHGMLJ-SNVBAGLBSA-N 1 0 301.140 2.236 10 5 DEBERO [NH3+][C@@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000081942798 192344159 /nfs/dbraw/zinc/34/41/59/192344159.db2.gz OPORWDYDNZCCPN-LBPRGKRZSA-N 1 0 306.343 2.069 10 5 DEBERO C[NH2+]C[C@H]1CCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000087834894 185232869 /nfs/dbraw/zinc/23/28/69/185232869.db2.gz ZVKICTHEKHQYMW-SECBINFHSA-N 1 0 314.183 2.403 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000177380717 282205988 /nfs/dbraw/zinc/20/59/88/282205988.db2.gz QQEQCKMRTNUUMR-OAHLLOKOSA-N 1 0 320.393 2.221 10 5 DEBERO CCN(c1ccc(Br)cc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000090292190 185289570 /nfs/dbraw/zinc/28/95/70/185289570.db2.gz XMIPVKQQXNZRAB-UHFFFAOYSA-N 1 0 300.156 2.155 10 5 DEBERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090539267 185301689 /nfs/dbraw/zinc/30/16/89/185301689.db2.gz SEMGUIUEZGKBTE-LLVKDONJSA-N 1 0 320.397 2.402 10 5 DEBERO Cc1nn(C)c(Oc2cc([N+](=O)[O-])ccc2Cl)c1C(N)=[NH2+] ZINC000070089187 190857664 /nfs/dbraw/zinc/85/76/64/190857664.db2.gz QHYSWDKACXOKPO-UHFFFAOYSA-N 1 0 309.713 2.366 10 5 DEBERO O=[N+]([O-])c1cc(Cl)c(Cl)cc1OC[C@H]1C[NH2+]CCO1 ZINC000164034833 186146662 /nfs/dbraw/zinc/14/66/62/186146662.db2.gz WNKUORSWERYRSD-SSDOTTSWSA-N 1 0 307.133 2.269 10 5 DEBERO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172120094 198042290 /nfs/dbraw/zinc/04/22/90/198042290.db2.gz DAXJRCKXOJKHSK-CYBMUJFWSA-N 1 0 323.780 2.097 10 5 DEBERO CCSCCC[NH2+]C[C@@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000169346435 355978775 /nfs/dbraw/zinc/97/87/75/355978775.db2.gz SLZQNTOPESLEKY-CYBMUJFWSA-N 1 0 314.407 2.067 10 5 DEBERO Cc1c([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cccc1[N+](=O)[O-] ZINC000180584743 199179628 /nfs/dbraw/zinc/17/96/28/199179628.db2.gz XTGCGISLFOPANI-NWDGAFQWSA-N 1 0 301.350 2.160 10 5 DEBERO NC(=O)[C@@]1([NH3+])CCC[C@H]1CCSc1ccccc1[N+](=O)[O-] ZINC000093627081 193276071 /nfs/dbraw/zinc/27/60/71/193276071.db2.gz ZFMAXHWGWSBBDU-IINYFYTJSA-N 1 0 309.391 2.060 10 5 DEBERO C[NH2+][C@@]1(C(N)=O)CCC[C@H](Sc2ccccc2[N+](=O)[O-])C1 ZINC000093776257 193304544 /nfs/dbraw/zinc/30/45/44/193304544.db2.gz QIUGJTYDAWKVCW-HZMBPMFUSA-N 1 0 309.391 2.073 10 5 DEBERO CCC[C@H](C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000094157160 193347185 /nfs/dbraw/zinc/34/71/85/193347185.db2.gz KRWXPKFLKCXXMY-CYBMUJFWSA-N 1 0 323.349 2.050 10 5 DEBERO CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CC[NH+](C)CC1 ZINC000019998466 182175986 /nfs/dbraw/zinc/17/59/86/182175986.db2.gz BEJDYSUUSHFJDZ-UHFFFAOYSA-N 1 0 311.769 2.414 10 5 DEBERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042428652 183269565 /nfs/dbraw/zinc/26/95/65/183269565.db2.gz DFQXFAXMRWSFEA-GXSJLCMTSA-N 1 0 311.769 2.334 10 5 DEBERO CCOc1ccc(C(=O)N[C@H]2CCC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC000060416581 184149305 /nfs/dbraw/zinc/14/93/05/184149305.db2.gz VFBLYGSEYQCJJK-ZDUSSCGKSA-N 1 0 321.377 2.208 10 5 DEBERO O=C(c1ccc([N+](=O)[O-])s1)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000063189424 184277173 /nfs/dbraw/zinc/27/71/73/184277173.db2.gz XSTHKPVSTDREFE-MNOVXSKESA-N 1 0 309.391 2.403 10 5 DEBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000119834278 195045666 /nfs/dbraw/zinc/04/56/66/195045666.db2.gz MSURZMMSAIAIIO-GFCCVEGCSA-N 1 0 306.366 2.379 10 5 DEBERO O=[N+]([O-])c1ccc2[nH]c(N3CCC([C@H]4CCC[NH2+]4)CC3)nc2c1 ZINC000261745132 285140137 /nfs/dbraw/zinc/14/01/37/285140137.db2.gz OLGIINNNIGUNIL-CYBMUJFWSA-N 1 0 315.377 2.440 10 5 DEBERO CN(C[C@H]1C[NH2+]CCO1)c1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000157818295 197217450 /nfs/dbraw/zinc/21/74/50/197217450.db2.gz IBZCLZKORNHWNR-MRVPVSSYSA-N 1 0 320.176 2.326 10 5 DEBERO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000157028457 197156331 /nfs/dbraw/zinc/15/63/31/197156331.db2.gz KGVULDGLUGHOCJ-NKWVEPMBSA-N 1 0 316.155 2.279 10 5 DEBERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000155301944 197041200 /nfs/dbraw/zinc/04/12/00/197041200.db2.gz FYDJQXQMNBPYTC-CYBMUJFWSA-N 1 0 317.345 2.091 10 5 DEBERO CCOCC[N@@H+]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000120875114 195255325 /nfs/dbraw/zinc/25/53/25/195255325.db2.gz GRAJUMWQNVMUCS-HNNXBMFYSA-N 1 0 321.421 2.446 10 5 DEBERO [NH3+]CCCC[NH2+]Cc1cc(Br)ccc1[N+](=O)[O-] ZINC000122072572 195397037 /nfs/dbraw/zinc/39/70/37/195397037.db2.gz IGYVIBILFIPNQW-UHFFFAOYSA-N 1 0 302.172 2.186 10 5 DEBERO [NH3+][C@@H](CCNC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000124565978 195654756 /nfs/dbraw/zinc/65/47/56/195654756.db2.gz IIARMMJOAVNOFO-LBPRGKRZSA-N 1 0 305.359 2.476 10 5 DEBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(CCO)CC1 ZINC000188063137 533448567 /nfs/dbraw/zinc/44/85/67/533448567.db2.gz IJKLNKVRQYIONX-LBPRGKRZSA-N 1 0 321.377 2.064 10 5 DEBERO CC(C)[C@H]([NH3+])CNc1c(Br)cncc1[N+](=O)[O-] ZINC000232719995 132554045 /nfs/dbraw/zinc/55/40/45/132554045.db2.gz OPJSTDUNSLUVBW-MRVPVSSYSA-N 1 0 303.160 2.148 10 5 DEBERO C[C@@H](C(=O)N1CC[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000188610967 145014406 /nfs/dbraw/zinc/01/44/06/145014406.db2.gz MJPMPAUKMGIQQQ-LLVKDONJSA-N 1 0 321.352 2.144 10 5 DEBERO O=[N+]([O-])c1ccc2oc(CN3CC[N@@H+]4CCC[C@H]4C3)nc2c1 ZINC000246628452 145108579 /nfs/dbraw/zinc/10/85/79/145108579.db2.gz ZFJFPQCAYSBELG-LBPRGKRZSA-N 1 0 302.334 2.016 10 5 DEBERO CCOCC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000247552665 145140940 /nfs/dbraw/zinc/14/09/40/145140940.db2.gz FDXYFYFGDQDWLM-CQSZACIVSA-N 1 0 307.394 2.137 10 5 DEBERO C[C@H]1C[C@@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCO1 ZINC000408358947 148594294 /nfs/dbraw/zinc/59/42/94/148594294.db2.gz RHEGVOJZERJZBS-STQMWFEESA-N 1 0 308.382 2.243 10 5 DEBERO CC[NH+](CC)CCC[C@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000128199999 401767034 /nfs/dbraw/zinc/76/70/34/401767034.db2.gz GOKQGEBUSVUQCJ-NSHDSACASA-N 1 0 323.397 2.011 10 5 DEBERO Cn1cc([C@@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000116317418 401849091 /nfs/dbraw/zinc/84/90/91/401849091.db2.gz MTNJCWXWTDNOSY-CQSZACIVSA-N 1 0 300.362 2.360 10 5 DEBERO CCOC(=O)c1ccnc(N[C@@H]2CCC[N@H+](CC)C2)c1[N+](=O)[O-] ZINC000133441968 401886213 /nfs/dbraw/zinc/88/62/13/401886213.db2.gz XUSQSZGTMGQCKU-LLVKDONJSA-N 1 0 322.365 2.063 10 5 DEBERO C[C@@H](CO)[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000122350882 402074430 /nfs/dbraw/zinc/07/44/30/402074430.db2.gz JXWKAIDUUABEKM-QMMMGPOBSA-N 1 0 303.156 2.170 10 5 DEBERO COc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123178943 402114828 /nfs/dbraw/zinc/11/48/28/402114828.db2.gz MIFIDXNXIPDBAG-YPMHNXCESA-N 1 0 321.377 2.158 10 5 DEBERO Cc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000123400451 402125959 /nfs/dbraw/zinc/12/59/59/402125959.db2.gz BGSDMZIBINRIME-CHWSQXEVSA-N 1 0 305.378 2.458 10 5 DEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160478106 402346783 /nfs/dbraw/zinc/34/67/83/402346783.db2.gz RCYRCEDCDMBTAW-CYBMUJFWSA-N 1 0 320.393 2.148 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177034803 402362407 /nfs/dbraw/zinc/36/24/07/402362407.db2.gz TZDUFLRMWJEMBR-CQSZACIVSA-N 1 0 305.378 2.460 10 5 DEBERO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168629076 402497310 /nfs/dbraw/zinc/49/73/10/402497310.db2.gz NWJVAMNKVROTHA-LLVKDONJSA-N 1 0 311.769 2.414 10 5 DEBERO O=[N+]([O-])c1ccc(OCCCN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000178635349 402520289 /nfs/dbraw/zinc/52/02/89/402520289.db2.gz JAKHALCGQRFUJX-OAHLLOKOSA-N 1 0 305.378 2.144 10 5 DEBERO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000171705833 402612475 /nfs/dbraw/zinc/61/24/75/402612475.db2.gz NQTXPEDJNNDMPF-HNNXBMFYSA-N 1 0 301.350 2.066 10 5 DEBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255390279 402686784 /nfs/dbraw/zinc/68/67/84/402686784.db2.gz CMNXQISERMRHJF-XHTKRDSESA-N 1 0 317.389 2.453 10 5 DEBERO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000183128412 402741754 /nfs/dbraw/zinc/74/17/54/402741754.db2.gz TYAVHASAJSXSBH-BXUZGUMPSA-N 1 0 307.350 2.081 10 5 DEBERO CN(C)c1cc[nH+]cc1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000183532958 402774745 /nfs/dbraw/zinc/77/47/45/402774745.db2.gz MSEZPBAPNHVJTG-UHFFFAOYSA-N 1 0 314.345 2.028 10 5 DEBERO CC(C)[N@@H+]1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000263705746 402793365 /nfs/dbraw/zinc/79/33/65/402793365.db2.gz MHPHZGDGNLBAGY-GFCCVEGCSA-N 1 0 318.377 2.374 10 5 DEBERO Cc1ccc(N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000301711417 403667789 /nfs/dbraw/zinc/66/77/89/403667789.db2.gz IBVQJDPBINSXFK-LSDHHAIUSA-N 1 0 319.405 2.329 10 5 DEBERO CCOc1ccc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000358135180 404754883 /nfs/dbraw/zinc/75/48/83/404754883.db2.gz URFDHGNJYVKCFP-GFCCVEGCSA-N 1 0 323.393 2.452 10 5 DEBERO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[NH+]2CCC1CC2 ZINC000408268695 405157306 /nfs/dbraw/zinc/15/73/06/405157306.db2.gz CUJLSURYQVCEMS-UHFFFAOYSA-N 1 0 308.313 2.046 10 5 DEBERO Cc1c(CC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000129751831 196073372 /nfs/dbraw/zinc/07/33/72/196073372.db2.gz HTUNBQRWIVSJGS-SWLSCSKDSA-N 1 0 319.405 2.291 10 5 DEBERO COC[C@](C)(CCO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000132558912 196265417 /nfs/dbraw/zinc/26/54/17/196265417.db2.gz OKTPSFBFEPXNKW-ZDUSSCGKSA-N 1 0 302.758 2.125 10 5 DEBERO CN(CCC[NH3+])Cc1ccc([N+](=O)[O-])cc1Br ZINC000133811950 196337192 /nfs/dbraw/zinc/33/71/92/196337192.db2.gz HDVMDBVRXVIZJU-UHFFFAOYSA-N 1 0 302.172 2.138 10 5 DEBERO CC[C@@H]([NH3+])CNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000165822546 273721789 /nfs/dbraw/zinc/72/17/89/273721789.db2.gz NGYPYHBVNHRUTB-SSDOTTSWSA-N 1 0 303.160 2.210 10 5 DEBERO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000120973825 275039927 /nfs/dbraw/zinc/03/99/27/275039927.db2.gz DWBPSPQLOXQQTD-LLCTXKFZSA-N 1 0 317.389 2.015 10 5 DEBERO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000301453202 277822742 /nfs/dbraw/zinc/82/27/42/277822742.db2.gz AUQMNVYNFCZIRH-NSHDSACASA-N 1 0 307.325 2.193 10 5 DEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000246509215 281198453 /nfs/dbraw/zinc/19/84/53/281198453.db2.gz GIZYSCXWYHWHFV-STQMWFEESA-N 1 0 303.362 2.294 10 5 DEBERO COc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000262553458 536831764 /nfs/dbraw/zinc/83/17/64/536831764.db2.gz SUUPNJLKRHPBJW-UMNHJUIQSA-N 1 0 309.341 2.306 10 5 DEBERO C/C(=C\C(=O)N[C@@H](C)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000752358965 639175332 /nfs/dbraw/zinc/17/53/32/639175332.db2.gz BKLDMFFAYCJIOK-YLSINNKHSA-N 1 0 305.378 2.455 10 5 DEBERO C[C@@H](O)C[C@H](C[NH3+])c1ccc(Br)cc1[N+](=O)[O-] ZINC000162834000 197594926 /nfs/dbraw/zinc/59/49/26/197594926.db2.gz FMLCYRBXFOTMNO-HTQZYQBOSA-N 1 0 303.156 2.171 10 5 DEBERO CCC[C@@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH2+]CC ZINC000081942802 192344140 /nfs/dbraw/zinc/34/41/40/192344140.db2.gz DSPXIPQYLYQUMK-NSHDSACASA-N 1 0 300.380 2.147 10 5 DEBERO CCC[NH2+][C@@H]1CCC[C@H]1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942690 192344351 /nfs/dbraw/zinc/34/43/51/192344351.db2.gz HKBSDPLYZRHCEE-DGCLKSJQSA-N 1 0 312.391 2.289 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000189969596 186256754 /nfs/dbraw/zinc/25/67/54/186256754.db2.gz QVLWGSVSMUXCHQ-UHFFFAOYSA-N 1 0 315.377 2.407 10 5 DEBERO Cc1c(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000171886483 198001381 /nfs/dbraw/zinc/00/13/81/198001381.db2.gz GYYXSCPIQASVEE-GFCCVEGCSA-N 1 0 304.350 2.215 10 5 DEBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000077730106 191763774 /nfs/dbraw/zinc/76/37/74/191763774.db2.gz VIBUUXROMKQTGI-ZDUSSCGKSA-N 1 0 323.393 2.066 10 5 DEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCC23CCC3)c1 ZINC000373100525 283141191 /nfs/dbraw/zinc/14/11/91/283141191.db2.gz SDGXKTUBXNDIAM-AWEZNQCLSA-N 1 0 306.362 2.353 10 5 DEBERO C[C@H]([NH3+])C[C@H](C)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000320929727 356447994 /nfs/dbraw/zinc/44/79/94/356447994.db2.gz SGAKFKBQKBIHMU-BQBZGAKWSA-N 1 0 303.160 2.290 10 5 DEBERO C[C@H](C[C@H](C)[NH3+])Nc1c(Br)cncc1[N+](=O)[O-] ZINC000320915831 356448046 /nfs/dbraw/zinc/44/80/46/356448046.db2.gz RHPDVCRLNYCWQC-NKWVEPMBSA-N 1 0 303.160 2.290 10 5 DEBERO O=C(N[C@H]1C[NH+]2CCC1CC2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006224419 181320899 /nfs/dbraw/zinc/32/08/99/181320899.db2.gz TTZLEHRPTBJHKR-LBPRGKRZSA-N 1 0 309.753 2.072 10 5 DEBERO COC[C@](C)(CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000611479869 361606604 /nfs/dbraw/zinc/60/66/04/361606604.db2.gz FPWMFRXLIMCTNC-INIZCTEOSA-N 1 0 320.345 2.342 10 5 DEBERO [NH3+][C@H]1CC[C@H](Oc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093434605 193251530 /nfs/dbraw/zinc/25/15/30/193251530.db2.gz XLWFYQRUPYLERV-XPUUQOCRSA-N 1 0 302.128 2.011 10 5 DEBERO C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000093523174 193262613 /nfs/dbraw/zinc/26/26/13/193262613.db2.gz UTLSFHWBQSVFFP-JTQLQIEISA-N 1 0 300.380 2.069 10 5 DEBERO C[NH2+][C@H]1CCC[C@H]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000093623446 193275598 /nfs/dbraw/zinc/27/55/98/193275598.db2.gz ZXYVFHPZRIQFHJ-FZMZJTMJSA-N 1 0 312.391 2.147 10 5 DEBERO C[NH2+]CCc1nnc(-c2c(F)ccc([N+](=O)[O-])c2F)s1 ZINC000094191297 193348922 /nfs/dbraw/zinc/34/89/22/193348922.db2.gz IWNXNIVCSIWHIL-UHFFFAOYSA-N 1 0 300.290 2.153 10 5 DEBERO CC(C)([NH3+])C(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000040922316 183149108 /nfs/dbraw/zinc/14/91/08/183149108.db2.gz YANFHKANYMSNRL-UHFFFAOYSA-N 1 0 302.128 2.033 10 5 DEBERO O=[N+]([O-])c1cccc(C[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000105798470 194130681 /nfs/dbraw/zinc/13/06/81/194130681.db2.gz AITUYBRRKOYGIA-UHFFFAOYSA-N 1 0 313.361 2.097 10 5 DEBERO CCOCC[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000105835410 194141691 /nfs/dbraw/zinc/14/16/91/194141691.db2.gz BJIKKMFESLDXQP-HNNXBMFYSA-N 1 0 321.421 2.180 10 5 DEBERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000061644471 184180185 /nfs/dbraw/zinc/18/01/85/184180185.db2.gz DOWOJYUPTISBTG-NSHDSACASA-N 1 0 311.769 2.414 10 5 DEBERO C[NH2+]C[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000063167654 184275690 /nfs/dbraw/zinc/27/56/90/184275690.db2.gz ZYTGHVJNSFLEGL-LLVKDONJSA-N 1 0 311.769 2.462 10 5 DEBERO O=[N+]([O-])c1ccc(CO)cc1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000302024311 285116433 /nfs/dbraw/zinc/11/64/33/285116433.db2.gz HAVPVKPZOYLNOO-RRFJBIMHSA-N 1 0 317.389 2.008 10 5 DEBERO [NH3+]C1CC(Oc2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000158815779 197303692 /nfs/dbraw/zinc/30/36/92/197303692.db2.gz NFKLNBOHGBKRAS-UHFFFAOYSA-N 1 0 305.103 2.365 10 5 DEBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3ncnn3C1)CCC2 ZINC000192983424 285144508 /nfs/dbraw/zinc/14/45/08/285144508.db2.gz JBLKRPSCPMPRHD-WFASDCNBSA-N 1 0 313.361 2.168 10 5 DEBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1)[C@H](C)[NH3+] ZINC000157061436 197158849 /nfs/dbraw/zinc/15/88/49/197158849.db2.gz UTXZUCIFQQVWMC-RQJHMYQMSA-N 1 0 316.155 2.279 10 5 DEBERO Cc1cc(F)cc(C(=O)NCC[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC000237658334 291913782 /nfs/dbraw/zinc/91/37/82/291913782.db2.gz KHMUFZFPWNOBAJ-NSHDSACASA-N 1 0 309.341 2.162 10 5 DEBERO Cc1sc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000120790184 195238581 /nfs/dbraw/zinc/23/85/81/195238581.db2.gz OBBVLSYXXVWEIA-ONGXEEELSA-N 1 0 311.407 2.377 10 5 DEBERO O=[N+]([O-])c1ccc2oc(CN3CC[N@@H+]4CCCC[C@H]4C3)nc2c1 ZINC000246299022 145098308 /nfs/dbraw/zinc/09/83/08/145098308.db2.gz BQVXCJFVXBISAY-ZDUSSCGKSA-N 1 0 316.361 2.406 10 5 DEBERO Cc1sc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000113228857 401771849 /nfs/dbraw/zinc/77/18/49/401771849.db2.gz ZSDQRORKAMYGIB-GXSJLCMTSA-N 1 0 309.391 2.273 10 5 DEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000113367326 401777431 /nfs/dbraw/zinc/77/74/31/401777431.db2.gz QITVYANZKZDNJV-SMDDNHRTSA-N 1 0 304.350 2.295 10 5 DEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116131224 401843022 /nfs/dbraw/zinc/84/30/22/401843022.db2.gz NZEUOUWIQOTQFB-CQSZACIVSA-N 1 0 322.409 2.394 10 5 DEBERO COc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1F ZINC000090539768 401985022 /nfs/dbraw/zinc/98/50/22/401985022.db2.gz PMJXEONCTSQPIV-SNVBAGLBSA-N 1 0 308.313 2.290 10 5 DEBERO CCCN(CC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000120818470 402003586 /nfs/dbraw/zinc/00/35/86/402003586.db2.gz UDODXVRTLLTLLC-UHFFFAOYSA-N 1 0 322.409 2.492 10 5 DEBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000066562073 402136821 /nfs/dbraw/zinc/13/68/21/402136821.db2.gz ADQHVUUECQZTSD-GFCCVEGCSA-N 1 0 305.378 2.456 10 5 DEBERO Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123932355 402154786 /nfs/dbraw/zinc/15/47/86/402154786.db2.gz HLDNVUGOHWISAI-OCCSQVGLSA-N 1 0 305.378 2.458 10 5 DEBERO C[C@H]1C[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000124016414 402159520 /nfs/dbraw/zinc/15/95/20/402159520.db2.gz UEWPZUDCWSMFKD-ZFWWWQNUSA-N 1 0 307.394 2.388 10 5 DEBERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000185074371 402322331 /nfs/dbraw/zinc/32/23/31/402322331.db2.gz VUUHBSOVYJDVKZ-NWDGAFQWSA-N 1 0 323.368 2.438 10 5 DEBERO COc1ccc(OC)c([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)c1 ZINC000176197241 402289766 /nfs/dbraw/zinc/28/97/66/402289766.db2.gz ZRMBQTVCTGPCRD-NSHDSACASA-N 1 0 320.349 2.159 10 5 DEBERO CCO[C@@H]1C[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C12CCCC2 ZINC000176260678 402295160 /nfs/dbraw/zinc/29/51/60/402295160.db2.gz JVERLMOVBCVLFJ-UONOGXRCSA-N 1 0 322.409 2.461 10 5 DEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185894138 402387132 /nfs/dbraw/zinc/38/71/32/402387132.db2.gz GOHAUQSARYSATO-UHFFFAOYSA-N 1 0 320.393 2.150 10 5 DEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000162073693 402408524 /nfs/dbraw/zinc/40/85/24/402408524.db2.gz LBFIHIPWLHMMOP-ZDUSSCGKSA-N 1 0 320.393 2.006 10 5 DEBERO CCC[NH+]1CCC(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000181000829 402632193 /nfs/dbraw/zinc/63/21/93/402632193.db2.gz OWSPZTJHYRBBGB-UHFFFAOYSA-N 1 0 320.393 2.029 10 5 DEBERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000183112533 402739976 /nfs/dbraw/zinc/73/99/76/402739976.db2.gz ODGNWTLJMAHGPM-MJVIPROJSA-N 1 0 307.350 2.079 10 5 DEBERO CC[N@@H+]1CCC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000194650449 402808067 /nfs/dbraw/zinc/80/80/67/402808067.db2.gz ZDTXHYOUWYOEEW-GFCCVEGCSA-N 1 0 323.418 2.287 10 5 DEBERO CO[C@@H]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000471756615 406116132 /nfs/dbraw/zinc/11/61/32/406116132.db2.gz FOSZTMLVVSTEEZ-OSAQELSMSA-N 1 0 321.377 2.469 10 5 DEBERO COC[C@@](C)(CCO)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000132558709 196265071 /nfs/dbraw/zinc/26/50/71/196265071.db2.gz OKTPSFBFEPXNKW-CYBMUJFWSA-N 1 0 302.758 2.125 10 5 DEBERO C[C@@H]1C[NH2+]C[C@@H](COCc2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000132769923 196282008 /nfs/dbraw/zinc/28/20/08/196282008.db2.gz UULUOJPRJISJQW-SKDRFNHKSA-N 1 0 300.742 2.142 10 5 DEBERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1Cc1ccc([N+](=O)[O-])cc1 ZINC000095752532 277188954 /nfs/dbraw/zinc/18/89/54/277188954.db2.gz KSQBAYJTFUFZQH-CQSZACIVSA-N 1 0 321.377 2.346 10 5 DEBERO CCN1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000389307797 336022993 /nfs/dbraw/zinc/02/29/93/336022993.db2.gz DQLNBTNDYLHRQG-MRVPVSSYSA-N 1 0 315.171 2.258 10 5 DEBERO C[NH2+]C1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000237092633 521950675 /nfs/dbraw/zinc/95/06/75/521950675.db2.gz BGMQCFVDRUVNRM-UHFFFAOYSA-N 1 0 309.391 2.141 10 5 DEBERO COc1cc(CN2CC[C@H]([NH3+])C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000261707187 536769211 /nfs/dbraw/zinc/76/92/11/536769211.db2.gz MDRSTBUZXDGLKV-HNNXBMFYSA-N 1 0 323.393 2.171 10 5 DEBERO CC(C)(CO)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162127989 625345413 /nfs/dbraw/zinc/34/54/13/625345413.db2.gz JEAPSYDYMARUDC-UHFFFAOYSA-N 1 0 303.156 2.218 10 5 DEBERO C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000235349919 625590823 /nfs/dbraw/zinc/59/08/23/625590823.db2.gz IMBPHTMRBTUBLT-KCJUWKMLSA-N 1 0 314.183 2.136 10 5 DEBERO C/C(=C/C(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752041153 639149313 /nfs/dbraw/zinc/14/93/13/639149313.db2.gz MIDBOGDAAIBGHX-GAJOTYCWSA-N 1 0 303.362 2.209 10 5 DEBERO C/C(=C/C(=O)NC[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752119782 639157716 /nfs/dbraw/zinc/15/77/16/639157716.db2.gz FLFYMHXBMSFCMG-QLKUMGTLSA-N 1 0 317.389 2.456 10 5 DEBERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000126785436 684157122 /nfs/dbraw/zinc/15/71/22/684157122.db2.gz SVENLFMIMNWPSY-AAEUAGOBSA-N 1 0 312.391 2.131 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000247216608 685143708 /nfs/dbraw/zinc/14/37/08/685143708.db2.gz XHNKOGYFLCSIFT-DOMZBBRYSA-N 1 0 315.377 2.071 10 5 DEBERO [NH3+][C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000717154033 799256507 /nfs/dbraw/zinc/25/65/07/799256507.db2.gz VKJOPHVXDPMJFD-BDAKNGLRSA-N 1 0 309.313 2.368 10 5 DEBERO CC[NH2+][C@@H](CC)[C@H](C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942131 192344005 /nfs/dbraw/zinc/34/40/05/192344005.db2.gz CTVDKJYMBMDRQL-GWCFXTLKSA-N 1 0 300.380 2.145 10 5 DEBERO CC(C)(C)[NH2+]CCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942075 192344714 /nfs/dbraw/zinc/34/47/14/192344714.db2.gz SQTBOLCSHQTCFR-UHFFFAOYSA-N 1 0 300.380 2.147 10 5 DEBERO CC[C@H]1CC[C@@H]([NH3+])[C@H](S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000081941964 192344722 /nfs/dbraw/zinc/34/47/22/192344722.db2.gz YPRGWEZJQHNGRJ-ZLKJLUDKSA-N 1 0 312.391 2.275 10 5 DEBERO CCC[C@@H](C[NH3+])Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000087405362 185224146 /nfs/dbraw/zinc/22/41/46/185224146.db2.gz LJVOHYOCRKFUIO-QMMMGPOBSA-N 1 0 303.160 2.292 10 5 DEBERO [NH3+]C1CN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000087590244 185228872 /nfs/dbraw/zinc/22/88/72/185228872.db2.gz PNHJAOXIAGNGPC-UHFFFAOYSA-N 1 0 323.150 2.053 10 5 DEBERO O=[N+]([O-])c1cc(Br)ccc1OCC[NH2+]C1CC1 ZINC000088086760 185239332 /nfs/dbraw/zinc/23/93/32/185239332.db2.gz YZMWSTYFCMZYME-UHFFFAOYSA-N 1 0 301.140 2.488 10 5 DEBERO CCC[NH2+]CCOc1ncc([N+](=O)[O-])c(C)c1Br ZINC000165861798 197683441 /nfs/dbraw/zinc/68/34/41/197683441.db2.gz WKFKKGCBEKZHCR-UHFFFAOYSA-N 1 0 318.171 2.439 10 5 DEBERO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc([N+](=O)[O-])c1 ZINC000090539781 185301552 /nfs/dbraw/zinc/30/15/52/185301552.db2.gz HAYMTNCOEGMSHD-AWEZNQCLSA-N 1 0 319.321 2.440 10 5 DEBERO C[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181934630 199365416 /nfs/dbraw/zinc/36/54/16/199365416.db2.gz OIFLBULXTMATOX-RDBSUJKOSA-N 1 0 308.378 2.455 10 5 DEBERO CC(C)C[NH2+]C[C@@H](O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000123555753 185819347 /nfs/dbraw/zinc/81/93/47/185819347.db2.gz WMNHRWCCPZQPIC-LLVKDONJSA-N 1 0 302.758 2.234 10 5 DEBERO C[C@@H]([NH3+])c1nc(CC(=O)Nc2ccccc2[N+](=O)[O-])cs1 ZINC000071695700 191008958 /nfs/dbraw/zinc/00/89/58/191008958.db2.gz PSVBQPXLWPJEAD-MRVPVSSYSA-N 1 0 306.347 2.252 10 5 DEBERO O=C(NCCCc1ncc[nH]1)c1cc([N+](=O)[O-])ccc1Cl ZINC000139448739 186022644 /nfs/dbraw/zinc/02/26/44/186022644.db2.gz LGILATVMXHIEOI-UHFFFAOYSA-N 1 0 308.725 2.334 10 5 DEBERO [NH3+]C1(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000147731658 186041331 /nfs/dbraw/zinc/04/13/31/186041331.db2.gz IUUJNZBWXSZOJA-UHFFFAOYSA-N 1 0 314.139 2.177 10 5 DEBERO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000149232335 186048303 /nfs/dbraw/zinc/04/83/03/186048303.db2.gz SAXXZAIMALHNCS-JTQLQIEISA-N 1 0 311.769 2.462 10 5 DEBERO C[C@H](C(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000185175478 356203442 /nfs/dbraw/zinc/20/34/42/356203442.db2.gz UFHZMMMSZPXGEA-SRVKXCTJSA-N 1 0 323.368 2.388 10 5 DEBERO C[C@H](C[C@H](C)[NH3+])Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000320929728 356447958 /nfs/dbraw/zinc/44/79/58/356447958.db2.gz SGAKFKBQKBIHMU-NKWVEPMBSA-N 1 0 303.160 2.290 10 5 DEBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179551913 199054495 /nfs/dbraw/zinc/05/44/95/199054495.db2.gz BZFBBAKKPZTHBS-CQSZACIVSA-N 1 0 317.389 2.440 10 5 DEBERO Cc1c(Br)c(N[C@@H]2CC[NH2+][C@H]2C)ncc1[N+](=O)[O-] ZINC000600958003 359871800 /nfs/dbraw/zinc/87/18/00/359871800.db2.gz ZBHKCQFBUHQRPH-JGVFFNPUSA-N 1 0 315.171 2.223 10 5 DEBERO C[NH2+]C1CC(Oc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000090865650 192939671 /nfs/dbraw/zinc/93/96/71/192939671.db2.gz QRQCMRSNJCDTGI-UHFFFAOYSA-N 1 0 301.140 2.487 10 5 DEBERO [NH3+]C1CC(OCc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000091459566 193059785 /nfs/dbraw/zinc/05/97/85/193059785.db2.gz SXLGOFQFLXYUJJ-UHFFFAOYSA-N 1 0 301.140 2.364 10 5 DEBERO COC(=O)[C@@]1([NH3+])CC[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000093834468 193314377 /nfs/dbraw/zinc/31/43/77/193314377.db2.gz BULJXRPPKPSQFU-TVQRCGJNSA-N 1 0 314.725 2.050 10 5 DEBERO CC[NH2+][C@]1(C(N)=O)CC[C@H](Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000093848665 193316937 /nfs/dbraw/zinc/31/69/37/193316937.db2.gz QHZLJLHEVVKOCP-GXTWGEPZSA-N 1 0 309.391 2.073 10 5 DEBERO [NH3+]C1CC(Oc2cc(F)c(Br)cc2[N+](=O)[O-])C1 ZINC000097368840 193711652 /nfs/dbraw/zinc/71/16/52/193711652.db2.gz DLMUZOILKKNJMN-UHFFFAOYSA-N 1 0 305.103 2.365 10 5 DEBERO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc([N+](=O)[O-])ccc1Cl ZINC000021800316 182290663 /nfs/dbraw/zinc/29/06/63/182290663.db2.gz OVAWTGQRJDAJPQ-CYBMUJFWSA-N 1 0 309.753 2.072 10 5 DEBERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000040690998 183118735 /nfs/dbraw/zinc/11/87/35/183118735.db2.gz WEWHJCRUMXZGRQ-NSHDSACASA-N 1 0 311.769 2.462 10 5 DEBERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042428650 183269140 /nfs/dbraw/zinc/26/91/40/183269140.db2.gz DFQXFAXMRWSFEA-ONGXEEELSA-N 1 0 311.769 2.334 10 5 DEBERO CCC[NH2+][C@@H](c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000043301374 183351901 /nfs/dbraw/zinc/35/19/01/183351901.db2.gz UOURSKVOBXUMDO-BXUZGUMPSA-N 1 0 312.391 2.070 10 5 DEBERO CCC[NH2+][C@H](c1csc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301500 183352023 /nfs/dbraw/zinc/35/20/23/183352023.db2.gz DTJSGBMNKMPBFY-SKDRFNHKSA-N 1 0 318.420 2.132 10 5 DEBERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000105872905 194153076 /nfs/dbraw/zinc/15/30/76/194153076.db2.gz BCKLFTPGEBXXCM-WCQYABFASA-N 1 0 315.377 2.414 10 5 DEBERO O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000062114203 184206283 /nfs/dbraw/zinc/20/62/83/184206283.db2.gz ANRZCBNUYVLMFV-SSDOTTSWSA-N 1 0 303.240 2.162 10 5 DEBERO COCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC/C=C/Cl ZINC000062732120 184251417 /nfs/dbraw/zinc/25/14/17/184251417.db2.gz APPIDDLEDIMQIY-GORDUTHDSA-N 1 0 300.742 2.462 10 5 DEBERO [NH3+][C@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000158798402 197301850 /nfs/dbraw/zinc/30/18/50/197301850.db2.gz KHPNIASWXMYCGR-GFCCVEGCSA-N 1 0 312.391 2.276 10 5 DEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cnc2C)[C@@H](C)C1 ZINC000247406153 145136017 /nfs/dbraw/zinc/13/60/17/145136017.db2.gz MYCDFIISYQGHEB-NHYWBVRUSA-N 1 0 320.393 2.101 10 5 DEBERO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)CC[N@@H+]1C[C@H](C)O ZINC000248638323 145162595 /nfs/dbraw/zinc/16/25/95/145162595.db2.gz QUDXGIKZOYEDQP-HOCLYGCPSA-N 1 0 321.421 2.180 10 5 DEBERO Cc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000113233344 401772388 /nfs/dbraw/zinc/77/23/88/401772388.db2.gz HPHPOBAVRKFEKE-JSGCOSHPSA-N 1 0 303.362 2.212 10 5 DEBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000077509742 401818250 /nfs/dbraw/zinc/81/82/50/401818250.db2.gz UAWUGHQSWXCKIX-GFCCVEGCSA-N 1 0 311.357 2.440 10 5 DEBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000079670088 401879112 /nfs/dbraw/zinc/87/91/12/401879112.db2.gz RYBQVPVSIXMWHI-AWEZNQCLSA-N 1 0 322.409 2.370 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000119053485 401921981 /nfs/dbraw/zinc/92/19/81/401921981.db2.gz BHDLAPSVVDXGAT-XJKSGUPXSA-N 1 0 317.389 2.460 10 5 DEBERO C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000149472420 401992709 /nfs/dbraw/zinc/99/27/09/401992709.db2.gz CRWKKVZZQLKYJD-BXKDBHETSA-N 1 0 311.769 2.270 10 5 DEBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000150856728 402000548 /nfs/dbraw/zinc/00/05/48/402000548.db2.gz JETPPYYKEVUAAZ-RISCZKNCSA-N 1 0 306.366 2.445 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124594572 402187576 /nfs/dbraw/zinc/18/75/76/402187576.db2.gz PSNVWSQNBZBRBM-OLZOCXBDSA-N 1 0 305.378 2.458 10 5 DEBERO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000124626200 402188717 /nfs/dbraw/zinc/18/87/17/402188717.db2.gz JADXZNQAFYUYQL-TZMCWYRMSA-N 1 0 305.378 2.458 10 5 DEBERO Cc1ccc([C@H](C)[NH2+]C[C@@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000125591256 402240438 /nfs/dbraw/zinc/24/04/38/402240438.db2.gz GBZJVUMVTIXVLC-XJKSGUPXSA-N 1 0 308.378 2.343 10 5 DEBERO O=C(CCc1cccc([N+](=O)[O-])c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186535706 402439942 /nfs/dbraw/zinc/43/99/42/402439942.db2.gz RAXDYULBYUZYJH-AWEZNQCLSA-N 1 0 317.389 2.270 10 5 DEBERO C[C@H]([NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000178342265 402486895 /nfs/dbraw/zinc/48/68/95/402486895.db2.gz HYAOFANEBHYHHO-KNXALSJPSA-N 1 0 308.378 2.157 10 5 DEBERO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000168601942 402497324 /nfs/dbraw/zinc/49/73/24/402497324.db2.gz FMDOZONMKRCVEQ-NSHDSACASA-N 1 0 309.753 2.168 10 5 DEBERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168628961 402497363 /nfs/dbraw/zinc/49/73/63/402497363.db2.gz NWJVAMNKVROTHA-NSHDSACASA-N 1 0 311.769 2.414 10 5 DEBERO C[C@H]1CC[C@@](CO)([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000187987833 402515058 /nfs/dbraw/zinc/51/50/58/402515058.db2.gz NTQPQXZUJPETRD-XJKSGUPXSA-N 1 0 308.378 2.457 10 5 DEBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccccc1[N+](=O)[O-] ZINC000261955373 402720170 /nfs/dbraw/zinc/72/01/70/402720170.db2.gz ZPUIRADWXZOYIV-QOARYFPJSA-N 1 0 303.362 2.231 10 5 DEBERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000183179636 402745235 /nfs/dbraw/zinc/74/52/35/402745235.db2.gz DHKKYEKYNSVKOL-UHIISALHSA-N 1 0 307.350 2.079 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000183383919 402761939 /nfs/dbraw/zinc/76/19/39/402761939.db2.gz BYIMWWJSBLJQBK-HNNXBMFYSA-N 1 0 319.405 2.057 10 5 DEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000175437609 402806285 /nfs/dbraw/zinc/80/62/85/402806285.db2.gz GIZYSCXWYHWHFV-CHWSQXEVSA-N 1 0 303.362 2.294 10 5 DEBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000273331032 402995103 /nfs/dbraw/zinc/99/51/03/402995103.db2.gz SLUKEDSNGUZAGW-BRADTZPFSA-N 1 0 303.362 2.066 10 5 DEBERO CC(=O)c1cc(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425276380 405267093 /nfs/dbraw/zinc/26/70/93/405267093.db2.gz BTEXKPXONUCVNZ-BLLLJJGKSA-N 1 0 303.362 2.328 10 5 DEBERO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000262523175 275816056 /nfs/dbraw/zinc/81/60/56/275816056.db2.gz ONVVTNCAPVUZHM-CYBMUJFWSA-N 1 0 309.341 2.242 10 5 DEBERO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccccc1 ZINC000180183667 277168955 /nfs/dbraw/zinc/16/89/55/277168955.db2.gz XNDNCMHERAKZEM-WFASDCNBSA-N 1 0 315.329 2.363 10 5 DEBERO COc1ccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1OC ZINC000180834045 295236608 /nfs/dbraw/zinc/23/66/08/295236608.db2.gz YODVRMCVROAFFE-NSHDSACASA-N 1 0 320.349 2.159 10 5 DEBERO Cc1c(Br)c(NC[C@H]2C[C@@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000715124359 792384707 /nfs/dbraw/zinc/38/47/07/792384707.db2.gz ZTQKHEBDKZHQPM-OCAPTIKFSA-N 1 0 315.171 2.210 10 5 DEBERO CC(C)[C@@H](O)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162232479 197554004 /nfs/dbraw/zinc/55/40/04/197554004.db2.gz VSPXFBDDIXTTNG-LBPRGKRZSA-N 1 0 317.183 2.464 10 5 DEBERO CC[NH2+][C@H]1CCCC[C@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942066 192343577 /nfs/dbraw/zinc/34/35/77/192343577.db2.gz FWUSAQAHCRDVJJ-UONOGXRCSA-N 1 0 312.391 2.289 10 5 DEBERO [NH3+][C@@H]1CCCCCC[C@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942191 192344252 /nfs/dbraw/zinc/34/42/52/192344252.db2.gz RVQHGFWXEDKGSD-ZIAGYGMSSA-N 1 0 312.391 2.419 10 5 DEBERO CCC[NH2+]Cc1ncnn1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000088628910 185260415 /nfs/dbraw/zinc/26/04/15/185260415.db2.gz OCLHLXXDLAOAOO-UHFFFAOYSA-N 1 0 309.757 2.388 10 5 DEBERO CC[C@H](Oc1c(Br)cccc1[N+](=O)[O-])C(N)=[NH2+] ZINC000133547850 185994261 /nfs/dbraw/zinc/99/42/61/185994261.db2.gz XENRNLZKQIRIFD-QMMMGPOBSA-N 1 0 302.128 2.451 10 5 DEBERO CN(c1ncnc2sc([N+](=O)[O-])cc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262396814 282674436 /nfs/dbraw/zinc/67/44/36/282674436.db2.gz BYPHUNJLVMYVJF-ULKQDVFKSA-N 1 0 319.390 2.319 10 5 DEBERO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1OC(F)F ZINC000172757338 198146443 /nfs/dbraw/zinc/14/64/43/198146443.db2.gz HEWJIXFRVRJCHV-LLVKDONJSA-N 1 0 313.304 2.481 10 5 DEBERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000174119846 198294192 /nfs/dbraw/zinc/29/41/92/198294192.db2.gz WPFQVNXENHZSRM-CQSZACIVSA-N 1 0 305.378 2.460 10 5 DEBERO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)CC[N@@H+]1CCOC ZINC000183332794 356168286 /nfs/dbraw/zinc/16/82/86/356168286.db2.gz HNVCHZMWRQTPPI-INIZCTEOSA-N 1 0 321.421 2.446 10 5 DEBERO C[NH+](C)CCNC(=O)c1cccc2c(=O)c3ccccc3oc12 ZINC000005808481 181285517 /nfs/dbraw/zinc/28/55/17/181285517.db2.gz KWGUFXPJIMNUFB-UHFFFAOYSA-N 1 0 310.353 2.238 10 5 DEBERO [NH3+]CC1(CCNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000404528123 356733396 /nfs/dbraw/zinc/73/33/96/356733396.db2.gz VPNOECYNCMCKQF-UHFFFAOYSA-N 1 0 315.171 2.293 10 5 DEBERO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000591068587 357669924 /nfs/dbraw/zinc/66/99/24/357669924.db2.gz BUBAUHMPYGNLPF-DANNLKNASA-N 1 0 317.389 2.155 10 5 DEBERO [NH3+]C[C@H]1CN(c2ncc([N+](=O)[O-])s2)CC[C@H]1C(F)(F)F ZINC000600952609 359869942 /nfs/dbraw/zinc/86/99/42/359869942.db2.gz QEIZOWAZQRRAFN-NKWVEPMBSA-N 1 0 310.301 2.015 10 5 DEBERO C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000600961050 359873128 /nfs/dbraw/zinc/87/31/28/359873128.db2.gz KVTGYBFIGGZZKW-BDAKNGLRSA-N 1 0 314.183 2.388 10 5 DEBERO O=[N+]([O-])c1cnc(NC[C@H]2CCCC[NH2+]2)c(Br)c1 ZINC000093434276 193250820 /nfs/dbraw/zinc/25/08/20/193250820.db2.gz KQKFXXGHIHDMGF-MRVPVSSYSA-N 1 0 315.171 2.306 10 5 DEBERO CC[C@@](C)([NH3+])C(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000094233541 193353022 /nfs/dbraw/zinc/35/30/22/193353022.db2.gz JYQMVYAQPNEXDW-LLVKDONJSA-N 1 0 316.155 2.423 10 5 DEBERO CC(C)[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000023013870 182344866 /nfs/dbraw/zinc/34/48/66/182344866.db2.gz JQNWADNDSWEMBW-UHFFFAOYSA-N 1 0 305.378 2.445 10 5 DEBERO CC(C)[C@@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1Br ZINC000159449101 197354182 /nfs/dbraw/zinc/35/41/82/197354182.db2.gz WSMFTCQSMGLROB-SNVBAGLBSA-N 1 0 316.155 2.279 10 5 DEBERO CCOCC[NH+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000106106106 194184883 /nfs/dbraw/zinc/18/48/83/194184883.db2.gz HMGDMBFWFJARBR-CQSZACIVSA-N 1 0 307.394 2.310 10 5 DEBERO [NH3+][C@H](CNc1nc2sccn2c1[N+](=O)[O-])c1ccccc1 ZINC000062838573 184255594 /nfs/dbraw/zinc/25/55/94/184255594.db2.gz QDMPFBXGIVTLHW-SNVBAGLBSA-N 1 0 303.347 2.416 10 5 DEBERO CC1(C)CCC[NH2+][C@@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000232897553 132553973 /nfs/dbraw/zinc/55/39/73/132553973.db2.gz PMNUEBMMUIKLTN-SECBINFHSA-N 1 0 309.395 2.494 10 5 DEBERO Cc1ccc(CN2CC[NH2+]C[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000261690139 145216820 /nfs/dbraw/zinc/21/68/20/145216820.db2.gz KPBRNRKCMHAQMQ-KRWDZBQOSA-N 1 0 312.373 2.445 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000113225296 401770905 /nfs/dbraw/zinc/77/09/05/401770905.db2.gz DYASIGDFMLRXCV-OKZVOGLASA-N 1 0 315.373 2.303 10 5 DEBERO O=C1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1 ZINC000119222085 401934410 /nfs/dbraw/zinc/93/44/10/401934410.db2.gz AWEYABVFSCQNIM-UHFFFAOYSA-N 1 0 315.329 2.177 10 5 DEBERO CC[C@H](O)C[NH+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000118858349 401912845 /nfs/dbraw/zinc/91/28/45/401912845.db2.gz SAQMUYWGKSFBFO-CJNGLKHVSA-N 1 0 307.394 2.044 10 5 DEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000054462882 402068008 /nfs/dbraw/zinc/06/80/08/402068008.db2.gz OTHHSKWZHKZJAZ-UHFFFAOYSA-N 1 0 308.382 2.147 10 5 DEBERO CC[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000125713041 402246453 /nfs/dbraw/zinc/24/64/53/402246453.db2.gz AHXFKDSQKHZMMA-CVEARBPZSA-N 1 0 308.378 2.425 10 5 DEBERO COC(=O)c1cc(N(C)CC[N@H+](C)C2CC2)cc(C)c1[N+](=O)[O-] ZINC000184789641 402300114 /nfs/dbraw/zinc/30/01/14/402300114.db2.gz IPRPVICEPBFMQQ-UHFFFAOYSA-N 1 0 321.377 2.220 10 5 DEBERO CC(C)[N@@H+](CCc1nccs1)CCn1cc([N+](=O)[O-])cn1 ZINC000159747459 402329549 /nfs/dbraw/zinc/32/95/49/402329549.db2.gz ZZSPPGAKAPYCLS-UHFFFAOYSA-N 1 0 309.395 2.201 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178582247 402514592 /nfs/dbraw/zinc/51/45/92/402514592.db2.gz PEBDWTIIESMADA-HOTGVXAUSA-N 1 0 307.394 2.044 10 5 DEBERO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000246823774 402546037 /nfs/dbraw/zinc/54/60/37/402546037.db2.gz CORJFMNROWFWBI-JSGCOSHPSA-N 1 0 305.378 2.272 10 5 DEBERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000171070460 402553878 /nfs/dbraw/zinc/55/38/78/402553878.db2.gz YPRSSCHSSZFILS-JTQLQIEISA-N 1 0 312.757 2.416 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000247402540 402566239 /nfs/dbraw/zinc/56/62/39/402566239.db2.gz MSNBSZXWPOAFAI-DOMZBBRYSA-N 1 0 305.378 2.315 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1ccccc1[N+](=O)[O-] ZINC000247468631 402568340 /nfs/dbraw/zinc/56/83/40/402568340.db2.gz RMRDEYIYQIDUHU-KGLIPLIRSA-N 1 0 305.378 2.142 10 5 DEBERO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1(CO)CC1 ZINC000190028413 402571701 /nfs/dbraw/zinc/57/17/01/402571701.db2.gz AVSQLJQOHNXCKZ-UHFFFAOYSA-N 1 0 317.345 2.454 10 5 DEBERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000194312201 402791472 /nfs/dbraw/zinc/79/14/72/402791472.db2.gz UZKQGQDZBMFXAA-NSHDSACASA-N 1 0 322.365 2.209 10 5 DEBERO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000175998660 402846655 /nfs/dbraw/zinc/84/66/55/402846655.db2.gz WCEIUBJNLJDRFK-OCCSQVGLSA-N 1 0 320.393 2.358 10 5 DEBERO Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c(Cl)cc1[N+](=O)[O-] ZINC000301694200 403665739 /nfs/dbraw/zinc/66/57/39/403665739.db2.gz ZUFMOYHTBZSXNI-KGLIPLIRSA-N 1 0 311.769 2.076 10 5 DEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC12CCC2 ZINC000373098383 404528986 /nfs/dbraw/zinc/52/89/86/404528986.db2.gz JCKRHDXROPGUEH-ZDUSSCGKSA-N 1 0 306.362 2.353 10 5 DEBERO CC1CCC([NH+]2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)CC1 ZINC000408311425 405170851 /nfs/dbraw/zinc/17/08/51/405170851.db2.gz YVZRFGAIVQUYDC-UHFFFAOYSA-N 1 0 321.425 2.025 10 5 DEBERO CCc1c([N+](=O)[O-])ccc(I)c1C[NH3+] ZINC000575724671 406824751 /nfs/dbraw/zinc/82/47/51/406824751.db2.gz ASODHSWGVNWEAN-UHFFFAOYSA-N 1 0 306.103 2.221 10 5 DEBERO [NH3+]C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1Br ZINC000131849439 196203690 /nfs/dbraw/zinc/20/36/90/196203690.db2.gz VRNCXKXNWYKNDX-NSHDSACASA-N 1 0 314.183 2.280 10 5 DEBERO CC[C@@H](C)[C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH2+]C ZINC000132785466 196283435 /nfs/dbraw/zinc/28/34/35/196283435.db2.gz QPHZBVOTCHYTCF-ZWNOBZJWSA-N 1 0 300.380 2.003 10 5 DEBERO O=[N+]([O-])c1cccc(OC[C@@H]2CC[NH2+]C2)c1Br ZINC000135117652 196445979 /nfs/dbraw/zinc/44/59/79/196445979.db2.gz GSYOFCCVXHXKQU-MRVPVSSYSA-N 1 0 301.140 2.346 10 5 DEBERO Cc1cc(N2CC[C@@H](C[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000235850083 274709080 /nfs/dbraw/zinc/70/90/80/274709080.db2.gz QREGEWPBEUGVQP-VIFPVBQESA-N 1 0 314.183 2.451 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000194551941 276377298 /nfs/dbraw/zinc/37/72/98/276377298.db2.gz UUJWFVIPHFWWAE-LBPRGKRZSA-N 1 0 321.377 2.160 10 5 DEBERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000046279919 279156024 /nfs/dbraw/zinc/15/60/24/279156024.db2.gz IYHHVTDWKWJXOH-CYBMUJFWSA-N 1 0 322.409 2.467 10 5 DEBERO Cc1c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247485351 280213182 /nfs/dbraw/zinc/21/31/82/280213182.db2.gz TVCWYCDWIFAZKU-DGCLKSJQSA-N 1 0 303.362 2.212 10 5 DEBERO C[N@@H+]1CCO[C@@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000285085204 290087092 /nfs/dbraw/zinc/08/70/92/290087092.db2.gz PXBKUUZXHDPAEI-UONOGXRCSA-N 1 0 311.769 2.158 10 5 DEBERO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000237774260 295653041 /nfs/dbraw/zinc/65/30/41/295653041.db2.gz HHALTUKGMRRSQA-JTQLQIEISA-N 1 0 311.769 2.368 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000194551927 529069427 /nfs/dbraw/zinc/06/94/27/529069427.db2.gz UUJWFVIPHFWWAE-GFCCVEGCSA-N 1 0 321.377 2.160 10 5 DEBERO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+](C)C)c2)n1 ZINC000191527746 529154451 /nfs/dbraw/zinc/15/44/51/529154451.db2.gz CVJDWRBTFAVCOW-UHFFFAOYSA-N 1 0 317.349 2.125 10 5 DEBERO CC[NH2+]CC1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000262135747 535461502 /nfs/dbraw/zinc/46/15/02/535461502.db2.gz LXKQSLDJUYRVLO-UHFFFAOYSA-N 1 0 303.366 2.297 10 5 DEBERO CC1(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])COC1 ZINC000162202251 625374147 /nfs/dbraw/zinc/37/41/47/625374147.db2.gz QTZZSETXFUURAR-UHFFFAOYSA-N 1 0 315.167 2.483 10 5 DEBERO C/C(=C/C(=O)NCC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000751870360 639129410 /nfs/dbraw/zinc/12/94/10/639129410.db2.gz DBHJKJAFFVZDJJ-QBFSEMIESA-N 1 0 317.389 2.456 10 5 DEBERO C/C(=C\C(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752386860 639179548 /nfs/dbraw/zinc/17/95/48/639179548.db2.gz PNEIHLGGGYHGIY-UELRPHRMSA-N 1 0 317.389 2.408 10 5 DEBERO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000126785661 684157271 /nfs/dbraw/zinc/15/72/71/684157271.db2.gz SVENLFMIMNWPSY-DGCLKSJQSA-N 1 0 312.391 2.131 10 5 DEBERO C[NH+](C)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000160378263 684326601 /nfs/dbraw/zinc/32/66/01/684326601.db2.gz MYHOUTCVQIEAMW-UHFFFAOYSA-N 1 0 311.769 2.414 10 5 DEBERO Cc1csc([C@H]2CCCN(Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000195305423 685094114 /nfs/dbraw/zinc/09/41/14/685094114.db2.gz LCYBYPJDFHSZOR-NSHDSACASA-N 1 0 307.379 2.393 10 5 DEBERO CC1(C)C[NH2+]C[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000721887391 781548593 /nfs/dbraw/zinc/54/85/93/781548593.db2.gz LNMCGSURSBMLNJ-VIFPVBQESA-N 1 0 315.171 2.162 10 5 DEBERO Cc1nn(C)c(N2CCC([N@H+]3CCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000154942273 282174476 /nfs/dbraw/zinc/17/44/76/282174476.db2.gz FSLJUHJHOYKHPW-LLVKDONJSA-N 1 0 307.398 2.090 10 5 DEBERO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCC1 ZINC000183605319 304010865 /nfs/dbraw/zinc/01/08/65/304010865.db2.gz YCXIWSWBCXWFGU-LBPRGKRZSA-N 1 0 319.365 2.082 10 5 DEBERO [NH3+]CCCc1nc(CC(=O)Nc2ccc([N+](=O)[O-])cc2)cs1 ZINC000071695706 191008185 /nfs/dbraw/zinc/00/81/85/191008185.db2.gz MPCIRHAXTVRYAM-UHFFFAOYSA-N 1 0 320.374 2.124 10 5 DEBERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000149232544 186048274 /nfs/dbraw/zinc/04/82/74/186048274.db2.gz SAXXZAIMALHNCS-SNVBAGLBSA-N 1 0 311.769 2.462 10 5 DEBERO O=[N+]([O-])c1cc(Cl)c(NC[C@H]2COCC[NH2+]2)c(Cl)c1 ZINC000236043702 356289435 /nfs/dbraw/zinc/28/94/35/356289435.db2.gz XPVVFRJMSCPZLM-ZETCQYMHSA-N 1 0 306.149 2.302 10 5 DEBERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000600963673 359873544 /nfs/dbraw/zinc/87/35/44/359873544.db2.gz YIKQHOWGCMSESZ-APPZFPTMSA-N 1 0 300.156 2.283 10 5 DEBERO C[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000611407578 361594025 /nfs/dbraw/zinc/59/40/25/361594025.db2.gz JGVLDJNZUGPUSY-NSHDSACASA-N 1 0 300.380 2.070 10 5 DEBERO Cc1cc(C)c([N+](=O)[O-])c(NCCN2CCC([NH+](C)C)CC2)n1 ZINC000611616722 361645117 /nfs/dbraw/zinc/64/51/17/361645117.db2.gz HJKXDSHURMTFLF-UHFFFAOYSA-N 1 0 321.425 2.045 10 5 DEBERO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000194831555 201298119 /nfs/dbraw/zinc/29/81/19/201298119.db2.gz GXURPRRZQIMSFD-STQMWFEESA-N 1 0 305.378 2.362 10 5 DEBERO C[C@@](O)(C[NH2+]C1CC1)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000090823440 192937582 /nfs/dbraw/zinc/93/75/82/192937582.db2.gz MXUFJUHMJRSTEE-CYBMUJFWSA-N 1 0 300.742 2.130 10 5 DEBERO O=C(C[C@H]1CSCC[NH2+]1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000091134864 193000615 /nfs/dbraw/zinc/00/06/15/193000615.db2.gz GDAWSFXDHSOOGN-VIFPVBQESA-N 1 0 315.782 2.282 10 5 DEBERO CC(C)[C@H](C[NH3+])Nc1ncc([N+](=O)[O-])cc1Br ZINC000093434406 193250794 /nfs/dbraw/zinc/25/07/94/193250794.db2.gz PHAOMTAFUZHFQY-VIFPVBQESA-N 1 0 303.160 2.148 10 5 DEBERO COC(=O)[C@]1([NH3+])CC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000093847091 193317025 /nfs/dbraw/zinc/31/70/25/193317025.db2.gz XEVPIIFIJAEDTF-RNCFNFMXSA-N 1 0 314.725 2.050 10 5 DEBERO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917109 182936529 /nfs/dbraw/zinc/93/65/29/182936529.db2.gz HPXKWHBAKNNITN-WDEREUQCSA-N 1 0 309.391 2.261 10 5 DEBERO C[NH+](C)CCCOc1ncc(Br)cc1[N+](=O)[O-] ZINC000042389971 183263779 /nfs/dbraw/zinc/26/37/79/183263779.db2.gz QRZBVTMHNGZVQQ-UHFFFAOYSA-N 1 0 304.144 2.083 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)CCC[NH2+]C(C)C ZINC000043511954 183369522 /nfs/dbraw/zinc/36/95/22/183369522.db2.gz MXUJAYQCIUMXDK-UHFFFAOYSA-N 1 0 315.395 2.033 10 5 DEBERO COCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC/C=C/Cl)c1 ZINC000062733382 184251345 /nfs/dbraw/zinc/25/13/45/184251345.db2.gz KDWBTWAEXKQYCP-GORDUTHDSA-N 1 0 300.742 2.462 10 5 DEBERO O=C(c1csc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188780 184277101 /nfs/dbraw/zinc/27/71/01/184277101.db2.gz KMUQDPPSQVIOGQ-RYUDHWBXSA-N 1 0 309.391 2.403 10 5 DEBERO C[C@@H](C[NH3+])CC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000158971470 197314837 /nfs/dbraw/zinc/31/48/37/197314837.db2.gz VKSDDYAHGBJARM-SSDOTTSWSA-N 1 0 316.155 2.281 10 5 DEBERO C[NH2+][C@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000158797226 197302079 /nfs/dbraw/zinc/30/20/79/197302079.db2.gz DYFZRLUOWZEBFL-GFCCVEGCSA-N 1 0 312.391 2.147 10 5 DEBERO [NH3+][C@H]1CCCN(c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000158745449 197298210 /nfs/dbraw/zinc/29/82/10/197298210.db2.gz DXMLDBQZAFIPBL-ZETCQYMHSA-N 1 0 318.146 2.424 10 5 DEBERO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1CCS(=O)CC1 ZINC000158132744 197246245 /nfs/dbraw/zinc/24/62/45/197246245.db2.gz OFUGHCGSUMDWSX-UHFFFAOYSA-N 1 0 302.783 2.249 10 5 DEBERO O=[N+]([O-])c1cccc2ncnc(N3CC[N@@H+]4CCCC[C@@H]4C3)c21 ZINC000408163478 285158672 /nfs/dbraw/zinc/15/86/72/285158672.db2.gz COAZCLZLBBDITO-GFCCVEGCSA-N 1 0 313.361 2.213 10 5 DEBERO C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000157061275 197159013 /nfs/dbraw/zinc/15/90/13/197159013.db2.gz UTXZUCIFQQVWMC-BQBZGAKWSA-N 1 0 316.155 2.279 10 5 DEBERO COC[C@@H](C)[NH2+]Cc1cc(Br)ccc1[N+](=O)[O-] ZINC000121104657 195294443 /nfs/dbraw/zinc/29/44/43/195294443.db2.gz ATVWTXUBJNVGBJ-MRVPVSSYSA-N 1 0 303.156 2.482 10 5 DEBERO C[C@H]1OCC[C@]1([NH3+])Cc1ccc([N+](=O)[O-])cc1Br ZINC000125994577 195800537 /nfs/dbraw/zinc/80/05/37/195800537.db2.gz PAZPWKULUQUSCU-PELKAZGASA-N 1 0 315.167 2.406 10 5 DEBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246203459 145094652 /nfs/dbraw/zinc/09/46/52/145094652.db2.gz JKTBAMBUPJLGQY-SMDDNHRTSA-N 1 0 306.366 2.445 10 5 DEBERO COc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000248623804 145161681 /nfs/dbraw/zinc/16/16/81/145161681.db2.gz NDKHWQGMSOCYQQ-AAEUAGOBSA-N 1 0 323.368 2.411 10 5 DEBERO COCC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000248694748 145164497 /nfs/dbraw/zinc/16/44/97/145164497.db2.gz YMKPAEACQAINDG-AWEZNQCLSA-N 1 0 307.394 2.056 10 5 DEBERO CC1(C)CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000261738135 145222307 /nfs/dbraw/zinc/22/23/07/145222307.db2.gz DFBGIUHNJCDGBG-AWEZNQCLSA-N 1 0 305.378 2.113 10 5 DEBERO COc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(F)cc1[N+](=O)[O-] ZINC000261988105 145250241 /nfs/dbraw/zinc/25/02/41/145250241.db2.gz BDFLSGBKSQVOQR-ZACCUICWSA-N 1 0 309.341 2.462 10 5 DEBERO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262354753 145278785 /nfs/dbraw/zinc/27/87/85/145278785.db2.gz FSVHJAXXRFFPBQ-KFWWJZLASA-N 1 0 317.389 2.174 10 5 DEBERO COc1ccc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000262509418 145289126 /nfs/dbraw/zinc/28/91/26/145289126.db2.gz MUZVKGQLBNRLCC-CYBMUJFWSA-N 1 0 307.350 2.320 10 5 DEBERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000360740746 147376026 /nfs/dbraw/zinc/37/60/26/147376026.db2.gz VBCRCQRKWWAYCQ-GFCCVEGCSA-N 1 0 307.350 2.416 10 5 DEBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000127877669 401753752 /nfs/dbraw/zinc/75/37/52/401753752.db2.gz HHZDDUBHDYANJI-GFCCVEGCSA-N 1 0 306.366 2.379 10 5 DEBERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116277236 401847858 /nfs/dbraw/zinc/84/78/58/401847858.db2.gz AAKYOBVWZPQJDB-MWLCHTKSSA-N 1 0 311.769 2.334 10 5 DEBERO CC[NH+](CC)[C@H](C)CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087324228 401930904 /nfs/dbraw/zinc/93/09/04/401930904.db2.gz REDZYWKQQHLZPL-CYBMUJFWSA-N 1 0 307.394 2.374 10 5 DEBERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000123079634 402109677 /nfs/dbraw/zinc/10/96/77/402109677.db2.gz IQBUGNPEVKOFOL-NSHDSACASA-N 1 0 324.381 2.455 10 5 DEBERO C[C@H]1C[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000123879159 402151602 /nfs/dbraw/zinc/15/16/02/402151602.db2.gz UHIJASXSQHNIKP-KBPBESRZSA-N 1 0 307.394 2.388 10 5 DEBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000068224356 402188124 /nfs/dbraw/zinc/18/81/24/402188124.db2.gz YNMHMDQMPDSXIX-NSHDSACASA-N 1 0 311.357 2.440 10 5 DEBERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000067548145 402162727 /nfs/dbraw/zinc/16/27/27/402162727.db2.gz XZDPELABOALJGN-NSHDSACASA-N 1 0 309.366 2.064 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000154788368 402231550 /nfs/dbraw/zinc/23/15/50/402231550.db2.gz LJIGKHSDZYOGLY-CZUORRHYSA-N 1 0 317.389 2.223 10 5 DEBERO Cc1ccc(OCC[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176198745 402289799 /nfs/dbraw/zinc/28/97/99/402289799.db2.gz HBTASKIJNRUTFD-UHFFFAOYSA-N 1 0 304.350 2.111 10 5 DEBERO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000176741683 402332886 /nfs/dbraw/zinc/33/28/86/402332886.db2.gz ORSSLKIRCAVKKK-GXTWGEPZSA-N 1 0 320.393 2.310 10 5 DEBERO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000255563093 402691511 /nfs/dbraw/zinc/69/15/11/402691511.db2.gz WOJKYSBIPWHOEL-HWYHOQROSA-N 1 0 315.373 2.305 10 5 DEBERO C[C@@H]1C[C@@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000174393253 402738890 /nfs/dbraw/zinc/73/88/90/402738890.db2.gz KHWGOGPGICFQMU-OCCSQVGLSA-N 1 0 320.393 2.219 10 5 DEBERO COC(=O)c1cc(NC2CC[NH+](C)CC2)cc(C)c1[N+](=O)[O-] ZINC000269406420 403136907 /nfs/dbraw/zinc/13/69/07/403136907.db2.gz YBZBZAFWHPEDEH-UHFFFAOYSA-N 1 0 307.350 2.196 10 5 DEBERO C[N@@H+]1CCC[C@@H]2CN(c3cc(CO)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000302027265 403706346 /nfs/dbraw/zinc/70/63/46/403706346.db2.gz IPVXWEBLDOZYHS-KGLIPLIRSA-N 1 0 305.378 2.008 10 5 DEBERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000389726427 405039708 /nfs/dbraw/zinc/03/97/08/405039708.db2.gz LLRFEUYDCBYNHS-XCBNKYQSSA-N 1 0 315.171 2.162 10 5 DEBERO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000408208018 405138918 /nfs/dbraw/zinc/13/89/18/405138918.db2.gz KFPADPGDNHQJCL-QMTHXVAHSA-N 1 0 322.340 2.292 10 5 DEBERO C[C@@H]1C[C@@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCO1 ZINC000408358945 405184691 /nfs/dbraw/zinc/18/46/91/405184691.db2.gz RHEGVOJZERJZBS-OLZOCXBDSA-N 1 0 308.382 2.243 10 5 DEBERO C[C@H]1C[NH2+]C[C@H](COCc2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000132769693 196282847 /nfs/dbraw/zinc/28/28/47/196282847.db2.gz UULUOJPRJISJQW-JOYOIKCWSA-N 1 0 300.742 2.142 10 5 DEBERO CC[NH2+][C@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](C)CC ZINC000132786306 196283316 /nfs/dbraw/zinc/28/33/16/196283316.db2.gz VVQNHFRSXFXPJC-VXGBXAGGSA-N 1 0 314.407 2.393 10 5 DEBERO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000134099197 196361651 /nfs/dbraw/zinc/36/16/51/196361651.db2.gz RQNUQBXIVWPBIO-NKWVEPMBSA-N 1 0 316.155 2.279 10 5 DEBERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1c(Br)cncc1[N+](=O)[O-] ZINC000235302738 274418923 /nfs/dbraw/zinc/41/89/23/274418923.db2.gz IXOXWDLLYYSLDZ-CBAPKCEASA-N 1 0 315.171 2.305 10 5 DEBERO Cc1c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247507610 525648846 /nfs/dbraw/zinc/64/88/46/525648846.db2.gz YDCTVRFJTNQLFM-RISCZKNCSA-N 1 0 305.378 2.362 10 5 DEBERO C[C@H]([NH3+])[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CCO1 ZINC000235514663 625865487 /nfs/dbraw/zinc/86/54/87/625865487.db2.gz ANYLCPUPTRJGIY-CPCISQLKSA-N 1 0 320.176 2.454 10 5 DEBERO C/C(=C\C(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752041157 639149060 /nfs/dbraw/zinc/14/90/60/639149060.db2.gz MIDBOGDAAIBGHX-IEZBTEQYSA-N 1 0 303.362 2.209 10 5 DEBERO C/C(=C/C(=O)N(C)CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000752755843 639216180 /nfs/dbraw/zinc/21/61/80/639216180.db2.gz QNZJKZZYDAWCGI-SEYXRHQNSA-N 1 0 305.378 2.408 10 5 DEBERO C[C@H](CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[S@@](C)=O ZINC000129489706 684179882 /nfs/dbraw/zinc/17/98/82/684179882.db2.gz RQBRBQYLRXTSFB-HOGDKLEQSA-N 1 0 304.799 2.495 10 5 DEBERO C[N@+]1(C[C@H](O)COc2ccccc2)C=C(Br)C=N1 ZINC001082760113 717195956 /nfs/dbraw/zinc/19/59/56/717195956.db2.gz UHBUUEWETPAUFU-BLLLJJGKSA-N 1 0 312.187 2.109 10 5 DEBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000588445593 777201636 /nfs/dbraw/zinc/20/16/36/777201636.db2.gz XLTSZLZMSUGBME-WVUXNXBLSA-N 1 0 317.389 2.456 10 5 DEBERO C[C@@H]1C[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000721862211 780400215 /nfs/dbraw/zinc/40/02/15/780400215.db2.gz OLWQIPBATDAJQW-RDDDGLTNSA-N 1 0 300.156 2.377 10 5 DEBERO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)cs1 ZINC000720410058 1089723700 /nfs/dbraw/zinc/72/37/00/1089723700.db2.gz HZAZXFNSGLRZNH-NEPJUHHUSA-N 1 0 313.448 2.326 10 5 DEBERO CC(C)[C@H](O)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162232368 197553529 /nfs/dbraw/zinc/55/35/29/197553529.db2.gz VSPXFBDDIXTTNG-GFCCVEGCSA-N 1 0 317.183 2.464 10 5 DEBERO O=[N+]([O-])c1ccc(Br)cc1OC[C@@H]1CC[NH2+]C1 ZINC000087835311 185232987 /nfs/dbraw/zinc/23/29/87/185232987.db2.gz ZFIPRTXJZYRJNP-MRVPVSSYSA-N 1 0 301.140 2.346 10 5 DEBERO CC(C)[NH2+]Cc1cn(Cc2c(Cl)cccc2[N+](=O)[O-])nn1 ZINC000090297511 185289788 /nfs/dbraw/zinc/28/97/88/185289788.db2.gz IBRCNCUBEFFUNZ-UHFFFAOYSA-N 1 0 309.757 2.386 10 5 DEBERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090539269 185301567 /nfs/dbraw/zinc/30/15/67/185301567.db2.gz SEMGUIUEZGKBTE-NSHDSACASA-N 1 0 320.397 2.402 10 5 DEBERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000186785264 282283882 /nfs/dbraw/zinc/28/38/82/282283882.db2.gz PJZWVDKDFNAPKJ-LLVKDONJSA-N 1 0 322.365 2.209 10 5 DEBERO CCCOc1ccc(-c2n[nH]c3c2C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000169967142 197762404 /nfs/dbraw/zinc/76/24/04/197762404.db2.gz SUNVWBOJASJFCM-UHFFFAOYSA-N 1 0 302.334 2.419 10 5 DEBERO C[C@H]([NH3+])c1nc(CC(=O)Nc2cccc([N+](=O)[O-])c2)cs1 ZINC000071695713 191008019 /nfs/dbraw/zinc/00/80/19/191008019.db2.gz IPFIUELNOCBPFP-QMMMGPOBSA-N 1 0 306.347 2.252 10 5 DEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCc1ncn(C)n1 ZINC000592373568 357868774 /nfs/dbraw/zinc/86/87/74/357868774.db2.gz XRCNKBXYUGDCNN-LCYFTJDESA-N 1 0 315.377 2.349 10 5 DEBERO O=C(C[C@H]1CSCC[NH2+]1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000091135059 193001591 /nfs/dbraw/zinc/00/15/91/193001591.db2.gz AICATZANRULACX-QMMMGPOBSA-N 1 0 315.782 2.282 10 5 DEBERO CC[C@H]([NH3+])C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094188722 193347910 /nfs/dbraw/zinc/34/79/10/193347910.db2.gz MUGHJRXQKNDRLL-QMMMGPOBSA-N 1 0 302.128 2.033 10 5 DEBERO CN(c1nc2sccn2c1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747276 183129005 /nfs/dbraw/zinc/12/90/05/183129005.db2.gz QDGBEPVJRHMMHD-ULKQDVFKSA-N 1 0 307.379 2.023 10 5 DEBERO O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000062114204 184206430 /nfs/dbraw/zinc/20/64/30/184206430.db2.gz ANRZCBNUYVLMFV-ZETCQYMHSA-N 1 0 303.240 2.162 10 5 DEBERO CN(c1cc(Br)c(F)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000158754030 197299001 /nfs/dbraw/zinc/29/90/01/197299001.db2.gz AGWIWQVJDWQNHN-ZETCQYMHSA-N 1 0 318.146 2.295 10 5 DEBERO Cc1cc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)ccc1[N+](=O)[O-] ZINC000186528363 144984453 /nfs/dbraw/zinc/98/44/53/144984453.db2.gz FTFGOJQDHSQELW-CYBMUJFWSA-N 1 0 303.362 2.260 10 5 DEBERO O=[N+]([O-])c1ccc2[nH]c(N3CCC([C@@H]4CCC[NH2+]4)CC3)nc2c1 ZINC000261745135 145222260 /nfs/dbraw/zinc/22/22/60/145222260.db2.gz OLGIINNNIGUNIL-ZDUSSCGKSA-N 1 0 315.377 2.440 10 5 DEBERO COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1[N+](=O)[O-] ZINC000261906573 145240431 /nfs/dbraw/zinc/24/04/31/145240431.db2.gz PNJJSDUEVFFVDX-UHTWSYAYSA-N 1 0 319.361 2.463 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113222528 401770715 /nfs/dbraw/zinc/77/07/15/401770715.db2.gz XQAZQPHMQISOKS-GXTWGEPZSA-N 1 0 303.362 2.212 10 5 DEBERO COc1ccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000116317435 401849035 /nfs/dbraw/zinc/84/90/35/401849035.db2.gz TZARGBLGFBDKCB-CYBMUJFWSA-N 1 0 316.361 2.326 10 5 DEBERO CCOC(=O)c1ccnc(NC[C@H](C)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000133351198 401882731 /nfs/dbraw/zinc/88/27/31/401882731.db2.gz QRLITNCWRXJSNT-NSHDSACASA-N 1 0 324.381 2.309 10 5 DEBERO CN(C[C@@H]1CCCC[NH2+]1)c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC000095070830 402024045 /nfs/dbraw/zinc/02/40/45/402024045.db2.gz DMNHUZMIVMFGAD-NSHDSACASA-N 1 0 301.350 2.116 10 5 DEBERO CC[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000151315643 402029135 /nfs/dbraw/zinc/02/91/35/402029135.db2.gz ZRSNJWSUKSATLC-IAGOWNOFSA-N 1 0 321.421 2.482 10 5 DEBERO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1(O)CCOCC1 ZINC000123168923 402113909 /nfs/dbraw/zinc/11/39/09/402113909.db2.gz IISWQOUVRDKSQZ-UHFFFAOYSA-N 1 0 314.769 2.222 10 5 DEBERO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000123173801 402114227 /nfs/dbraw/zinc/11/42/27/402114227.db2.gz XLBGSSZHNSFBRM-OCCSQVGLSA-N 1 0 305.378 2.458 10 5 DEBERO C[C@H]1C[C@@H](N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123540296 402132982 /nfs/dbraw/zinc/13/29/82/402132982.db2.gz ZGKZWJRMRGIWLA-JQWIXIFHSA-N 1 0 309.341 2.289 10 5 DEBERO CCO[C@@H]1C[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C12CCCC2 ZINC000176260707 402295212 /nfs/dbraw/zinc/29/52/12/402295212.db2.gz JVERLMOVBCVLFJ-ZIAGYGMSSA-N 1 0 322.409 2.461 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000176963737 402354898 /nfs/dbraw/zinc/35/48/98/402354898.db2.gz NWVZPJHLYFPDKS-CYBMUJFWSA-N 1 0 321.377 2.160 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000177025818 402361115 /nfs/dbraw/zinc/36/11/15/402361115.db2.gz GFSSJRQAMQOJMV-CYBMUJFWSA-N 1 0 305.378 2.460 10 5 DEBERO COc1cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000161229710 402378389 /nfs/dbraw/zinc/37/83/89/402378389.db2.gz ZAPHPKAJLYCKKR-ZDUSSCGKSA-N 1 0 323.393 2.310 10 5 DEBERO Cc1sc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc1[N+](=O)[O-] ZINC000186524137 402438799 /nfs/dbraw/zinc/43/87/99/402438799.db2.gz LRXZEEKGRRHQTO-SNVBAGLBSA-N 1 0 309.391 2.321 10 5 DEBERO Cc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000246766641 402543944 /nfs/dbraw/zinc/54/39/44/402543944.db2.gz ASTFOSZLDDLIEH-OCCSQVGLSA-N 1 0 303.362 2.212 10 5 DEBERO Cc1c(CC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000178637127 402520186 /nfs/dbraw/zinc/52/01/86/402520186.db2.gz WCDLJWUKMNXHIV-OAHLLOKOSA-N 1 0 317.389 2.142 10 5 DEBERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@H]12 ZINC000248641135 402600375 /nfs/dbraw/zinc/60/03/75/402600375.db2.gz RIDHBBDGBDGBIJ-JFUSQASVSA-N 1 0 309.753 2.058 10 5 DEBERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000183179617 402745006 /nfs/dbraw/zinc/74/50/06/402745006.db2.gz DHKKYEKYNSVKOL-COPLHBTASA-N 1 0 307.350 2.079 10 5 DEBERO COc1cc(N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])cc1F ZINC000268146039 403054339 /nfs/dbraw/zinc/05/43/39/403054339.db2.gz DKGHZXQXLCRREI-UHFFFAOYSA-N 1 0 309.341 2.417 10 5 DEBERO Cn1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000358236415 404757247 /nfs/dbraw/zinc/75/72/47/404757247.db2.gz KNFYQCNRWDNJEH-HNNXBMFYSA-N 1 0 300.362 2.439 10 5 DEBERO C[C@H](CC[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[S@](C)=O ZINC000129455697 196050732 /nfs/dbraw/zinc/05/07/32/196050732.db2.gz JBPCVCPIALWDTE-AYLIAGHASA-N 1 0 304.799 2.495 10 5 DEBERO C[C@@H]1C[C@@H]([NH3+])CCN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000132035489 196221463 /nfs/dbraw/zinc/22/14/63/196221463.db2.gz NWGCCTMVBZGMHT-APPZFPTMSA-N 1 0 315.171 2.068 10 5 DEBERO C[C@@H]1C[NH2+]C[C@@H](COCc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000132711075 196277200 /nfs/dbraw/zinc/27/72/00/196277200.db2.gz ZAEWPTLXKRRLNO-SKDRFNHKSA-N 1 0 300.742 2.142 10 5 DEBERO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C1CCOCC1 ZINC000187960262 225004309 /nfs/dbraw/zinc/00/43/09/225004309.db2.gz GBSUNSUPRXWVEA-OAHLLOKOSA-N 1 0 324.377 2.135 10 5 DEBERO CO[C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000226421055 277656716 /nfs/dbraw/zinc/65/67/16/277656716.db2.gz QMHSQKVBVYVILP-CHWSQXEVSA-N 1 0 313.785 2.186 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247461986 525561409 /nfs/dbraw/zinc/56/14/09/525561409.db2.gz UMADYQWQXGKBKR-IUODEOHRSA-N 1 0 305.378 2.362 10 5 DEBERO Cc1ccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247451243 526204090 /nfs/dbraw/zinc/20/40/90/526204090.db2.gz SSMZUBHSLIOOHH-TZMCWYRMSA-N 1 0 305.378 2.362 10 5 DEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000246896225 536165255 /nfs/dbraw/zinc/16/52/55/536165255.db2.gz HFTKIQDESIAPBO-HOCLYGCPSA-N 1 0 317.389 2.223 10 5 DEBERO O=[N+]([O-])c1ccc(Cl)cc1Cn1cc(C[NH2+]C2CC2)nn1 ZINC000093634338 624186906 /nfs/dbraw/zinc/18/69/06/624186906.db2.gz IAILPIOZJSSVLV-UHFFFAOYSA-N 1 0 307.741 2.140 10 5 DEBERO C[C@H](CO)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000235467380 635974102 /nfs/dbraw/zinc/97/41/02/635974102.db2.gz YWFABVZHXZBYTL-BDAKNGLRSA-N 1 0 317.183 2.464 10 5 DEBERO C/C(=C\C(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752386853 639179834 /nfs/dbraw/zinc/17/98/34/639179834.db2.gz PNEIHLGGGYHGIY-JWAFFJSPSA-N 1 0 317.389 2.408 10 5 DEBERO C[NH+](C)CCn1cc(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cn1 ZINC000804395329 645765625 /nfs/dbraw/zinc/76/56/25/645765625.db2.gz PHBZEDHRLGJBQX-UHFFFAOYSA-N 1 0 320.309 2.005 10 5 DEBERO COc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000262315903 685200470 /nfs/dbraw/zinc/20/04/70/685200470.db2.gz QHKJXUVBHFNWLC-UMNHJUIQSA-N 1 0 309.341 2.306 10 5 DEBERO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1C[NH2+]CCC1(F)F ZINC000716997065 798354997 /nfs/dbraw/zinc/35/49/97/798354997.db2.gz KOXZENNJRAOPEZ-ZETCQYMHSA-N 1 0 306.700 2.300 10 5 DEBERO [NH3+][C@@H]1CCC2(C[C@@H]1Sc1ccc([N+](=O)[O-])cc1)OCCO2 ZINC000081805121 192327168 /nfs/dbraw/zinc/32/71/68/192327168.db2.gz FUVDFGNSJRCJBW-OLZOCXBDSA-N 1 0 310.375 2.310 10 5 DEBERO CC1(C)CC[C@H]([NH3+])[C@H](S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000081943025 192344316 /nfs/dbraw/zinc/34/43/16/192344316.db2.gz ANVNRRXLPPHUBU-GXFFZTMASA-N 1 0 312.391 2.275 10 5 DEBERO [NH3+][C@H](CS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000081942792 192344565 /nfs/dbraw/zinc/34/45/65/192344565.db2.gz OPORWDYDNZCCPN-GFCCVEGCSA-N 1 0 306.343 2.069 10 5 DEBERO CC[C@@H](Oc1ccc(Br)cc1[N+](=O)[O-])C(N)=[NH2+] ZINC000088086646 185239324 /nfs/dbraw/zinc/23/93/24/185239324.db2.gz ACPNTMIMLJLDDN-MRVPVSSYSA-N 1 0 302.128 2.451 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000175352411 282194891 /nfs/dbraw/zinc/19/48/91/282194891.db2.gz FZDCHHNWQNFHNF-AWEZNQCLSA-N 1 0 307.394 2.390 10 5 DEBERO C[NH2+]Cc1cn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)nn1 ZINC000090300020 185290063 /nfs/dbraw/zinc/29/00/63/185290063.db2.gz ZOPRWAQCDMPSLY-UHFFFAOYSA-N 1 0 302.121 2.202 10 5 DEBERO CN(CC[C@H]1CCCC[N@@H+]1C)c1cc(CO)ccc1[N+](=O)[O-] ZINC000302053387 529931504 /nfs/dbraw/zinc/93/15/04/529931504.db2.gz PPNKCLHJUNGOEG-CQSZACIVSA-N 1 0 307.394 2.398 10 5 DEBERO C[C@@H]([NH3+])c1nc(CC(=O)Nc2cccc([N+](=O)[O-])c2)cs1 ZINC000071695715 191008676 /nfs/dbraw/zinc/00/86/76/191008676.db2.gz IPFIUELNOCBPFP-MRVPVSSYSA-N 1 0 306.347 2.252 10 5 DEBERO [NH3+]Cc1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000071700217 191009380 /nfs/dbraw/zinc/00/93/80/191009380.db2.gz BDWFMMKYTPBFMV-UHFFFAOYSA-N 1 0 315.285 2.035 10 5 DEBERO C[C@H](C[C@H]1COCC[NH2+]1)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000133691627 186007878 /nfs/dbraw/zinc/00/78/78/186007878.db2.gz PMHORLZWMSHRIS-BDAKNGLRSA-N 1 0 301.293 2.052 10 5 DEBERO CC[N@@H+]1CC[C@@H](N(C)c2nc3sccn3c2[N+](=O)[O-])[C@H](C)C1 ZINC000078332706 355254171 /nfs/dbraw/zinc/25/41/71/355254171.db2.gz DQHDGSVSSYOURK-GHMZBOCLSA-N 1 0 323.422 2.471 10 5 DEBERO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000255583931 356338158 /nfs/dbraw/zinc/33/81/58/356338158.db2.gz DWBPSPQLOXQQTD-IMMZDGJCSA-N 1 0 317.389 2.015 10 5 DEBERO CC[NH+](CC)[C@@H](C)CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087324226 192639043 /nfs/dbraw/zinc/63/90/43/192639043.db2.gz REDZYWKQQHLZPL-ZDUSSCGKSA-N 1 0 307.394 2.374 10 5 DEBERO CC[NH2+][C@@]1(C(N)=O)CC[C@H](Sc2ccccc2[N+](=O)[O-])C1 ZINC000093848702 193317124 /nfs/dbraw/zinc/31/71/24/193317124.db2.gz AQHHUUBMYDZNRC-HZMBPMFUSA-N 1 0 309.391 2.073 10 5 DEBERO CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094188629 193348202 /nfs/dbraw/zinc/34/82/02/193348202.db2.gz CULAKFGXFBNCIB-SNVBAGLBSA-N 1 0 316.155 2.279 10 5 DEBERO O=C(c1csc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000063188782 184277166 /nfs/dbraw/zinc/27/71/66/184277166.db2.gz KMUQDPPSQVIOGQ-NEPJUHHUSA-N 1 0 309.391 2.403 10 5 DEBERO CC1=CC[N@H+](CCNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000358192240 133126975 /nfs/dbraw/zinc/12/69/75/133126975.db2.gz PJLYEMGAMGSMCD-UHFFFAOYSA-N 1 0 318.377 2.046 10 5 DEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(CCO)CCOC1 ZINC000344984514 404484035 /nfs/dbraw/zinc/48/40/35/404484035.db2.gz RFNMAYSUCNDTEO-ZGUWOUCSSA-N 1 0 320.389 2.377 10 5 DEBERO Cc1cccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c1[N+](=O)[O-] ZINC000188679038 145015741 /nfs/dbraw/zinc/01/57/41/145015741.db2.gz IBIXMCHTTNJQCW-UHFFFAOYSA-N 1 0 311.341 2.436 10 5 DEBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000247403349 145136305 /nfs/dbraw/zinc/13/63/05/145136305.db2.gz RGAIWEHVSUFFRL-GXTWGEPZSA-N 1 0 320.393 2.123 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247444826 145137187 /nfs/dbraw/zinc/13/71/87/145137187.db2.gz PSNVWSQNBZBRBM-QWHCGFSZSA-N 1 0 305.378 2.458 10 5 DEBERO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000248873211 145171544 /nfs/dbraw/zinc/17/15/44/145171544.db2.gz VKWTVDAWCCDOAO-IMJJTQAJSA-N 1 0 318.373 2.411 10 5 DEBERO CO[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000252009435 145197999 /nfs/dbraw/zinc/19/79/99/145197999.db2.gz XLOXUVINRUFYIV-LALPHHSUSA-N 1 0 321.377 2.279 10 5 DEBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000261696300 145217857 /nfs/dbraw/zinc/21/78/57/145217857.db2.gz SKQSNUOHAUDZAO-HFZWIWRYSA-N 1 0 317.389 2.160 10 5 DEBERO C[C@H](CCC[NH3+])Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000310403745 145352320 /nfs/dbraw/zinc/35/23/20/145352320.db2.gz HLQCYBXPCHLVRK-SSDOTTSWSA-N 1 0 303.160 2.292 10 5 DEBERO Cc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000113223828 401770737 /nfs/dbraw/zinc/77/07/37/401770737.db2.gz ASTFOSZLDDLIEH-GXTWGEPZSA-N 1 0 303.362 2.212 10 5 DEBERO Cc1cccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000113230350 401771450 /nfs/dbraw/zinc/77/14/50/401771450.db2.gz DGZMIFMEXIOFQP-QWHCGFSZSA-N 1 0 303.362 2.212 10 5 DEBERO COc1ccc([N+](=O)[O-])cc1CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113268940 401773882 /nfs/dbraw/zinc/77/38/82/401773882.db2.gz CUNRGGGGMPKHLL-SWLSCSKDSA-N 1 0 305.378 2.272 10 5 DEBERO Cc1sc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000115440222 401827807 /nfs/dbraw/zinc/82/78/07/401827807.db2.gz ZDLAHNPYFPDCBM-NSHDSACASA-N 1 0 311.407 2.379 10 5 DEBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([N@H+](C)CCCO)CC1 ZINC000115548505 401831241 /nfs/dbraw/zinc/83/12/41/401831241.db2.gz GEXLBHWYWBCVGE-AWEZNQCLSA-N 1 0 321.421 2.434 10 5 DEBERO COCc1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](C2CC2)CC1 ZINC000080608021 401891009 /nfs/dbraw/zinc/89/10/09/401891009.db2.gz GFMAPDJBPZVWNU-UHFFFAOYSA-N 1 0 305.378 2.416 10 5 DEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124324415 402174732 /nfs/dbraw/zinc/17/47/32/402174732.db2.gz MLNDXDGDHXEUCY-OLZOCXBDSA-N 1 0 305.378 2.458 10 5 DEBERO CC[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176702183 402329562 /nfs/dbraw/zinc/32/95/62/402329562.db2.gz JTMRHPRVGDOXCQ-LSDHHAIUSA-N 1 0 320.393 2.391 10 5 DEBERO COc1cccc(NCCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000185184230 402331695 /nfs/dbraw/zinc/33/16/95/402331695.db2.gz MAXFKNAKXKCQET-UHFFFAOYSA-N 1 0 309.366 2.128 10 5 DEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000177423949 402400923 /nfs/dbraw/zinc/40/09/23/402400923.db2.gz KMGBZPHHGCYLSL-GFCCVEGCSA-N 1 0 320.393 2.042 10 5 DEBERO Cc1c(CC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000245923961 402497585 /nfs/dbraw/zinc/49/75/85/402497585.db2.gz HGAAYSQVFFHTLX-DOMZBBRYSA-N 1 0 317.389 2.141 10 5 DEBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000246782798 402544592 /nfs/dbraw/zinc/54/45/92/402544592.db2.gz CMNXQISERMRHJF-OKZVOGLASA-N 1 0 317.389 2.453 10 5 DEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000246171384 402515281 /nfs/dbraw/zinc/51/52/81/402515281.db2.gz LJIGKHSDZYOGLY-BBRMVZONSA-N 1 0 317.389 2.223 10 5 DEBERO C[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248460445 402592108 /nfs/dbraw/zinc/59/21/08/402592108.db2.gz OIFLBULXTMATOX-HZSPNIEDSA-N 1 0 308.378 2.455 10 5 DEBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000250145184 402645624 /nfs/dbraw/zinc/64/56/24/402645624.db2.gz ZQYMDRMVTBFOSQ-SUNKGSAMSA-N 1 0 323.418 2.190 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000183322561 402756666 /nfs/dbraw/zinc/75/66/66/402756666.db2.gz JEWNWXLWYMRDJU-CQSZACIVSA-N 1 0 306.362 2.488 10 5 DEBERO Cn1cc([C@@H](CNc2ccc(F)cc2[N+](=O)[O-])[NH+](C)C)cn1 ZINC000301268128 403608159 /nfs/dbraw/zinc/60/81/59/403608159.db2.gz GANVALDIUXIIHF-CQSZACIVSA-N 1 0 307.329 2.182 10 5 DEBERO Cc1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)ncc1[N+](=O)[O-] ZINC000301447483 403630606 /nfs/dbraw/zinc/63/06/06/403630606.db2.gz RTFKCNQUSBCDLV-MELADBBJSA-N 1 0 302.378 2.219 10 5 DEBERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccncc1[N+](=O)[O-] ZINC000361015909 404880472 /nfs/dbraw/zinc/88/04/72/404880472.db2.gz WMPCPGWNCSVQLR-BBRMVZONSA-N 1 0 312.373 2.344 10 5 DEBERO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000471756613 406115885 /nfs/dbraw/zinc/11/58/85/406115885.db2.gz FOSZTMLVVSTEEZ-CORIIIEPSA-N 1 0 321.377 2.469 10 5 DEBERO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000471756616 406116094 /nfs/dbraw/zinc/11/60/94/406116094.db2.gz FOSZTMLVVSTEEZ-UXIGCNINSA-N 1 0 321.377 2.469 10 5 DEBERO CSc1cccc(C(=O)NCCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000487164558 406211337 /nfs/dbraw/zinc/21/13/37/406211337.db2.gz MDGRTMXDVUJPAG-UHFFFAOYSA-N 1 0 311.407 2.388 10 5 DEBERO CCc1cc([N+](=O)[O-])cc(C[NH3+])c1I ZINC000575725604 406825487 /nfs/dbraw/zinc/82/54/87/406825487.db2.gz LIADQPBEKIDUSJ-UHFFFAOYSA-N 1 0 306.103 2.221 10 5 DEBERO C[C@H]1C[C@@H]([NH3+])CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000132148270 196230384 /nfs/dbraw/zinc/23/03/84/196230384.db2.gz NLBGTICGRTZMEA-YUMQZZPRSA-N 1 0 315.171 2.068 10 5 DEBERO C[C@@H]1C[NH2+]C[C@H](COCc2c(Cl)cccc2[N+](=O)[O-])O1 ZINC000132811119 196285705 /nfs/dbraw/zinc/28/57/05/196285705.db2.gz PQIMDQCBVDLZFO-NXEZZACHSA-N 1 0 300.742 2.142 10 5 DEBERO [NH3+][C@@H]1CCCC[C@H]1Oc1ncc([N+](=O)[O-])cc1Br ZINC000136468924 196537930 /nfs/dbraw/zinc/53/79/30/196537930.db2.gz IXNITLNAOAZWGJ-NXEZZACHSA-N 1 0 316.155 2.401 10 5 DEBERO COc1cc(C[NH2+]C[C@H]2CCC(C)(C)O2)c([N+](=O)[O-])cc1O ZINC000189725532 294986201 /nfs/dbraw/zinc/98/62/01/294986201.db2.gz SOTUXQUAXUBSQS-LLVKDONJSA-N 1 0 310.350 2.356 10 5 DEBERO Cc1c(CC(=O)NCC[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000161704913 525692190 /nfs/dbraw/zinc/69/21/90/525692190.db2.gz JWKRBXJKOPAKOX-ZDUSSCGKSA-N 1 0 319.405 2.436 10 5 DEBERO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261816899 636550748 /nfs/dbraw/zinc/55/07/48/636550748.db2.gz RXQVMFZMRKSIRL-MRXNPFEDSA-N 1 0 316.336 2.275 10 5 DEBERO C/C(=C/C(=O)NC[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000752348229 639173710 /nfs/dbraw/zinc/17/37/10/639173710.db2.gz OWPSAQREYJBWPN-WQTVUKCASA-N 1 0 303.362 2.209 10 5 DEBERO COC(=O)[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000094996531 647892794 /nfs/dbraw/zinc/89/27/94/647892794.db2.gz UGRUGHLDGMGEJM-SKDRFNHKSA-N 1 0 312.753 2.489 10 5 DEBERO CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([N+](C)(C)C)c1 ZINC000001844243 717089835 /nfs/dbraw/zinc/08/98/35/717089835.db2.gz CZVFQYIDXCUDEX-UHFFFAOYSA-N 1 0 310.374 2.004 10 5 DEBERO CC[NH2+][C@@H](CC)[C@H](C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000081942840 192344733 /nfs/dbraw/zinc/34/47/33/192344733.db2.gz AGHGPGOGCBSANY-QWRGUYRKSA-N 1 0 300.380 2.145 10 5 DEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000153717222 282173399 /nfs/dbraw/zinc/17/33/99/282173399.db2.gz UOTNWTYMNHCAOG-OAHLLOKOSA-N 1 0 305.378 2.315 10 5 DEBERO CC[C@H](Oc1ccc(Br)cc1[N+](=O)[O-])C(N)=[NH2+] ZINC000088086645 185239333 /nfs/dbraw/zinc/23/93/33/185239333.db2.gz ACPNTMIMLJLDDN-QMMMGPOBSA-N 1 0 302.128 2.451 10 5 DEBERO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH2+]CC12CCCCC2 ZINC000088395905 185248407 /nfs/dbraw/zinc/24/84/07/185248407.db2.gz XPTCLPPLAGPZNE-UHFFFAOYSA-N 1 0 309.391 2.405 10 5 DEBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000236797665 202013323 /nfs/dbraw/zinc/01/33/23/202013323.db2.gz BGWNXAIFKJJBLW-KBPBESRZSA-N 1 0 305.378 2.459 10 5 DEBERO COc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000184215755 199688616 /nfs/dbraw/zinc/68/86/16/199688616.db2.gz NDKHWQGMSOCYQQ-DGCLKSJQSA-N 1 0 323.368 2.411 10 5 DEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000598991072 359378278 /nfs/dbraw/zinc/37/82/78/359378278.db2.gz UNKJSAAHRPVKNZ-LSSCYMHBSA-N 1 0 306.362 2.128 10 5 DEBERO C[C@H]1CC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C[NH2+]1 ZINC000600955301 359870503 /nfs/dbraw/zinc/87/05/03/359870503.db2.gz LYGBVAGFPFSDPT-CBAPKCEASA-N 1 0 315.171 2.305 10 5 DEBERO [NH3+][C@@H]1CCC[C@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000093434316 193250460 /nfs/dbraw/zinc/25/04/60/193250460.db2.gz DHJUSNIZWCHRPL-RKDXNWHRSA-N 1 0 301.144 2.044 10 5 DEBERO [NH3+]CC1(Nc2ncc([N+](=O)[O-])cc2Br)CCCC1 ZINC000093434360 193250865 /nfs/dbraw/zinc/25/08/65/193250865.db2.gz XUDLALRQAUWUSF-UHFFFAOYSA-N 1 0 315.171 2.436 10 5 DEBERO C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000093520341 193263091 /nfs/dbraw/zinc/26/30/91/193263091.db2.gz SRTADNQPZWZVMW-JTQLQIEISA-N 1 0 300.380 2.069 10 5 DEBERO CC[C@](C)([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000094233440 193352882 /nfs/dbraw/zinc/35/28/82/193352882.db2.gz ZXXBXHDBWQYURB-NSHDSACASA-N 1 0 316.155 2.423 10 5 DEBERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040690997 183118760 /nfs/dbraw/zinc/11/87/60/183118760.db2.gz KHUMDYFRBNQGJT-SNVBAGLBSA-N 1 0 311.769 2.462 10 5 DEBERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000040749703 183128846 /nfs/dbraw/zinc/12/88/46/183128846.db2.gz CGTWUFXYJCXXFR-PBINXNQUSA-N 1 0 309.753 2.343 10 5 DEBERO C[NH+](C)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])c(F)c(F)c1F ZINC000041111733 183166570 /nfs/dbraw/zinc/16/65/70/183166570.db2.gz WVAWQIRANQRIGB-UHFFFAOYSA-N 1 0 319.283 2.082 10 5 DEBERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042428656 183269354 /nfs/dbraw/zinc/26/93/54/183269354.db2.gz KKUBJRAGWWGARQ-VHSXEESVSA-N 1 0 311.769 2.334 10 5 DEBERO CCC[NH2+][C@H](c1csc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301503 183352315 /nfs/dbraw/zinc/35/23/15/183352315.db2.gz DTJSGBMNKMPBFY-CABZTGNLSA-N 1 0 318.420 2.132 10 5 DEBERO CCC[NH2+][C@H](c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000043301379 183352652 /nfs/dbraw/zinc/35/26/52/183352652.db2.gz UOURSKVOBXUMDO-FZMZJTMJSA-N 1 0 312.391 2.070 10 5 DEBERO CN(CCC[NH+](C)C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000538317265 285031884 /nfs/dbraw/zinc/03/18/84/285031884.db2.gz QQNAGNVWMASFKN-UHFFFAOYSA-N 1 0 304.350 2.100 10 5 DEBERO CN(CCC[NH+](C)C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000540515019 285119390 /nfs/dbraw/zinc/11/93/90/285119390.db2.gz SASMCGWDMXCBIV-UHFFFAOYSA-N 1 0 311.407 2.097 10 5 DEBERO [NH3+][C@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000158796378 197301955 /nfs/dbraw/zinc/30/19/55/197301955.db2.gz OWXHUGMANHFGRM-CQSZACIVSA-N 1 0 312.391 2.276 10 5 DEBERO [NH3+]C[C@H]1CCCN1c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000158779638 197300734 /nfs/dbraw/zinc/30/07/34/197300734.db2.gz NILIAXPJZSEEOL-SSDOTTSWSA-N 1 0 318.146 2.424 10 5 DEBERO Cn1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000246337524 145099579 /nfs/dbraw/zinc/09/95/79/145099579.db2.gz UDHHUSVFONFJJL-JKSUJKDBSA-N 1 0 316.361 2.199 10 5 DEBERO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248325456 145150652 /nfs/dbraw/zinc/15/06/52/145150652.db2.gz BFLILKMDVXQFDG-HNNXBMFYSA-N 1 0 305.378 2.274 10 5 DEBERO O=[N+]([O-])c1ccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)c(F)c1 ZINC000261734215 145221262 /nfs/dbraw/zinc/22/12/62/145221262.db2.gz MCGSCYOZQQQMRG-MRXNPFEDSA-N 1 0 316.336 2.275 10 5 DEBERO O=[N+]([O-])c1cccc(F)c1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261764299 145224273 /nfs/dbraw/zinc/22/42/73/145224273.db2.gz OISYLQCLPNHGHQ-INIZCTEOSA-N 1 0 316.336 2.275 10 5 DEBERO CC(C)(C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000261772149 145224926 /nfs/dbraw/zinc/22/49/26/145224926.db2.gz FSTRRRJHNRNEHP-CQSZACIVSA-N 1 0 319.405 2.458 10 5 DEBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000261795658 145227280 /nfs/dbraw/zinc/22/72/80/145227280.db2.gz UHSWGGGOKRSKLH-SNPRPXQTSA-N 1 0 317.389 2.474 10 5 DEBERO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc2c(c1)C[NH2+]C2 ZINC000262563591 145293585 /nfs/dbraw/zinc/29/35/85/145293585.db2.gz WDRFAVHZJNVZDY-UHFFFAOYSA-N 1 0 301.350 2.335 10 5 DEBERO CC1(C)CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000077382850 401813616 /nfs/dbraw/zinc/81/36/16/401813616.db2.gz VTGAJJYBGXTGJA-UHFFFAOYSA-N 1 0 303.362 2.358 10 5 DEBERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000150856754 402000698 /nfs/dbraw/zinc/00/06/98/402000698.db2.gz JETPPYYKEVUAAZ-FZMZJTMJSA-N 1 0 306.366 2.445 10 5 DEBERO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000120973638 402008912 /nfs/dbraw/zinc/00/89/12/402008912.db2.gz DWBPSPQLOXQQTD-WMHVBEDNSA-N 1 0 317.389 2.015 10 5 DEBERO COc1ccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000068222961 402187951 /nfs/dbraw/zinc/18/79/51/402187951.db2.gz ARLLDKIJVNZYQB-CYBMUJFWSA-N 1 0 323.393 2.310 10 5 DEBERO COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000124663385 402191305 /nfs/dbraw/zinc/19/13/05/402191305.db2.gz DGQNCTACVCSXQF-NEPJUHHUSA-N 1 0 321.377 2.158 10 5 DEBERO C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000124829817 402199616 /nfs/dbraw/zinc/19/96/16/402199616.db2.gz ATXSCKTXQPEZSZ-DOMZBBRYSA-N 1 0 305.378 2.078 10 5 DEBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](c3nccs3)C2)n1 ZINC000176222719 402291804 /nfs/dbraw/zinc/29/18/04/402291804.db2.gz KGIJFNUGOCSOFA-NSHDSACASA-N 1 0 307.379 2.127 10 5 DEBERO Cc1sc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177043809 402362725 /nfs/dbraw/zinc/36/27/25/402362725.db2.gz YWBOALGYCWDVCA-WPRPVWTQSA-N 1 0 309.391 2.320 10 5 DEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000177423961 402400653 /nfs/dbraw/zinc/40/06/53/402400653.db2.gz KMGBZPHHGCYLSL-LBPRGKRZSA-N 1 0 320.393 2.042 10 5 DEBERO CCO[C@H]1C[C@](CO)([NH2+]Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000186580247 402443905 /nfs/dbraw/zinc/44/39/05/402443905.db2.gz XBMAMFGQZOVWPX-SMDDNHRTSA-N 1 0 314.407 2.312 10 5 DEBERO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000170687738 402514529 /nfs/dbraw/zinc/51/45/29/402514529.db2.gz PQFQHXJOKDCCTE-LBPRGKRZSA-N 1 0 307.350 2.034 10 5 DEBERO Cc1c(Br)c(NCC[C@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000165817948 402478822 /nfs/dbraw/zinc/47/88/22/402478822.db2.gz BUSMXHWKYGIDBZ-LURJTMIESA-N 1 0 303.160 2.210 10 5 DEBERO Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000245760885 402486674 /nfs/dbraw/zinc/48/66/74/402486674.db2.gz PRQQNWWEZBAIKB-PBHICJAKSA-N 1 0 319.405 2.056 10 5 DEBERO Cc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000246766652 402543858 /nfs/dbraw/zinc/54/38/58/402543858.db2.gz ASTFOSZLDDLIEH-TZMCWYRMSA-N 1 0 303.362 2.212 10 5 DEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000247531786 402571218 /nfs/dbraw/zinc/57/12/18/402571218.db2.gz XPCOQXHMRNGVRH-HIFRSBDPSA-N 1 0 305.378 2.142 10 5 DEBERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000183127398 402741774 /nfs/dbraw/zinc/74/17/74/402741774.db2.gz SSERVQSTJBICNC-SUNKGSAMSA-N 1 0 307.350 2.079 10 5 DEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000175004587 402770889 /nfs/dbraw/zinc/77/08/89/402770889.db2.gz HFTKIQDESIAPBO-GOEBONIOSA-N 1 0 317.389 2.223 10 5 DEBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184516229 402848185 /nfs/dbraw/zinc/84/81/85/402848185.db2.gz UIWMUEDGIJEELC-CYBMUJFWSA-N 1 0 320.393 2.027 10 5 DEBERO CCN1CC[NH+](C[C@@H](C)CNc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302824380 403730515 /nfs/dbraw/zinc/73/05/15/403730515.db2.gz WSXLCWBIVCIOQY-ZDUSSCGKSA-N 1 0 324.400 2.419 10 5 DEBERO C[C@H](CCC[NH3+])Nc1ncc([N+](=O)[O-])cc1Br ZINC000336679922 403910969 /nfs/dbraw/zinc/91/09/69/403910969.db2.gz DIRLLILRISITGL-SSDOTTSWSA-N 1 0 303.160 2.292 10 5 DEBERO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)[C@H]2C1 ZINC000342433749 404574058 /nfs/dbraw/zinc/57/40/58/404574058.db2.gz UUBWEWUIVNHILH-IHRRRGAJSA-N 1 0 323.418 2.393 10 5 DEBERO COC1([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000453117463 405285042 /nfs/dbraw/zinc/28/50/42/405285042.db2.gz KIMORMMUYACVHC-ZDUSSCGKSA-N 1 0 308.378 2.311 10 5 DEBERO CCc1c(C[NH3+])cc(I)cc1[N+](=O)[O-] ZINC000575726952 406825534 /nfs/dbraw/zinc/82/55/34/406825534.db2.gz ZUGKGEHDCSWSCL-UHFFFAOYSA-N 1 0 306.103 2.221 10 5 DEBERO C[C@@H](CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[S@](C)=O ZINC000129392032 196043886 /nfs/dbraw/zinc/04/38/86/196043886.db2.gz PGKHBBNYBVZURR-ZRNGKTOUSA-N 1 0 304.799 2.495 10 5 DEBERO C[NH+](C)CC1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000129516737 196054479 /nfs/dbraw/zinc/05/44/79/196054479.db2.gz VLLOEUIRCQNCPH-UHFFFAOYSA-N 1 0 319.405 2.374 10 5 DEBERO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000299391792 229094137 /nfs/dbraw/zinc/09/41/37/229094137.db2.gz GITFUYTWVWBTGH-CYBMUJFWSA-N 1 0 315.329 2.261 10 5 DEBERO C[C@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000235659132 274591841 /nfs/dbraw/zinc/59/18/41/274591841.db2.gz RWCVPBONLKSRHC-CBAPKCEASA-N 1 0 300.156 2.141 10 5 DEBERO CCOCC[N@@H+]1CCN(c2nc(C)ccc2[N+](=O)[O-])C[C@H]1CC ZINC000124706562 276324004 /nfs/dbraw/zinc/32/40/04/276324004.db2.gz KCLWCGQZDYYUGE-CQSZACIVSA-N 1 0 322.409 2.235 10 5 DEBERO CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246903193 519626063 /nfs/dbraw/zinc/62/60/63/519626063.db2.gz RMTAIXMKMUPGCM-GXTWGEPZSA-N 1 0 305.378 2.456 10 5 DEBERO COc1cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000247009088 522138274 /nfs/dbraw/zinc/13/82/74/522138274.db2.gz HDEMZTXUZXXCPX-WCQYABFASA-N 1 0 321.377 2.062 10 5 DEBERO C[C@@H]1C[C@@H](N(C)C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000153030940 525244136 /nfs/dbraw/zinc/24/41/36/525244136.db2.gz XERHRVQSGCZCOJ-HIFRSBDPSA-N 1 0 319.405 2.469 10 5 DEBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247166387 526077410 /nfs/dbraw/zinc/07/74/10/526077410.db2.gz QWDXJCOUNIOPEL-XJKSGUPXSA-N 1 0 305.378 2.062 10 5 DEBERO COC(=O)/C=C\c1ccc(SCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000255544763 625030202 /nfs/dbraw/zinc/03/02/02/625030202.db2.gz UOKZPDKMDHIFIZ-ALCCZGGFSA-N 1 0 310.375 2.435 10 5 DEBERO C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000235641187 625908237 /nfs/dbraw/zinc/90/82/37/625908237.db2.gz IMBPHTMRBTUBLT-KWQFWETISA-N 1 0 314.183 2.136 10 5 DEBERO [NH3+]C[C@@H]1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000313344341 633514028 /nfs/dbraw/zinc/51/40/28/633514028.db2.gz GDZRIUYBYFTGBC-SECBINFHSA-N 1 0 320.176 2.456 10 5 DEBERO Cn1cc([C@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)cn1 ZINC000172053162 646720068 /nfs/dbraw/zinc/72/00/68/646720068.db2.gz KYNRXLWBQYINNN-NSHDSACASA-N 1 0 304.325 2.457 10 5 DEBERO Cn1cc([C@@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)cn1 ZINC000172053161 646720176 /nfs/dbraw/zinc/72/01/76/646720176.db2.gz KYNRXLWBQYINNN-LLVKDONJSA-N 1 0 304.325 2.457 10 5 DEBERO