smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCNC(=O)C2)c([N+](=O)[O-])c1 ZINC000045287713 483634871 /nfs/dbraw/zinc/63/48/71/483634871.db2.gz ZIXNGNIIKRHVFV-UHFFFAOYSA-N 1 0 371.419 -0.629 20 5 FBBDRO CNC(=O)CN(C)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000045438509 483636229 /nfs/dbraw/zinc/63/62/29/483636229.db2.gz DYMFKTULIZKWLZ-UHFFFAOYSA-N 1 0 373.435 -0.383 20 5 FBBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)NCCN1CCOCC1 ZINC000066452779 484446492 /nfs/dbraw/zinc/44/64/92/484446492.db2.gz CGPFTUNYWJEJAC-UHFFFAOYSA-N 1 0 366.374 -0.218 20 5 FBBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000076458211 483565143 /nfs/dbraw/zinc/56/51/43/483565143.db2.gz FCPLXGDHPCLXMT-LBPRGKRZSA-N 1 0 352.395 -0.115 20 5 FBBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000076458214 483475459 /nfs/dbraw/zinc/47/54/59/483475459.db2.gz FCPLXGDHPCLXMT-GFCCVEGCSA-N 1 0 352.395 -0.115 20 5 FBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000076458945 484760690 /nfs/dbraw/zinc/76/06/90/484760690.db2.gz INENOAAVLBUBCL-LBPRGKRZSA-N 1 0 352.395 -0.197 20 5 FBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000076458948 484759811 /nfs/dbraw/zinc/75/98/11/484759811.db2.gz INENOAAVLBUBCL-GFCCVEGCSA-N 1 0 352.395 -0.197 20 5 FBBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090552642 536368555 /nfs/dbraw/zinc/36/85/55/536368555.db2.gz GTDCASFZLZGBOZ-OAHLLOKOSA-N 1 0 363.418 -0.005 20 5 FBBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090552643 243134060 /nfs/dbraw/zinc/13/40/60/243134060.db2.gz GTDCASFZLZGBOZ-HNNXBMFYSA-N 1 0 363.418 -0.005 20 5 FBBDRO C[NH+](C)CC(=O)N1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000102488297 484513018 /nfs/dbraw/zinc/51/30/18/484513018.db2.gz SBKNEHHZLMJHIB-UHFFFAOYSA-N 1 0 352.395 -0.241 20 5 FBBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103121190 483454023 /nfs/dbraw/zinc/45/40/23/483454023.db2.gz PLDNAKAETWGOGJ-UHFFFAOYSA-N 1 0 364.406 -0.052 20 5 FBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103121825 483453629 /nfs/dbraw/zinc/45/36/29/483453629.db2.gz UTXJMCRATYMGEG-UHFFFAOYSA-N 1 0 364.406 -0.134 20 5 FBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103122037 483455375 /nfs/dbraw/zinc/45/53/75/483455375.db2.gz DOVLHPCUGSWVJY-UHFFFAOYSA-N 1 0 350.379 -0.442 20 5 FBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000119474286 243164127 /nfs/dbraw/zinc/16/41/27/243164127.db2.gz CVXHUJXEBOSWHY-UHFFFAOYSA-N 1 0 350.379 -0.292 20 5 FBBDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000119542582 243165380 /nfs/dbraw/zinc/16/53/80/243165380.db2.gz KBOSYCFMHJFVPE-UHFFFAOYSA-N 1 0 352.395 -0.046 20 5 FBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000127863544 483560535 /nfs/dbraw/zinc/56/05/35/483560535.db2.gz FLEPTNMSUJTRTE-NSHDSACASA-N 1 0 350.379 -0.293 20 5 FBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000127863779 483560671 /nfs/dbraw/zinc/56/06/71/483560671.db2.gz FLEPTNMSUJTRTE-LLVKDONJSA-N 1 0 350.379 -0.293 20 5 FBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000132498350 484962845 /nfs/dbraw/zinc/96/28/45/484962845.db2.gz QURIBHRXMKCQOK-UHFFFAOYSA-N 1 0 352.395 -0.278 20 5 FBBDRO C[NH+]1CCN(c2cc(CNC(=O)Cn3cnc([N+](=O)[O-])n3)ccn2)CC1 ZINC000139427118 484061045 /nfs/dbraw/zinc/06/10/45/484061045.db2.gz MMDKNXHVDUZHPO-UHFFFAOYSA-N 1 0 360.378 -0.351 20 5 FBBDRO C[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)C[NH+]1CCN(C)CC1 ZINC000151278672 243187052 /nfs/dbraw/zinc/18/70/52/243187052.db2.gz LJILBOJMBMUFLG-ZDUSSCGKSA-N 1 0 353.427 -0.026 20 5 FBBDRO C[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)C[NH+]1CCN(C)CC1 ZINC000151278746 243186910 /nfs/dbraw/zinc/18/69/10/243186910.db2.gz LJILBOJMBMUFLG-CYBMUJFWSA-N 1 0 353.427 -0.026 20 5 FBBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000152258566 536368723 /nfs/dbraw/zinc/36/87/23/536368723.db2.gz XRWHDUFZUVRYCS-GFCCVEGCSA-N 1 0 350.379 -0.444 20 5 FBBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000152258677 536388522 /nfs/dbraw/zinc/38/85/22/536388522.db2.gz XRWHDUFZUVRYCS-LBPRGKRZSA-N 1 0 350.379 -0.444 20 5 FBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000152659864 243186547 /nfs/dbraw/zinc/18/65/47/243186547.db2.gz WBAUMRQJVKFJSO-ZDUSSCGKSA-N 1 0 364.406 -0.135 20 5 FBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000152659995 243187986 /nfs/dbraw/zinc/18/79/86/243187986.db2.gz WBAUMRQJVKFJSO-CYBMUJFWSA-N 1 0 364.406 -0.135 20 5 FBBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000152686889 536368469 /nfs/dbraw/zinc/36/84/69/536368469.db2.gz TUDFWUUQJUPMJF-CQSZACIVSA-N 1 0 364.406 -0.054 20 5 FBBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000152686998 536389150 /nfs/dbraw/zinc/38/91/50/536389150.db2.gz TUDFWUUQJUPMJF-AWEZNQCLSA-N 1 0 364.406 -0.054 20 5 FBBDRO O=C(C[NH+]1CCCC1)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159806561 484254602 /nfs/dbraw/zinc/25/46/02/484254602.db2.gz KCCLYCVOWQILLQ-UHFFFAOYSA-N 1 0 363.418 -0.004 20 5 FBBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000162481818 536368366 /nfs/dbraw/zinc/36/83/66/536368366.db2.gz LBEXWXOKYNJNOZ-LSDHHAIUSA-N 1 0 366.422 -0.609 20 5 FBBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000162481972 243200434 /nfs/dbraw/zinc/20/04/34/243200434.db2.gz LBEXWXOKYNJNOZ-GJZGRUSLSA-N 1 0 366.422 -0.609 20 5 FBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000171340521 485019074 /nfs/dbraw/zinc/01/90/74/485019074.db2.gz QFHSYKPGVGXXQC-UHFFFAOYSA-N 1 0 350.379 -0.442 20 5 FBBDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000171560381 243210270 /nfs/dbraw/zinc/21/02/70/243210270.db2.gz PKORWINAWXAFLT-UHFFFAOYSA-N 1 0 352.395 -0.196 20 5 FBBDRO CC[NH+](CC)CC(=O)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173663304 535489613 /nfs/dbraw/zinc/48/96/13/535489613.db2.gz YRDKNLBRKNQBAF-HNNXBMFYSA-N 1 0 368.438 -0.362 20 5 FBBDRO CC[NH+](CC)CC(=O)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173663321 535490185 /nfs/dbraw/zinc/49/01/85/535490185.db2.gz YRDKNLBRKNQBAF-OAHLLOKOSA-N 1 0 368.438 -0.362 20 5 FBBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000178140544 483753528 /nfs/dbraw/zinc/75/35/28/483753528.db2.gz TXYJDNXXGQTJAR-CYBMUJFWSA-N 1 0 350.379 -0.444 20 5 FBBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000178140556 483753158 /nfs/dbraw/zinc/75/31/58/483753158.db2.gz TXYJDNXXGQTJAR-ZDUSSCGKSA-N 1 0 350.379 -0.444 20 5 FBBDRO O=C(CN1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1)N1CCCC1 ZINC000192980758 243256160 /nfs/dbraw/zinc/25/61/60/243256160.db2.gz QZOMAMBJERODPT-UHFFFAOYSA-N 1 0 364.406 -0.052 20 5 FBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000193664657 243257103 /nfs/dbraw/zinc/25/71/03/243257103.db2.gz NPQSMQZNOQELKN-GFCCVEGCSA-N 1 0 352.395 -0.054 20 5 FBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000193664666 243257377 /nfs/dbraw/zinc/25/73/77/243257377.db2.gz NPQSMQZNOQELKN-LBPRGKRZSA-N 1 0 352.395 -0.054 20 5 FBBDRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000195341050 845453604 /nfs/dbraw/zinc/45/36/04/845453604.db2.gz YXDYZKHEKIDVAS-UHFFFAOYSA-N 1 0 352.395 -0.292 20 5 FBBDRO CC(C)(C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)n1cc([N+](=O)[O-])cn1 ZINC000236690137 535016229 /nfs/dbraw/zinc/01/62/29/535016229.db2.gz DWAAOSIBRXOYCQ-LLVKDONJSA-N 1 0 352.395 -0.160 20 5 FBBDRO CC(C)(C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)n1cc([N+](=O)[O-])cn1 ZINC000236691034 535019174 /nfs/dbraw/zinc/01/91/74/535019174.db2.gz DWAAOSIBRXOYCQ-NSHDSACASA-N 1 0 352.395 -0.160 20 5 FBBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000248008937 243274962 /nfs/dbraw/zinc/27/49/62/243274962.db2.gz LBEXWXOKYNJNOZ-CABCVRRESA-N 1 0 366.422 -0.609 20 5 FBBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000248008942 536368655 /nfs/dbraw/zinc/36/86/55/536368655.db2.gz LBEXWXOKYNJNOZ-HUUCEWRRSA-N 1 0 366.422 -0.609 20 5 FBBDRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261597702 243280674 /nfs/dbraw/zinc/28/06/74/243280674.db2.gz AFVCRNLRHDPIOH-UHFFFAOYSA-N 1 0 360.367 -0.214 20 5 FBBDRO COc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000261605490 243281796 /nfs/dbraw/zinc/28/17/96/243281796.db2.gz CPIPZLYNGNCMQI-UHFFFAOYSA-N 1 0 372.403 -0.344 20 5 FBBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000261625010 243279607 /nfs/dbraw/zinc/27/96/07/243279607.db2.gz GQBNHQXJNHYUBB-UHFFFAOYSA-N 1 0 372.403 -0.344 20 5 FBBDRO CN(CC(=O)N1CC[NH2+]CC1)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000261632962 243280693 /nfs/dbraw/zinc/28/06/93/243280693.db2.gz HPBPAMWHYBTKOG-UHFFFAOYSA-N 1 0 356.404 -0.134 20 5 FBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261649116 243279820 /nfs/dbraw/zinc/27/98/20/243279820.db2.gz AEXHAMOYWFATBH-CHWSQXEVSA-N 1 0 364.406 -0.102 20 5 FBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261649120 243281699 /nfs/dbraw/zinc/28/16/99/243281699.db2.gz AEXHAMOYWFATBH-OLZOCXBDSA-N 1 0 364.406 -0.102 20 5 FBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261649124 243281419 /nfs/dbraw/zinc/28/14/19/243281419.db2.gz AEXHAMOYWFATBH-QWHCGFSZSA-N 1 0 364.406 -0.102 20 5 FBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261649127 243280334 /nfs/dbraw/zinc/28/03/34/243280334.db2.gz AEXHAMOYWFATBH-STQMWFEESA-N 1 0 364.406 -0.102 20 5 FBBDRO C[C@@H]([NH3+])C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000261680873 243280628 /nfs/dbraw/zinc/28/06/28/243280628.db2.gz BJRJNTAYGSMPCB-SNVBAGLBSA-N 1 0 356.404 -0.006 20 5 FBBDRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000261692222 243283342 /nfs/dbraw/zinc/28/33/42/243283342.db2.gz NUOPHGSZVJHKCI-UHFFFAOYSA-N 1 0 360.367 -0.214 20 5 FBBDRO COc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000261773811 243286038 /nfs/dbraw/zinc/28/60/38/243286038.db2.gz XDAYEIHSXOPRCT-UHFFFAOYSA-N 1 0 372.403 -0.344 20 5 FBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261776945 243285702 /nfs/dbraw/zinc/28/57/02/243285702.db2.gz FYNQXPTVBABHIA-JTQLQIEISA-N 1 0 350.301 -0.256 20 5 FBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261776948 243286363 /nfs/dbraw/zinc/28/63/63/243286363.db2.gz FYNQXPTVBABHIA-SNVBAGLBSA-N 1 0 350.301 -0.256 20 5 FBBDRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261821051 243285894 /nfs/dbraw/zinc/28/58/94/243285894.db2.gz HHFFTOBIHBIAPA-UHFFFAOYSA-N 1 0 356.404 -0.212 20 5 FBBDRO [NH3+]C[C@H]1CC[C@@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000261843735 243286579 /nfs/dbraw/zinc/28/65/79/243286579.db2.gz QVUZHMIWRYNSNY-YPMHNXCESA-N 1 0 372.403 -0.504 20 5 FBBDRO C[NH2+][C@H](C)CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000261851687 536391602 /nfs/dbraw/zinc/39/16/02/536391602.db2.gz XJUKMXANCUNRDB-SECBINFHSA-N 1 0 359.408 -0.232 20 5 FBBDRO C[NH2+][C@@H](C)CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000261851689 243286998 /nfs/dbraw/zinc/28/69/98/243286998.db2.gz XJUKMXANCUNRDB-VIFPVBQESA-N 1 0 359.408 -0.232 20 5 FBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261853550 243286030 /nfs/dbraw/zinc/28/60/30/243286030.db2.gz MPPDDFCJDBYJGX-GXTWGEPZSA-N 1 0 364.406 -0.102 20 5 FBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261853552 243285794 /nfs/dbraw/zinc/28/57/94/243285794.db2.gz MPPDDFCJDBYJGX-JSGCOSHPSA-N 1 0 364.406 -0.102 20 5 FBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261853555 243286716 /nfs/dbraw/zinc/28/67/16/243286716.db2.gz MPPDDFCJDBYJGX-OCCSQVGLSA-N 1 0 364.406 -0.102 20 5 FBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261853556 243285646 /nfs/dbraw/zinc/28/56/46/243285646.db2.gz MPPDDFCJDBYJGX-TZMCWYRMSA-N 1 0 364.406 -0.102 20 5 FBBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000261869374 243288429 /nfs/dbraw/zinc/28/84/29/243288429.db2.gz LDGKRQFATIBIHJ-UHFFFAOYSA-N 1 0 356.404 -0.044 20 5 FBBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000261883996 243290023 /nfs/dbraw/zinc/29/00/23/243290023.db2.gz MXIJBVDGSQJFGE-UHFFFAOYSA-N 1 0 356.404 -0.044 20 5 FBBDRO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000261887310 243288886 /nfs/dbraw/zinc/28/88/86/243288886.db2.gz SRLBPESBJQAPON-SNVBAGLBSA-N 1 0 372.403 -0.217 20 5 FBBDRO NS(=O)(=O)c1ccc(NCCC(=O)N[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000261901751 243288411 /nfs/dbraw/zinc/28/84/11/243288411.db2.gz WETLMQFGIUUBBW-JTQLQIEISA-N 1 0 371.419 -0.088 20 5 FBBDRO C[C@H]1C[NH2+]CCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000261932329 243289110 /nfs/dbraw/zinc/28/91/10/243289110.db2.gz DGTLBVHWFYUZKU-JTQLQIEISA-N 1 0 371.419 -0.136 20 5 FBBDRO C[C@@H]1C[NH2+]CCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000261932336 243288909 /nfs/dbraw/zinc/28/89/09/243288909.db2.gz DGTLBVHWFYUZKU-SNVBAGLBSA-N 1 0 371.419 -0.136 20 5 FBBDRO Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000261937452 243291828 /nfs/dbraw/zinc/29/18/28/243291828.db2.gz UENSINKHDILHJI-UHFFFAOYSA-N 1 0 356.404 -0.044 20 5 FBBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000261960786 243292977 /nfs/dbraw/zinc/29/29/77/243292977.db2.gz XSOTVDRDCJAVGH-UHFFFAOYSA-N 1 0 356.404 -0.044 20 5 FBBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000261968962 243292722 /nfs/dbraw/zinc/29/27/22/243292722.db2.gz YRRVMANKYQKRGZ-UHFFFAOYSA-N 1 0 356.404 -0.044 20 5 FBBDRO C[NH2+]CC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000261986761 243291579 /nfs/dbraw/zinc/29/15/79/243291579.db2.gz KFASNFFSELEIJH-UHFFFAOYSA-N 1 0 356.404 -0.044 20 5 FBBDRO C[NH2+]CC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000261992309 243291091 /nfs/dbraw/zinc/29/10/91/243291091.db2.gz MKPGWUOPKHVIOX-UHFFFAOYSA-N 1 0 356.404 -0.134 20 5 FBBDRO [NH3+]C[C@H]1CC[C@@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)O1 ZINC000262064796 243294567 /nfs/dbraw/zinc/29/45/67/243294567.db2.gz SAGVCYHQFXENCG-YPMHNXCESA-N 1 0 372.403 -0.504 20 5 FBBDRO C[C@H]([NH3+])C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000262082832 243298239 /nfs/dbraw/zinc/29/82/39/243298239.db2.gz BJRJNTAYGSMPCB-JTQLQIEISA-N 1 0 356.404 -0.006 20 5 FBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262091771 243297084 /nfs/dbraw/zinc/29/70/84/243297084.db2.gz UNBCUXDCFNUXGW-SECBINFHSA-N 1 0 350.301 -0.256 20 5 FBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262091773 243298514 /nfs/dbraw/zinc/29/85/14/243298514.db2.gz UNBCUXDCFNUXGW-VIFPVBQESA-N 1 0 350.301 -0.256 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000262103956 243298337 /nfs/dbraw/zinc/29/83/37/243298337.db2.gz DVWYNGWKYUMEJR-UHFFFAOYSA-N 1 0 356.404 -0.011 20 5 FBBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCN1CC[NH2+]CC1 ZINC000262113585 243298575 /nfs/dbraw/zinc/29/85/75/243298575.db2.gz FOCHOKSRIBTTMV-UHFFFAOYSA-N 1 0 363.374 -0.658 20 5 FBBDRO CS(=O)(=O)c1ccc(N2CCN(C(=O)CC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000262123143 243300632 /nfs/dbraw/zinc/30/06/32/243300632.db2.gz JBPHBBCLEFDKNX-UHFFFAOYSA-N 1 0 356.404 -0.004 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000262136742 243299278 /nfs/dbraw/zinc/29/92/78/243299278.db2.gz ODNAQMWHCXATDY-UHFFFAOYSA-N 1 0 356.404 -0.011 20 5 FBBDRO COCC[NH2+]CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262143709 243300754 /nfs/dbraw/zinc/30/07/54/243300754.db2.gz QBFBKAAMRMWWSC-UHFFFAOYSA-N 1 0 374.419 -0.433 20 5 FBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262156938 243299956 /nfs/dbraw/zinc/29/99/56/243299956.db2.gz XSYLNYKVGFXOGJ-MRVPVSSYSA-N 1 0 351.289 -0.861 20 5 FBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262156939 243299366 /nfs/dbraw/zinc/29/93/66/243299366.db2.gz XSYLNYKVGFXOGJ-QMMMGPOBSA-N 1 0 351.289 -0.861 20 5 FBBDRO COc1ccc(S(=O)(=O)N2CCN(C(=O)CC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000262178436 536869826 /nfs/dbraw/zinc/86/98/26/536869826.db2.gz GFKGKRVVCXTJIX-UHFFFAOYSA-N 1 0 372.403 -0.215 20 5 FBBDRO CS(=O)(=O)c1ccc(N2CCN(C(=O)C3C[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000262183515 243303057 /nfs/dbraw/zinc/30/30/57/243303057.db2.gz DYKZVFXZHVZMMS-UHFFFAOYSA-N 1 0 368.415 -0.134 20 5 FBBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262186557 243301755 /nfs/dbraw/zinc/30/17/55/243301755.db2.gz FJEMVILKACDPBJ-UHFFFAOYSA-N 1 0 368.415 -0.044 20 5 FBBDRO COCC[NH2+]CCNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000262188714 243301836 /nfs/dbraw/zinc/30/18/36/243301836.db2.gz XZLMBYRRKXXRPZ-UHFFFAOYSA-N 1 0 360.392 -0.484 20 5 FBBDRO O=C(C1C[NH2+]C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000262219984 243306362 /nfs/dbraw/zinc/30/63/62/243306362.db2.gz KFIBJEXDFWYYIG-UHFFFAOYSA-N 1 0 354.388 -0.353 20 5 FBBDRO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000262255652 243305025 /nfs/dbraw/zinc/30/50/25/243305025.db2.gz SRLBPESBJQAPON-JTQLQIEISA-N 1 0 372.403 -0.217 20 5 FBBDRO O=C(C1C[NH2+]C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000262287097 243308922 /nfs/dbraw/zinc/30/89/22/243308922.db2.gz WVYRQJHZSDUQMB-UHFFFAOYSA-N 1 0 354.388 -0.353 20 5 FBBDRO O=C(C[C@@H]1COCC[NH2+]1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262292826 243307158 /nfs/dbraw/zinc/30/71/58/243307158.db2.gz YTJUIOYRYBSRSM-LLVKDONJSA-N 1 0 372.403 -0.632 20 5 FBBDRO O=C(C[C@H]1COCC[NH2+]1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262292835 243308963 /nfs/dbraw/zinc/30/89/63/243308963.db2.gz YTJUIOYRYBSRSM-NSHDSACASA-N 1 0 372.403 -0.632 20 5 FBBDRO [NH3+]C1(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000262301665 243307498 /nfs/dbraw/zinc/30/74/98/243307498.db2.gz KWGCPPHBYLMEOQ-UHFFFAOYSA-N 1 0 354.388 -0.081 20 5 FBBDRO CN(CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262305248 243311161 /nfs/dbraw/zinc/31/11/61/243311161.db2.gz AFHMFWBXEPIXJL-TXEJJXNPSA-N 1 0 368.415 -0.107 20 5 FBBDRO O=C(C[C@@H]1COCC[NH2+]1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262314917 243311506 /nfs/dbraw/zinc/31/15/06/243311506.db2.gz CDUHRVXZJJMKBO-LLVKDONJSA-N 1 0 372.403 -0.632 20 5 FBBDRO O=C(C[C@H]1COCC[NH2+]1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262314922 243309520 /nfs/dbraw/zinc/30/95/20/243309520.db2.gz CDUHRVXZJJMKBO-NSHDSACASA-N 1 0 372.403 -0.632 20 5 FBBDRO [NH3+]C1(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000262320739 243310237 /nfs/dbraw/zinc/31/02/37/243310237.db2.gz RGQPVTAOJFNZTL-UHFFFAOYSA-N 1 0 354.388 -0.081 20 5 FBBDRO CCn1cc(S(=O)(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c([N+](=O)[O-])n1 ZINC000262333747 243310008 /nfs/dbraw/zinc/31/00/08/243310008.db2.gz RXHHQPRJWRISPX-LLVKDONJSA-N 1 0 358.424 -0.521 20 5 FBBDRO CCn1cc(S(=O)(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c([N+](=O)[O-])n1 ZINC000262333748 243309638 /nfs/dbraw/zinc/30/96/38/243309638.db2.gz RXHHQPRJWRISPX-NSHDSACASA-N 1 0 358.424 -0.521 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000262430527 243315678 /nfs/dbraw/zinc/31/56/78/243315678.db2.gz JFBLXXSVTZWKRD-LLVKDONJSA-N 1 0 356.404 -0.011 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000262430531 243316166 /nfs/dbraw/zinc/31/61/66/243316166.db2.gz JFBLXXSVTZWKRD-NSHDSACASA-N 1 0 356.404 -0.011 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000262434273 243316478 /nfs/dbraw/zinc/31/64/78/243316478.db2.gz LAZRJPCZEXSIRM-LLVKDONJSA-N 1 0 356.404 -0.011 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000262434274 243315129 /nfs/dbraw/zinc/31/51/29/243315129.db2.gz LAZRJPCZEXSIRM-NSHDSACASA-N 1 0 356.404 -0.011 20 5 FBBDRO NS(=O)(=O)c1ccc(NCCC(=O)N2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000262463645 243317994 /nfs/dbraw/zinc/31/79/94/243317994.db2.gz BGWWLUVWATWFPS-UHFFFAOYSA-N 1 0 371.419 -0.134 20 5 FBBDRO NS(=O)(=O)c1ccc(NCCC(=O)N[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000262465118 243319829 /nfs/dbraw/zinc/31/98/29/243319829.db2.gz CGWNIEJVTVNURD-SECBINFHSA-N 1 0 357.392 -0.478 20 5 FBBDRO NS(=O)(=O)c1ccc(NCCC(=O)N[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000262465121 243318582 /nfs/dbraw/zinc/31/85/82/243318582.db2.gz CGWNIEJVTVNURD-VIFPVBQESA-N 1 0 357.392 -0.478 20 5 FBBDRO NS(=O)(=O)c1ccc(NCCC(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000262468337 243317884 /nfs/dbraw/zinc/31/78/84/243317884.db2.gz FVGCPBFZYJHKKA-UHFFFAOYSA-N 1 0 357.392 -0.524 20 5 FBBDRO NS(=O)(=O)c1ccc(NCCC(=O)N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000262471420 243319197 /nfs/dbraw/zinc/31/91/97/243319197.db2.gz KDOMULSITRUIIS-SECBINFHSA-N 1 0 357.392 -0.396 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000262496582 243322025 /nfs/dbraw/zinc/32/20/25/243322025.db2.gz ZYANJGQWXVKKJG-LLVKDONJSA-N 1 0 356.404 -0.011 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000262496584 243320723 /nfs/dbraw/zinc/32/07/23/243320723.db2.gz ZYANJGQWXVKKJG-NSHDSACASA-N 1 0 356.404 -0.011 20 5 FBBDRO O=C(C[C@@H]1COCC[NH2+]1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262496702 243322196 /nfs/dbraw/zinc/32/21/96/243322196.db2.gz IGSHWCSJKMODMO-LLVKDONJSA-N 1 0 372.403 -0.632 20 5 FBBDRO O=C(C[C@H]1COCC[NH2+]1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262496703 243320632 /nfs/dbraw/zinc/32/06/32/243320632.db2.gz IGSHWCSJKMODMO-NSHDSACASA-N 1 0 372.403 -0.632 20 5 FBBDRO NC(=O)c1ccc(SCC(=O)NCCN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000262502288 243321269 /nfs/dbraw/zinc/32/12/69/243321269.db2.gz DDQXIWYEBVWMQY-UHFFFAOYSA-N 1 0 367.431 -0.193 20 5 FBBDRO CS(=O)(=O)c1cc(C(=O)NCCN2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000262504728 243322313 /nfs/dbraw/zinc/32/23/13/243322313.db2.gz GBHLIIBWLPPYSC-UHFFFAOYSA-N 1 0 356.404 -0.367 20 5 FBBDRO NS(=O)(=O)c1ccc(NCCC(=O)N2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000262507760 243320464 /nfs/dbraw/zinc/32/04/64/243320464.db2.gz LLOBAPOBGSAMAN-JTQLQIEISA-N 1 0 371.419 -0.006 20 5 FBBDRO NS(=O)(=O)c1ccc(NCCC(=O)N2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000262507761 243321101 /nfs/dbraw/zinc/32/11/01/243321101.db2.gz LLOBAPOBGSAMAN-SNVBAGLBSA-N 1 0 371.419 -0.006 20 5 FBBDRO NS(=O)(=O)c1ccc(NCCC(=O)NC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000262527402 243324376 /nfs/dbraw/zinc/32/43/76/243324376.db2.gz BSANIVDVQJLYPF-JTQLQIEISA-N 1 0 371.419 -0.088 20 5 FBBDRO NS(=O)(=O)c1ccc(NCCC(=O)NC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000262527403 243324337 /nfs/dbraw/zinc/32/43/37/243324337.db2.gz BSANIVDVQJLYPF-SNVBAGLBSA-N 1 0 371.419 -0.088 20 5 FBBDRO CC[NH2+]CCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000262534988 535465072 /nfs/dbraw/zinc/46/50/72/535465072.db2.gz MNXOWVLVZZBGRR-UHFFFAOYSA-N 1 0 359.408 -0.230 20 5 FBBDRO C[C@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000262548868 243323386 /nfs/dbraw/zinc/32/33/86/243323386.db2.gz OLFCUDGSDZDPKX-JTQLQIEISA-N 1 0 356.404 -0.155 20 5 FBBDRO C[C@@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000262548869 243323071 /nfs/dbraw/zinc/32/30/71/243323071.db2.gz OLFCUDGSDZDPKX-SNVBAGLBSA-N 1 0 356.404 -0.155 20 5 FBBDRO C[C@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000262566516 243326639 /nfs/dbraw/zinc/32/66/39/243326639.db2.gz RSZFIYDHPZYNKB-JTQLQIEISA-N 1 0 356.404 -0.155 20 5 FBBDRO C[C@@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000262566517 243326134 /nfs/dbraw/zinc/32/61/34/243326134.db2.gz RSZFIYDHPZYNKB-SNVBAGLBSA-N 1 0 356.404 -0.155 20 5 FBBDRO C[C@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000262593670 243326540 /nfs/dbraw/zinc/32/65/40/243326540.db2.gz GCJIHXPIQOAAHR-JTQLQIEISA-N 1 0 371.419 -0.136 20 5 FBBDRO C[C@@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000262593672 243325573 /nfs/dbraw/zinc/32/55/73/243325573.db2.gz GCJIHXPIQOAAHR-SNVBAGLBSA-N 1 0 371.419 -0.136 20 5 FBBDRO COCC[NH2+]CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262601439 243325601 /nfs/dbraw/zinc/32/56/01/243325601.db2.gz CPRJAZYRECWFHL-UHFFFAOYSA-N 1 0 360.392 -0.775 20 5 FBBDRO C[C@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000262606491 243324996 /nfs/dbraw/zinc/32/49/96/243324996.db2.gz YFRCPNVKHUQISY-JTQLQIEISA-N 1 0 356.404 -0.155 20 5 FBBDRO C[C@@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000262606492 243325974 /nfs/dbraw/zinc/32/59/74/243325974.db2.gz YFRCPNVKHUQISY-SNVBAGLBSA-N 1 0 356.404 -0.155 20 5 FBBDRO C[C@H](C[NH3+])N(C)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000262611760 243329403 /nfs/dbraw/zinc/32/94/03/243329403.db2.gz XLMNXJUXLLGRDG-SECBINFHSA-N 1 0 359.408 -0.150 20 5 FBBDRO C[C@@H](C[NH3+])N(C)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000262611763 243328758 /nfs/dbraw/zinc/32/87/58/243328758.db2.gz XLMNXJUXLLGRDG-VIFPVBQESA-N 1 0 359.408 -0.150 20 5 FBBDRO CS(=O)(=O)c1ccc(NCCNC(=O)[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000262612763 243327901 /nfs/dbraw/zinc/32/79/01/243327901.db2.gz DYGWTPSSNDOQJD-CYBMUJFWSA-N 1 0 372.403 -0.485 20 5 FBBDRO CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000262612765 243329470 /nfs/dbraw/zinc/32/94/70/243329470.db2.gz DYGWTPSSNDOQJD-ZDUSSCGKSA-N 1 0 372.403 -0.485 20 5 FBBDRO COCC[NH2+]CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262615681 243328533 /nfs/dbraw/zinc/32/85/33/243328533.db2.gz LSKDBTRYMFJYLU-UHFFFAOYSA-N 1 0 360.392 -0.775 20 5 FBBDRO O=C(C[NH2+]CC1CC1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262619556 243328456 /nfs/dbraw/zinc/32/84/56/243328456.db2.gz NCZPHBDRRJTKGF-UHFFFAOYSA-N 1 0 356.404 -0.011 20 5 FBBDRO O=C(C[NH2+]CC1CC1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262621317 243328016 /nfs/dbraw/zinc/32/80/16/243328016.db2.gz PIKBDRWRVPRSAV-UHFFFAOYSA-N 1 0 356.404 -0.011 20 5 FBBDRO NS(=O)(=O)c1ccc(NCCC(=O)N2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000262622985 243329077 /nfs/dbraw/zinc/32/90/77/243329077.db2.gz JNLZQWOYUQPWDM-JTQLQIEISA-N 1 0 371.419 -0.006 20 5 FBBDRO NS(=O)(=O)c1ccc(NCCC(=O)N2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000262622987 243328269 /nfs/dbraw/zinc/32/82/69/243328269.db2.gz JNLZQWOYUQPWDM-SNVBAGLBSA-N 1 0 371.419 -0.006 20 5 FBBDRO O=C(C[NH2+]CC1CC1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262629491 243328340 /nfs/dbraw/zinc/32/83/40/243328340.db2.gz JZLRBKPBYBLVRZ-UHFFFAOYSA-N 1 0 356.404 -0.011 20 5 FBBDRO COCC[NH2+]CCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000262630920 243327531 /nfs/dbraw/zinc/32/75/31/243327531.db2.gz FSEUFHVFTZXKQN-UHFFFAOYSA-N 1 0 352.347 -0.328 20 5 FBBDRO CN(C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000262644851 243329536 /nfs/dbraw/zinc/32/95/36/243329536.db2.gz UMAZHZUICWJLLS-JTQLQIEISA-N 1 0 371.419 -0.136 20 5 FBBDRO CN(C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000262644853 243329571 /nfs/dbraw/zinc/32/95/71/243329571.db2.gz UMAZHZUICWJLLS-SNVBAGLBSA-N 1 0 371.419 -0.136 20 5 FBBDRO COCC[NH2+]CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262659418 243332610 /nfs/dbraw/zinc/33/26/10/243332610.db2.gz YQNVKDNNMNNJJW-UHFFFAOYSA-N 1 0 360.392 -0.775 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000262712191 243331786 /nfs/dbraw/zinc/33/17/86/243331786.db2.gz RMDGXIAMOYUBOW-UHFFFAOYSA-N 1 0 356.404 -0.011 20 5 FBBDRO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NCCN1CC[NH2+]CC1)OCCO2 ZINC000262725950 243335281 /nfs/dbraw/zinc/33/52/81/243335281.db2.gz AGILDQDXJLJDJA-UHFFFAOYSA-N 1 0 372.403 -0.451 20 5 FBBDRO C[NH2+]CCCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000262729489 243333905 /nfs/dbraw/zinc/33/39/05/243333905.db2.gz BWMVRHSXGUTSLU-UHFFFAOYSA-N 1 0 359.408 -0.230 20 5 FBBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000262761517 243335194 /nfs/dbraw/zinc/33/51/94/243335194.db2.gz IQNYGVKEHGEBGT-GFCCVEGCSA-N 1 0 365.390 -0.397 20 5 FBBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000262761521 243334344 /nfs/dbraw/zinc/33/43/44/243334344.db2.gz IQNYGVKEHGEBGT-LBPRGKRZSA-N 1 0 365.390 -0.397 20 5 FBBDRO COCC[NH2+]CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262765537 243337362 /nfs/dbraw/zinc/33/73/62/243337362.db2.gz KQAGTCYUAXOXKT-UHFFFAOYSA-N 1 0 361.376 -0.120 20 5 FBBDRO NS(=O)(=O)c1ccc(NCCC(=O)N[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000262775292 243336600 /nfs/dbraw/zinc/33/66/00/243336600.db2.gz WETLMQFGIUUBBW-SNVBAGLBSA-N 1 0 371.419 -0.088 20 5 FBBDRO COc1c(F)cc(S(=O)(=O)NCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000262781941 243336758 /nfs/dbraw/zinc/33/67/58/243336758.db2.gz PHEJPNAMMKJAJC-UHFFFAOYSA-N 1 0 362.383 -0.074 20 5 FBBDRO CO[C@@H](C[NH3+])CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262789123 243336183 /nfs/dbraw/zinc/33/61/83/243336183.db2.gz NNBQKOANNNGRDT-LLVKDONJSA-N 1 0 360.392 -0.647 20 5 FBBDRO CO[C@H](C[NH3+])CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262789127 536564782 /nfs/dbraw/zinc/56/47/82/536564782.db2.gz NNBQKOANNNGRDT-NSHDSACASA-N 1 0 360.392 -0.647 20 5 FBBDRO CO[C@H](C[NH3+])CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262793805 536564937 /nfs/dbraw/zinc/56/49/37/536564937.db2.gz DJTJEUDHOXAFST-JTQLQIEISA-N 1 0 360.392 -0.647 20 5 FBBDRO CO[C@@H](C[NH3+])CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262793806 243338304 /nfs/dbraw/zinc/33/83/04/243338304.db2.gz DJTJEUDHOXAFST-SNVBAGLBSA-N 1 0 360.392 -0.647 20 5 FBBDRO CO[C@@H](C[NH3+])CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262954532 243343765 /nfs/dbraw/zinc/34/37/65/243343765.db2.gz VUBMWEIHHIUOIP-LLVKDONJSA-N 1 0 360.392 -0.647 20 5 FBBDRO CO[C@H](C[NH3+])CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262954535 536564601 /nfs/dbraw/zinc/56/46/01/536564601.db2.gz VUBMWEIHHIUOIP-NSHDSACASA-N 1 0 360.392 -0.647 20 5 FBBDRO CO[C@H](C[NH3+])CC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000262956566 536564547 /nfs/dbraw/zinc/56/45/47/536564547.db2.gz WCBZSNPKHNQZMF-JTQLQIEISA-N 1 0 374.419 -0.110 20 5 FBBDRO CO[C@@H](C[NH3+])CC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000262956567 243343876 /nfs/dbraw/zinc/34/38/76/243343876.db2.gz WCBZSNPKHNQZMF-SNVBAGLBSA-N 1 0 374.419 -0.110 20 5 FBBDRO C[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000263108331 243345294 /nfs/dbraw/zinc/34/52/94/243345294.db2.gz DISWPHVWPOMPFN-UHFFFAOYSA-N 1 0 372.403 -0.344 20 5 FBBDRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000263113022 536870306 /nfs/dbraw/zinc/87/03/06/536870306.db2.gz FAIFLRLLEHHEKC-UHFFFAOYSA-N 1 0 358.376 -0.605 20 5 FBBDRO C[NH2+]CCN(C)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000263268690 243350604 /nfs/dbraw/zinc/35/06/04/243350604.db2.gz WFRWAZNKJCOFOW-UHFFFAOYSA-N 1 0 359.408 -0.278 20 5 FBBDRO C[NH+](C)CC(=O)N1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000263655225 243351426 /nfs/dbraw/zinc/35/14/26/243351426.db2.gz CNWKSAAMNXVTAV-UHFFFAOYSA-N 1 0 371.419 -0.548 20 5 FBBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000263693873 243354363 /nfs/dbraw/zinc/35/43/63/243354363.db2.gz JQDSFYFSQSSPEW-GFCCVEGCSA-N 1 0 352.395 -0.150 20 5 FBBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000263693875 243356350 /nfs/dbraw/zinc/35/63/50/243356350.db2.gz JQDSFYFSQSSPEW-LBPRGKRZSA-N 1 0 352.395 -0.150 20 5 FBBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000263712268 243355634 /nfs/dbraw/zinc/35/56/34/243355634.db2.gz QNLFWGNOPPSTMZ-CYBMUJFWSA-N 1 0 352.395 -0.150 20 5 FBBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000263712271 243356333 /nfs/dbraw/zinc/35/63/33/243356333.db2.gz QNLFWGNOPPSTMZ-ZDUSSCGKSA-N 1 0 352.395 -0.150 20 5 FBBDRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000263724556 243358832 /nfs/dbraw/zinc/35/88/32/243358832.db2.gz DTWPBOXYTFEMCH-UHFFFAOYSA-N 1 0 356.404 -0.011 20 5 FBBDRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000263761365 243358616 /nfs/dbraw/zinc/35/86/16/243358616.db2.gz LBYPGFUUAFUDRJ-UHFFFAOYSA-N 1 0 356.404 -0.011 20 5 FBBDRO COCC[N@H+](C)CCNC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000263786572 243360970 /nfs/dbraw/zinc/36/09/70/243360970.db2.gz QUMJWTZQJHMWNL-CABCVRRESA-N 1 0 370.406 -0.134 20 5 FBBDRO COCC[N@H+](C)CCNC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000263786574 243362159 /nfs/dbraw/zinc/36/21/59/243362159.db2.gz QUMJWTZQJHMWNL-GJZGRUSLSA-N 1 0 370.406 -0.134 20 5 FBBDRO COCC[N@H+](C)CCNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000263786577 243361305 /nfs/dbraw/zinc/36/13/05/243361305.db2.gz QUMJWTZQJHMWNL-HUUCEWRRSA-N 1 0 370.406 -0.134 20 5 FBBDRO COCC[N@H+](C)CCNC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000263786581 243361134 /nfs/dbraw/zinc/36/11/34/243361134.db2.gz QUMJWTZQJHMWNL-LSDHHAIUSA-N 1 0 370.406 -0.134 20 5 FBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000264478545 243396893 /nfs/dbraw/zinc/39/68/93/243396893.db2.gz HMHQAQHHNIRCRC-GFCCVEGCSA-N 1 0 352.395 -0.054 20 5 FBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000264478547 243397278 /nfs/dbraw/zinc/39/72/78/243397278.db2.gz HMHQAQHHNIRCRC-LBPRGKRZSA-N 1 0 352.395 -0.054 20 5 FBBDRO C[NH+](C)CCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000264535517 483475635 /nfs/dbraw/zinc/47/56/35/483475635.db2.gz LVVLRGZSTKZOBM-UHFFFAOYSA-N 1 0 359.408 -0.278 20 5 FBBDRO COCC[N@H+](C)CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000264550460 483475726 /nfs/dbraw/zinc/47/57/26/483475726.db2.gz XOFWVYQJBSMYLN-UHFFFAOYSA-N 1 0 364.358 -0.115 20 5 FBBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000264601461 483480829 /nfs/dbraw/zinc/48/08/29/483480829.db2.gz NLVIGLDYKFGQRV-GFCCVEGCSA-N 1 0 371.419 -0.006 20 5 FBBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000264601462 483480641 /nfs/dbraw/zinc/48/06/41/483480641.db2.gz NLVIGLDYKFGQRV-LBPRGKRZSA-N 1 0 371.419 -0.006 20 5 FBBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000264659692 483501888 /nfs/dbraw/zinc/50/18/88/483501888.db2.gz VGLFSXBNNRDNHC-UHFFFAOYSA-N 1 0 351.407 -0.148 20 5 FBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000265358457 484187427 /nfs/dbraw/zinc/18/74/27/484187427.db2.gz XFLPLNYWHMFYBV-UHFFFAOYSA-N 1 0 363.418 -0.004 20 5 FBBDRO COCC[N@H+](C)CCNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000265412952 484214971 /nfs/dbraw/zinc/21/49/71/484214971.db2.gz FSUXOAWXGVXANC-UHFFFAOYSA-N 1 0 374.419 -0.141 20 5 FBBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000265509320 484241382 /nfs/dbraw/zinc/24/13/82/484241382.db2.gz DNXVICCKNNPNCW-CYBMUJFWSA-N 1 0 363.374 -0.011 20 5 FBBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000265509321 484239824 /nfs/dbraw/zinc/23/98/24/484239824.db2.gz DNXVICCKNNPNCW-ZDUSSCGKSA-N 1 0 363.374 -0.011 20 5 FBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266254298 483830301 /nfs/dbraw/zinc/83/03/01/483830301.db2.gz SQZNAAOYVHOVFE-CYBMUJFWSA-N 1 0 350.375 -0.063 20 5 FBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266254299 483830181 /nfs/dbraw/zinc/83/01/81/483830181.db2.gz SQZNAAOYVHOVFE-ZDUSSCGKSA-N 1 0 350.375 -0.063 20 5 FBBDRO CN1CCO[C@@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000266921480 484085211 /nfs/dbraw/zinc/08/52/11/484085211.db2.gz WJSANLPNMVLJBM-GFCCVEGCSA-N 1 0 372.403 -0.680 20 5 FBBDRO C[NH+]1CCC(O)(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000267068909 484094694 /nfs/dbraw/zinc/09/46/94/484094694.db2.gz ICOWXWPUSZPGID-UHFFFAOYSA-N 1 0 350.375 -0.103 20 5 FBBDRO C[NH+](C)C1CCN(CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000267281728 484099972 /nfs/dbraw/zinc/09/99/72/484099972.db2.gz SJWGAQCYMPCODQ-UHFFFAOYSA-N 1 0 351.407 -0.101 20 5 FBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267422608 484107290 /nfs/dbraw/zinc/10/72/90/484107290.db2.gz XEBGTGKVSXQPIU-CYBMUJFWSA-N 1 0 350.375 -0.063 20 5 FBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267422611 484107794 /nfs/dbraw/zinc/10/77/94/484107794.db2.gz XEBGTGKVSXQPIU-ZDUSSCGKSA-N 1 0 350.375 -0.063 20 5 FBBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H](O)CN1CCOCC1 ZINC000267587958 484138509 /nfs/dbraw/zinc/13/85/09/484138509.db2.gz IENVOHHWMYVWAL-CVEARBPZSA-N 1 0 369.418 -0.041 20 5 FBBDRO C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000267587960 484138560 /nfs/dbraw/zinc/13/85/60/484138560.db2.gz IENVOHHWMYVWAL-HOTGVXAUSA-N 1 0 369.418 -0.041 20 5 FBBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H](O)CN1CCOCC1 ZINC000267587962 484138918 /nfs/dbraw/zinc/13/89/18/484138918.db2.gz IENVOHHWMYVWAL-HZPDHXFCSA-N 1 0 369.418 -0.041 20 5 FBBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H](O)CN1CCOCC1 ZINC000267587964 484138888 /nfs/dbraw/zinc/13/88/88/484138888.db2.gz IENVOHHWMYVWAL-JKSUJKDBSA-N 1 0 369.418 -0.041 20 5 FBBDRO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000267615643 484147048 /nfs/dbraw/zinc/14/70/48/484147048.db2.gz PCORTSINPXVFEL-AWEZNQCLSA-N 1 0 352.391 -0.181 20 5 FBBDRO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000267615644 484146883 /nfs/dbraw/zinc/14/68/83/484146883.db2.gz PCORTSINPXVFEL-CQSZACIVSA-N 1 0 352.391 -0.181 20 5 FBBDRO O=C(CN(CCO)CCO)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000267853094 484447117 /nfs/dbraw/zinc/44/71/17/484447117.db2.gz FDENMBMWYLHGOW-UHFFFAOYSA-N 1 0 352.391 -0.470 20 5 FBBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000268833587 484557202 /nfs/dbraw/zinc/55/72/02/484557202.db2.gz MVCZEIUPPIHUAG-CYBMUJFWSA-N 1 0 362.390 -0.169 20 5 FBBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000268833588 484557542 /nfs/dbraw/zinc/55/75/42/484557542.db2.gz MVCZEIUPPIHUAG-ZDUSSCGKSA-N 1 0 362.390 -0.169 20 5 FBBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269039736 484561445 /nfs/dbraw/zinc/56/14/45/484561445.db2.gz LZXWYLFMHVXSFO-GFCCVEGCSA-N 1 0 353.383 -0.570 20 5 FBBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269039737 243677248 /nfs/dbraw/zinc/67/72/48/243677248.db2.gz LZXWYLFMHVXSFO-LBPRGKRZSA-N 1 0 353.383 -0.570 20 5 FBBDRO Cc1c(C(=O)NCCN2CC[NH2+]CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269123599 483905010 /nfs/dbraw/zinc/90/50/10/483905010.db2.gz ACQNHEAQJZHPKT-UHFFFAOYSA-N 1 0 371.419 -0.814 20 5 FBBDRO C[NH2+][C@H]1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000269139124 483904731 /nfs/dbraw/zinc/90/47/31/483904731.db2.gz UBOOADZIIUJUIN-JTQLQIEISA-N 1 0 371.419 -0.136 20 5 FBBDRO C[NH2+][C@@H]1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000269139127 483904639 /nfs/dbraw/zinc/90/46/39/483904639.db2.gz UBOOADZIIUJUIN-SNVBAGLBSA-N 1 0 371.419 -0.136 20 5 FBBDRO NS(=O)(=O)c1ccc(NCCC(=O)N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000269159235 483905838 /nfs/dbraw/zinc/90/58/38/483905838.db2.gz KDOMULSITRUIIS-VIFPVBQESA-N 1 0 357.392 -0.396 20 5 FBBDRO CC(C)(C[NH3+])NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269169686 243686779 /nfs/dbraw/zinc/68/67/79/243686779.db2.gz HKUXDNVZPOMUQK-UHFFFAOYSA-N 1 0 359.408 -0.102 20 5 FBBDRO CC(C)([NH3+])CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269186889 535200630 /nfs/dbraw/zinc/20/06/30/535200630.db2.gz BOGZUCZSKAXRJM-UHFFFAOYSA-N 1 0 359.408 -0.102 20 5 FBBDRO NS(=O)(=O)c1ccc(NCCC(=O)N[C@H](C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000269198078 483907052 /nfs/dbraw/zinc/90/70/52/483907052.db2.gz UPMPBJPXTCCRIK-GFCCVEGCSA-N 1 0 371.419 -0.102 20 5 FBBDRO NS(=O)(=O)c1ccc(NCCC(=O)N[C@@H](C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000269198080 243686956 /nfs/dbraw/zinc/68/69/56/243686956.db2.gz UPMPBJPXTCCRIK-LBPRGKRZSA-N 1 0 371.419 -0.102 20 5 FBBDRO C[C@]1(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000269210337 483908717 /nfs/dbraw/zinc/90/87/17/483908717.db2.gz GZQYQIQUBVCMRO-AWEZNQCLSA-N 1 0 356.404 -0.011 20 5 FBBDRO C[C@@]1(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000269210340 483908288 /nfs/dbraw/zinc/90/82/88/483908288.db2.gz GZQYQIQUBVCMRO-CQSZACIVSA-N 1 0 356.404 -0.011 20 5 FBBDRO O=C(C[C@@H]1C[NH2+]CCO1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000269221254 483908760 /nfs/dbraw/zinc/90/87/60/483908760.db2.gz NPIOJBKGKMAJHK-LLVKDONJSA-N 1 0 372.403 -0.632 20 5 FBBDRO O=C(C[C@H]1C[NH2+]CCO1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000269221255 483908414 /nfs/dbraw/zinc/90/84/14/483908414.db2.gz NPIOJBKGKMAJHK-NSHDSACASA-N 1 0 372.403 -0.632 20 5 FBBDRO C[C@]1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000269249909 483908222 /nfs/dbraw/zinc/90/82/22/483908222.db2.gz MGZFEUOSWYHCES-AWEZNQCLSA-N 1 0 356.404 -0.011 20 5 FBBDRO C[C@@]1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000269249911 483908305 /nfs/dbraw/zinc/90/83/05/483908305.db2.gz MGZFEUOSWYHCES-CQSZACIVSA-N 1 0 356.404 -0.011 20 5 FBBDRO O=C(C[C@@H]1C[NH2+]CCO1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269262657 483909818 /nfs/dbraw/zinc/90/98/18/483909818.db2.gz RZGMEICDJXPBJR-GFCCVEGCSA-N 1 0 372.403 -0.632 20 5 FBBDRO O=C(C[C@H]1C[NH2+]CCO1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269262659 483909515 /nfs/dbraw/zinc/90/95/15/483909515.db2.gz RZGMEICDJXPBJR-LBPRGKRZSA-N 1 0 372.403 -0.632 20 5 FBBDRO C[C@]1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000269263575 483909325 /nfs/dbraw/zinc/90/93/25/483909325.db2.gz SOHBYSCUPKCWDH-AWEZNQCLSA-N 1 0 356.404 -0.011 20 5 FBBDRO C[C@@]1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000269263577 483908602 /nfs/dbraw/zinc/90/86/02/483908602.db2.gz SOHBYSCUPKCWDH-CQSZACIVSA-N 1 0 356.404 -0.011 20 5 FBBDRO O=C(C[C@@H]1C[NH2+]CCO1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000269271328 483909852 /nfs/dbraw/zinc/90/98/52/483909852.db2.gz XDQFBJUDZLNXMM-GFCCVEGCSA-N 1 0 372.403 -0.632 20 5 FBBDRO O=C(C[C@H]1C[NH2+]CCO1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000269271331 483909951 /nfs/dbraw/zinc/90/99/51/483909951.db2.gz XDQFBJUDZLNXMM-LBPRGKRZSA-N 1 0 372.403 -0.632 20 5 FBBDRO C[NH+](C)CC(=O)N1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000269608012 484520003 /nfs/dbraw/zinc/52/00/03/484520003.db2.gz ANEBNHBUFQOTSW-UHFFFAOYSA-N 1 0 371.419 -0.548 20 5 FBBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000269796760 484622720 /nfs/dbraw/zinc/62/27/20/484622720.db2.gz MGCFNJQUJXUHMF-HNNXBMFYSA-N 1 0 354.363 -0.029 20 5 FBBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000269796762 484623274 /nfs/dbraw/zinc/62/32/74/484623274.db2.gz MGCFNJQUJXUHMF-OAHLLOKOSA-N 1 0 354.363 -0.029 20 5 FBBDRO Cc1c(C(=O)NC[C@](C)(O)C[NH+](C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269871057 243742762 /nfs/dbraw/zinc/74/27/62/243742762.db2.gz FXEFBUOMWFOXFO-AWEZNQCLSA-N 1 0 374.419 -0.407 20 5 FBBDRO Cc1c(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269871058 484686727 /nfs/dbraw/zinc/68/67/27/484686727.db2.gz FXEFBUOMWFOXFO-CQSZACIVSA-N 1 0 374.419 -0.407 20 5 FBBDRO COc1ccc(C(=O)NCC(=O)NC[C@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000269874211 484686613 /nfs/dbraw/zinc/68/66/13/484686613.db2.gz IOMLQXWTPBQVTP-INIZCTEOSA-N 1 0 368.390 -0.238 20 5 FBBDRO COc1ccc(C(=O)NCC(=O)NC[C@@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000269874212 484687149 /nfs/dbraw/zinc/68/71/49/484687149.db2.gz IOMLQXWTPBQVTP-MRXNPFEDSA-N 1 0 368.390 -0.238 20 5 FBBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000269874560 484686650 /nfs/dbraw/zinc/68/66/50/484686650.db2.gz GRTOHGNFQAPSLO-INIZCTEOSA-N 1 0 364.358 -0.380 20 5 FBBDRO C[NH+](C)C[C@](C)(O)CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000269874561 484687165 /nfs/dbraw/zinc/68/71/65/484687165.db2.gz GRTOHGNFQAPSLO-MRXNPFEDSA-N 1 0 364.358 -0.380 20 5 FBBDRO Cc1nn(CCC(=O)NCCCN2CCNC(=O)C2)c(C)c1[N+](=O)[O-] ZINC000269906883 484927394 /nfs/dbraw/zinc/92/73/94/484927394.db2.gz IKLVCEOBPHZVEX-UHFFFAOYSA-N 1 0 352.395 -0.264 20 5 FBBDRO C[NH+](C)CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000270617679 483918286 /nfs/dbraw/zinc/91/82/86/483918286.db2.gz CNWUUKJFHAONTM-UHFFFAOYSA-N 1 0 359.408 -0.266 20 5 FBBDRO C[NH+](C)CCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000270636590 535884225 /nfs/dbraw/zinc/88/42/25/535884225.db2.gz ICRHSNKTQZFJKE-UHFFFAOYSA-N 1 0 359.408 -0.266 20 5 FBBDRO C[NH+](C)CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000270649783 483928887 /nfs/dbraw/zinc/92/88/87/483928887.db2.gz LJOGGHPKBLLPMS-UHFFFAOYSA-N 1 0 359.408 -0.266 20 5 FBBDRO CN(CC(=O)N1CC([NH+](C)C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000270738634 483958561 /nfs/dbraw/zinc/95/85/61/483958561.db2.gz HHPDDCPZVRANSU-UHFFFAOYSA-N 1 0 356.404 -0.012 20 5 FBBDRO C[NH+](C)C1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000270997847 483975536 /nfs/dbraw/zinc/97/55/36/483975536.db2.gz XRDBGWKZIKLPRA-UHFFFAOYSA-N 1 0 371.419 -0.183 20 5 FBBDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000271372406 535490170 /nfs/dbraw/zinc/49/01/70/535490170.db2.gz ICVKVDODRVGCHO-UHFFFAOYSA-N 1 0 352.395 -0.046 20 5 FBBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000271470155 484072788 /nfs/dbraw/zinc/07/27/88/484072788.db2.gz YQBIGCBUIQMJCY-LLVKDONJSA-N 1 0 350.379 -0.293 20 5 FBBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000271470156 484074362 /nfs/dbraw/zinc/07/43/62/484074362.db2.gz YQBIGCBUIQMJCY-NSHDSACASA-N 1 0 350.379 -0.293 20 5 FBBDRO CNC(=O)CCNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000271660542 484115598 /nfs/dbraw/zinc/11/55/98/484115598.db2.gz UVZWXYXGAPBZRW-UHFFFAOYSA-N 1 0 373.435 -0.017 20 5 FBBDRO C[C@@H](CS(C)(=O)=O)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000271733390 484132452 /nfs/dbraw/zinc/13/24/52/484132452.db2.gz SWOBKAIHHBBKAL-JTQLQIEISA-N 1 0 365.433 -0.104 20 5 FBBDRO C[C@H](CS(C)(=O)=O)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000271733395 484132116 /nfs/dbraw/zinc/13/21/16/484132116.db2.gz SWOBKAIHHBBKAL-SNVBAGLBSA-N 1 0 365.433 -0.104 20 5 FBBDRO C[C@@H](CS(C)(=O)=O)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000271742973 484135448 /nfs/dbraw/zinc/13/54/48/484135448.db2.gz VZGUIDZWBZINCO-JTQLQIEISA-N 1 0 365.433 -0.104 20 5 FBBDRO C[C@H](CS(C)(=O)=O)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000271742978 484134568 /nfs/dbraw/zinc/13/45/68/484134568.db2.gz VZGUIDZWBZINCO-SNVBAGLBSA-N 1 0 365.433 -0.104 20 5 FBBDRO COC(=O)CCN1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000271781793 484141630 /nfs/dbraw/zinc/14/16/30/484141630.db2.gz SGYWNCLRJDTJQG-GXTWGEPZSA-N 1 0 355.395 -0.279 20 5 FBBDRO COC(=O)CCN1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000271781796 484142078 /nfs/dbraw/zinc/14/20/78/484142078.db2.gz SGYWNCLRJDTJQG-JSGCOSHPSA-N 1 0 355.395 -0.279 20 5 FBBDRO COC(=O)CCN1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000271781798 484143450 /nfs/dbraw/zinc/14/34/50/484143450.db2.gz SGYWNCLRJDTJQG-OCCSQVGLSA-N 1 0 355.395 -0.279 20 5 FBBDRO COC(=O)CCN1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000271781801 484142519 /nfs/dbraw/zinc/14/25/19/484142519.db2.gz SGYWNCLRJDTJQG-TZMCWYRMSA-N 1 0 355.395 -0.279 20 5 FBBDRO COC(=O)CC[N@@H+](CC(OC)OC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000272750902 484471551 /nfs/dbraw/zinc/47/15/51/484471551.db2.gz LSSVRWGKCSKXOC-GFCCVEGCSA-N 1 0 360.367 -0.364 20 5 FBBDRO COC(=O)CC[N@@H+](CC(OC)OC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000272750903 660179033 /nfs/dbraw/zinc/17/90/33/660179033.db2.gz LSSVRWGKCSKXOC-LBPRGKRZSA-N 1 0 360.367 -0.364 20 5 FBBDRO COc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000272934609 484339863 /nfs/dbraw/zinc/33/98/63/484339863.db2.gz OHYGQAOQNKJPOI-HNNXBMFYSA-N 1 0 354.363 -0.029 20 5 FBBDRO COc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000272934610 484365053 /nfs/dbraw/zinc/36/50/53/484365053.db2.gz OHYGQAOQNKJPOI-OAHLLOKOSA-N 1 0 354.363 -0.029 20 5 FBBDRO NS(=O)(=O)c1ccc(NCCC(=O)NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000272953946 243886122 /nfs/dbraw/zinc/88/61/22/243886122.db2.gz MOLWIMSGELLEMZ-UHFFFAOYSA-N 1 0 359.408 -0.101 20 5 FBBDRO CN(CC(=O)NC[C@@H]1CC[NH2+]C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000272973561 484481432 /nfs/dbraw/zinc/48/14/32/484481432.db2.gz BXJFJSLPHQAXJV-LLVKDONJSA-N 1 0 356.404 -0.059 20 5 FBBDRO CN(CC(=O)NC[C@H]1CC[NH2+]C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000272973564 484480388 /nfs/dbraw/zinc/48/03/88/484480388.db2.gz BXJFJSLPHQAXJV-NSHDSACASA-N 1 0 356.404 -0.059 20 5 FBBDRO Cc1cc(C(=O)NCC(=O)NC[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000273029447 484485905 /nfs/dbraw/zinc/48/59/05/484485905.db2.gz FBMGBQLJUSEEFH-AWEZNQCLSA-N 1 0 363.418 -0.005 20 5 FBBDRO Cc1cc(C(=O)NCC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000273029450 484485850 /nfs/dbraw/zinc/48/58/50/484485850.db2.gz FBMGBQLJUSEEFH-CQSZACIVSA-N 1 0 363.418 -0.005 20 5 FBBDRO COC(=O)C1=NOC2(C1)CC[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000273202742 484488472 /nfs/dbraw/zinc/48/84/72/484488472.db2.gz SGDRWFZRLYCMKI-GFCCVEGCSA-N 1 0 367.362 -0.064 20 5 FBBDRO COC(=O)C1=NOC2(C1)CC[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000273202744 484488876 /nfs/dbraw/zinc/48/88/76/484488876.db2.gz SGDRWFZRLYCMKI-LBPRGKRZSA-N 1 0 367.362 -0.064 20 5 FBBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000273346589 484503892 /nfs/dbraw/zinc/50/38/92/484503892.db2.gz OPZAQBZDGCQUTN-CABCVRRESA-N 1 0 369.418 -0.041 20 5 FBBDRO C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273346599 484504324 /nfs/dbraw/zinc/50/43/24/484504324.db2.gz OPZAQBZDGCQUTN-GJZGRUSLSA-N 1 0 369.418 -0.041 20 5 FBBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273447267 660420030 /nfs/dbraw/zinc/42/00/30/660420030.db2.gz FAWZMJGSLUCQQO-LLVKDONJSA-N 1 0 371.419 -0.006 20 5 FBBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273447271 660419654 /nfs/dbraw/zinc/41/96/54/660419654.db2.gz FAWZMJGSLUCQQO-NSHDSACASA-N 1 0 371.419 -0.006 20 5 FBBDRO C[NH+](C)CC(=O)N1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000273468993 484521570 /nfs/dbraw/zinc/52/15/70/484521570.db2.gz JWPJCZPCSDYPGF-UHFFFAOYSA-N 1 0 371.419 -0.548 20 5 FBBDRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000274396381 484822256 /nfs/dbraw/zinc/82/22/56/484822256.db2.gz DDLFMKVUDUEUNG-UHFFFAOYSA-N 1 0 354.363 -0.028 20 5 FBBDRO CC[N@H+](CCO)CCNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000274483959 483647945 /nfs/dbraw/zinc/64/79/45/483647945.db2.gz ASMRNOZPGDWUQU-UHFFFAOYSA-N 1 0 374.419 -0.405 20 5 FBBDRO CC[N@H+](CCO)CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000274569967 483833255 /nfs/dbraw/zinc/83/32/55/483833255.db2.gz QSQLWIHGAXDOFZ-UHFFFAOYSA-N 1 0 364.358 -0.379 20 5 FBBDRO NC(=O)c1ccc(SCC(=O)N2CCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000274710106 483811080 /nfs/dbraw/zinc/81/10/80/483811080.db2.gz CIALTPDEULTIJZ-JTQLQIEISA-N 1 0 354.388 -0.028 20 5 FBBDRO NC(=O)c1ccc(SCC(=O)N2CCO[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000274710109 484825553 /nfs/dbraw/zinc/82/55/53/484825553.db2.gz CIALTPDEULTIJZ-SNVBAGLBSA-N 1 0 354.388 -0.028 20 5 FBBDRO CN(CC(=O)N1CCO[C@H](C[NH3+])C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000274802208 243952523 /nfs/dbraw/zinc/95/25/23/243952523.db2.gz PEIQBMLBBIYWKP-GFCCVEGCSA-N 1 0 372.403 -0.599 20 5 FBBDRO CN(CC(=O)N1CCO[C@@H](C[NH3+])C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000274802213 536167719 /nfs/dbraw/zinc/16/77/19/536167719.db2.gz PEIQBMLBBIYWKP-LBPRGKRZSA-N 1 0 372.403 -0.599 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000275553739 484832056 /nfs/dbraw/zinc/83/20/56/484832056.db2.gz CYBUZLQWBSXEPA-JOYOIKCWSA-N 1 0 360.367 -0.311 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1C[C@H](F)C[NH2+]1 ZINC000275757861 244012619 /nfs/dbraw/zinc/01/26/19/244012619.db2.gz LVOHAUUDSWRDJA-VHSXEESVSA-N 1 0 360.367 -0.311 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000275797167 244016627 /nfs/dbraw/zinc/01/66/27/244016627.db2.gz WGPWCHCDTZCYAU-JOYOIKCWSA-N 1 0 360.367 -0.311 20 5 FBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NC[C@H](O)CO)c([N+](=O)[O-])c1 ZINC000275847486 244018829 /nfs/dbraw/zinc/01/88/29/244018829.db2.gz RDHBBXGONVUDDA-JTQLQIEISA-N 1 0 362.408 -0.800 20 5 FBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NC[C@@H](O)CO)c([N+](=O)[O-])c1 ZINC000275847487 244018215 /nfs/dbraw/zinc/01/82/15/244018215.db2.gz RDHBBXGONVUDDA-SNVBAGLBSA-N 1 0 362.408 -0.800 20 5 FBBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@](O)(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000276475841 536762179 /nfs/dbraw/zinc/76/21/79/536762179.db2.gz RFYWSYJLZRLXFP-HNNXBMFYSA-N 1 0 352.347 -0.146 20 5 FBBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@](O)(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000276475844 536762051 /nfs/dbraw/zinc/76/20/51/536762051.db2.gz RFYWSYJLZRLXFP-OAHLLOKOSA-N 1 0 352.347 -0.146 20 5 FBBDRO COC(=O)c1cnc(N2CCN(C(=O)C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000276504314 244074047 /nfs/dbraw/zinc/07/40/47/244074047.db2.gz CSZIUYMZUNCQGF-UHFFFAOYSA-N 1 0 351.363 -0.013 20 5 FBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CC(CO)C2)c([N+](=O)[O-])c1 ZINC000277005479 244097878 /nfs/dbraw/zinc/09/78/78/244097878.db2.gz KONHVYZAGUUMAT-UHFFFAOYSA-N 1 0 358.420 -0.137 20 5 FBBDRO CN(CC(N)=O)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000277310799 244106210 /nfs/dbraw/zinc/10/62/10/244106210.db2.gz WLPBSVYKAQQGRJ-UHFFFAOYSA-N 1 0 373.435 -0.254 20 5 FBBDRO Cc1c(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000279924776 244175706 /nfs/dbraw/zinc/17/57/06/244175706.db2.gz FMIDYLYJIBWTRL-AOOOYVTPSA-N 1 0 354.388 -0.158 20 5 FBBDRO Cc1cc(C(=O)NCC(=O)NCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000280387722 244190529 /nfs/dbraw/zinc/19/05/29/244190529.db2.gz AGYLDMNZORXSEE-UHFFFAOYSA-N 1 0 363.418 -0.003 20 5 FBBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000280995972 244207045 /nfs/dbraw/zinc/20/70/45/244207045.db2.gz CVGMXIYHIVNNGN-UHFFFAOYSA-N 1 0 368.394 -0.960 20 5 FBBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000281190139 244212256 /nfs/dbraw/zinc/21/22/56/244212256.db2.gz ZQIRJIGZQRRWMR-UHFFFAOYSA-N 1 0 368.394 -0.960 20 5 FBBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000281718992 244229845 /nfs/dbraw/zinc/22/98/45/244229845.db2.gz NHPAOTALVQMDBD-UHFFFAOYSA-N 1 0 353.379 -0.215 20 5 FBBDRO C[N@@H+]1CCN(CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1(C)C ZINC000281881765 244236472 /nfs/dbraw/zinc/23/64/72/244236472.db2.gz XJLBFRSAYCYLGS-UHFFFAOYSA-N 1 0 351.407 -0.101 20 5 FBBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000284930180 661629317 /nfs/dbraw/zinc/62/93/17/661629317.db2.gz IEWBGUAUDWCELW-HNNXBMFYSA-N 1 0 352.347 -0.146 20 5 FBBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000284930184 484876922 /nfs/dbraw/zinc/87/69/22/484876922.db2.gz IEWBGUAUDWCELW-OAHLLOKOSA-N 1 0 352.347 -0.146 20 5 FBBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000285121632 661629072 /nfs/dbraw/zinc/62/90/72/661629072.db2.gz RXEMJGDLHKUGLR-HNNXBMFYSA-N 1 0 352.347 -0.146 20 5 FBBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000285121635 661629095 /nfs/dbraw/zinc/62/90/95/661629095.db2.gz RXEMJGDLHKUGLR-OAHLLOKOSA-N 1 0 352.347 -0.146 20 5 FBBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285993392 483430523 /nfs/dbraw/zinc/43/05/23/483430523.db2.gz PURAXKPGXQYBNW-UHFFFAOYSA-N 1 0 354.367 -0.820 20 5 FBBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(C(=O)C[NH+](C)C)CC2)n1 ZINC000286248585 483433732 /nfs/dbraw/zinc/43/37/32/483433732.db2.gz VDTDJMFPVGSLQV-UHFFFAOYSA-N 1 0 351.363 -0.013 20 5 FBBDRO CN(CCC(N)=O)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000286707282 483735981 /nfs/dbraw/zinc/73/59/81/483735981.db2.gz ZZUBKSSANNRWST-UHFFFAOYSA-N 1 0 373.435 -0.254 20 5 FBBDRO CO[C@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000289448909 483872284 /nfs/dbraw/zinc/87/22/84/483872284.db2.gz BLBVSQINWFDHFK-GFCCVEGCSA-N 1 0 372.403 -0.599 20 5 FBBDRO 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245293564 /nfs/dbraw/zinc/29/35/64/245293564.db2.gz YLASXQQWUPMGIR-CHWSQXEVSA-N 1 0 361.424 -0.446 20 5 FBBDRO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000366621823 245294758 /nfs/dbraw/zinc/29/47/58/245294758.db2.gz YLASXQQWUPMGIR-OLZOCXBDSA-N 1 0 361.424 -0.446 20 5 FBBDRO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000366621824 245293262 /nfs/dbraw/zinc/29/32/62/245293262.db2.gz YLASXQQWUPMGIR-QWHCGFSZSA-N 1 0 361.424 -0.446 20 5 FBBDRO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000366621825 245294192 /nfs/dbraw/zinc/29/41/92/245294192.db2.gz YLASXQQWUPMGIR-STQMWFEESA-N 1 0 361.424 -0.446 20 5 FBBDRO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CCO[C@H]3C[NH2+]C[C@H]31)OCCO2 ZINC000367166875 245321828 /nfs/dbraw/zinc/32/18/28/245321828.db2.gz WUPQCDWDPNMYRB-MFKMUULPSA-N 1 0 371.371 -0.273 20 5 FBBDRO NS(=O)(=O)c1ccc(NCCC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])c1 ZINC000368360505 245374575 /nfs/dbraw/zinc/37/45/75/245374575.db2.gz HRCFOFZZFXGAGT-MSRIBSCDSA-N 1 0 369.403 -0.622 20 5 FBBDRO CN(CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000368384318 245375401 /nfs/dbraw/zinc/37/54/01/245375401.db2.gz ISUCEPFEQBFRMB-IMRBUKKESA-N 1 0 354.388 -0.451 20 5 FBBDRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000369341503 484737898 /nfs/dbraw/zinc/73/78/98/484737898.db2.gz FESWFOZZUGZMQY-GFCCVEGCSA-N 1 0 365.390 -0.168 20 5 FBBDRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000369341504 484737794 /nfs/dbraw/zinc/73/77/94/484737794.db2.gz FESWFOZZUGZMQY-LBPRGKRZSA-N 1 0 365.390 -0.168 20 5 FBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369347767 484738624 /nfs/dbraw/zinc/73/86/24/484738624.db2.gz QQMHCSLXQQOCBI-GFCCVEGCSA-N 1 0 364.406 -0.093 20 5 FBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369347768 484738027 /nfs/dbraw/zinc/73/80/27/484738027.db2.gz QQMHCSLXQQOCBI-LBPRGKRZSA-N 1 0 364.406 -0.093 20 5 FBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369356696 484738826 /nfs/dbraw/zinc/73/88/26/484738826.db2.gz YKJJMXJMROSWKR-CYBMUJFWSA-N 1 0 352.395 -0.686 20 5 FBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000369356697 484738767 /nfs/dbraw/zinc/73/87/67/484738767.db2.gz YKJJMXJMROSWKR-ZDUSSCGKSA-N 1 0 352.395 -0.686 20 5 FBBDRO O=C([C@@H]1CCCO1)N1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000369825545 484743736 /nfs/dbraw/zinc/74/37/36/484743736.db2.gz IXCBCOWOOFMUEF-CABCVRRESA-N 1 0 367.406 -0.135 20 5 FBBDRO O=C([C@@H]1CCCO1)N1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000369825546 484743142 /nfs/dbraw/zinc/74/31/42/484743142.db2.gz IXCBCOWOOFMUEF-GJZGRUSLSA-N 1 0 367.406 -0.135 20 5 FBBDRO O=C([C@H]1CCCO1)N1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000369825547 484743514 /nfs/dbraw/zinc/74/35/14/484743514.db2.gz IXCBCOWOOFMUEF-HUUCEWRRSA-N 1 0 367.406 -0.135 20 5 FBBDRO O=C([C@H]1CCCO1)N1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000369825548 484743718 /nfs/dbraw/zinc/74/37/18/484743718.db2.gz IXCBCOWOOFMUEF-LSDHHAIUSA-N 1 0 367.406 -0.135 20 5 FBBDRO O=C([C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000369825573 484742787 /nfs/dbraw/zinc/74/27/87/484742787.db2.gz JCSNYQMKHLVMKA-DZGCQCFKSA-N 1 0 367.406 -0.277 20 5 FBBDRO O=C([C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000369825574 484743560 /nfs/dbraw/zinc/74/35/60/484743560.db2.gz JCSNYQMKHLVMKA-HIFRSBDPSA-N 1 0 367.406 -0.277 20 5 FBBDRO O=C([C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000369825575 484744266 /nfs/dbraw/zinc/74/42/66/484744266.db2.gz JCSNYQMKHLVMKA-UKRRQHHQSA-N 1 0 367.406 -0.277 20 5 FBBDRO O=C([C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000369825576 484744287 /nfs/dbraw/zinc/74/42/87/484744287.db2.gz JCSNYQMKHLVMKA-ZFWWWQNUSA-N 1 0 367.406 -0.277 20 5 FBBDRO O=C1CO[C@@H]2CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]2N1 ZINC000370668854 484752336 /nfs/dbraw/zinc/75/23/36/484752336.db2.gz ZZTVQRWERKNFEK-AEGPPILISA-N 1 0 351.359 -0.076 20 5 FBBDRO O=C1CO[C@@H]2CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]2N1 ZINC000370668855 484753113 /nfs/dbraw/zinc/75/31/13/484753113.db2.gz ZZTVQRWERKNFEK-BPLDGKMQSA-N 1 0 351.359 -0.076 20 5 FBBDRO O=C1CO[C@@H]2CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]2N1 ZINC000370668856 484752807 /nfs/dbraw/zinc/75/28/07/484752807.db2.gz ZZTVQRWERKNFEK-NWANDNLSSA-N 1 0 351.359 -0.076 20 5 FBBDRO O=C1CO[C@@H]2CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]2N1 ZINC000370668857 484752658 /nfs/dbraw/zinc/75/26/58/484752658.db2.gz ZZTVQRWERKNFEK-VHDGCEQUSA-N 1 0 351.359 -0.076 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@]1(F)CC[NH2+]C1 ZINC000370802590 483840703 /nfs/dbraw/zinc/84/07/03/483840703.db2.gz GXTNJGOBFQFTND-CYBMUJFWSA-N 1 0 360.367 -0.309 20 5 FBBDRO 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ZINC000371027666 484755320 /nfs/dbraw/zinc/75/53/20/484755320.db2.gz JTFDUBOBAKXJEQ-AWEZNQCLSA-N 1 0 366.422 -0.378 20 5 FBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000371027667 484756503 /nfs/dbraw/zinc/75/65/03/484756503.db2.gz JTFDUBOBAKXJEQ-CQSZACIVSA-N 1 0 366.422 -0.378 20 5 FBBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000372226512 484770263 /nfs/dbraw/zinc/77/02/63/484770263.db2.gz HEOHXGXGGRVGEP-SECBINFHSA-N 1 0 359.360 -0.286 20 5 FBBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000372226513 484770018 /nfs/dbraw/zinc/77/00/18/484770018.db2.gz HEOHXGXGGRVGEP-VIFPVBQESA-N 1 0 359.360 -0.286 20 5 FBBDRO CCOC(=O)C1(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[NH+](C)CC1 ZINC000372370067 484771897 /nfs/dbraw/zinc/77/18/97/484771897.db2.gz PDJBSOMLGBECRS-UHFFFAOYSA-N 1 0 366.374 -0.100 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1C[C@]12CC[NH2+]C2 ZINC000372426417 484771433 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FBBDRO [NH3+]CCCCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417276780 484672838 /nfs/dbraw/zinc/67/28/38/484672838.db2.gz FGSXJNCGVZWEMV-UHFFFAOYSA-N 1 0 359.408 -0.089 20 5 FBBDRO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000417278205 484672975 /nfs/dbraw/zinc/67/29/75/484672975.db2.gz GSVQSZVNJMBYRD-LLVKDONJSA-N 1 0 371.419 -0.124 20 5 FBBDRO C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000417278221 484672945 /nfs/dbraw/zinc/67/29/45/484672945.db2.gz GSVQSZVNJMBYRD-NSHDSACASA-N 1 0 371.419 -0.124 20 5 FBBDRO [NH3+][C@H](CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000417278284 484673049 /nfs/dbraw/zinc/67/30/49/484673049.db2.gz HBBFBENQPRATAE-CYBMUJFWSA-N 1 0 371.419 -0.090 20 5 FBBDRO [NH3+][C@@H](CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000417278285 484672660 /nfs/dbraw/zinc/67/26/60/484672660.db2.gz HBBFBENQPRATAE-ZDUSSCGKSA-N 1 0 371.419 -0.090 20 5 FBBDRO C[NH2+]CCN(C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 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LISHYWJLUTXSGB-SNVBAGLBSA-N 1 0 359.408 -0.233 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]C1 ZINC000417280760 484673329 /nfs/dbraw/zinc/67/33/29/484673329.db2.gz LTFUXEDDDHHUGS-LLVKDONJSA-N 1 0 371.419 -0.076 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[NH2+]C1 ZINC000417280761 484673268 /nfs/dbraw/zinc/67/32/68/484673268.db2.gz LTFUXEDDDHHUGS-NSHDSACASA-N 1 0 371.419 -0.076 20 5 FBBDRO CC[C@H]([NH3+])CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417281168 484672572 /nfs/dbraw/zinc/67/25/72/484672572.db2.gz MKUVLOYQDLVWRL-JTQLQIEISA-N 1 0 359.408 -0.090 20 5 FBBDRO CC[C@@H]([NH3+])CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417281169 484673422 /nfs/dbraw/zinc/67/34/22/484673422.db2.gz MKUVLOYQDLVWRL-SNVBAGLBSA-N 1 0 359.408 -0.090 20 5 FBBDRO [NH3+]C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000417281179 484673053 /nfs/dbraw/zinc/67/30/53/484673053.db2.gz MMWBHKVWUWOVPI-CYBMUJFWSA-N 1 0 371.419 -0.090 20 5 FBBDRO [NH3+]C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000417281180 484673242 /nfs/dbraw/zinc/67/32/42/484673242.db2.gz MMWBHKVWUWOVPI-ZDUSSCGKSA-N 1 0 371.419 -0.090 20 5 FBBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417281191 484673260 /nfs/dbraw/zinc/67/32/60/484673260.db2.gz MQSBHIIOANYVGM-NXEZZACHSA-N 1 0 359.408 -0.092 20 5 FBBDRO C[C@H]([NH3+])[C@H](C)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417281192 484673307 /nfs/dbraw/zinc/67/33/07/484673307.db2.gz MQSBHIIOANYVGM-UWVGGRQHSA-N 1 0 359.408 -0.092 20 5 FBBDRO C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000417281193 484672737 /nfs/dbraw/zinc/67/27/37/484672737.db2.gz MQSBHIIOANYVGM-VHSXEESVSA-N 1 0 359.408 -0.092 20 5 FBBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417281194 484673018 /nfs/dbraw/zinc/67/30/18/484673018.db2.gz MQSBHIIOANYVGM-ZJUUUORDSA-N 1 0 359.408 -0.092 20 5 FBBDRO CC[NH2+]CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417282548 484672648 /nfs/dbraw/zinc/67/26/48/484672648.db2.gz PXERIOOOFOOSMZ-UHFFFAOYSA-N 1 0 359.408 -0.218 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417282676 484673061 /nfs/dbraw/zinc/67/30/61/484673061.db2.gz QGNGQWOYXOZHQM-ITGUQSILSA-N 1 0 369.403 -0.610 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]1 ZINC000417283019 484672731 /nfs/dbraw/zinc/67/27/31/484672731.db2.gz QSUAQIOMWXQELF-LLVKDONJSA-N 1 0 371.419 -0.076 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[NH2+]1 ZINC000417283020 484673378 /nfs/dbraw/zinc/67/33/78/484673378.db2.gz QSUAQIOMWXQELF-NSHDSACASA-N 1 0 371.419 -0.076 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC1CC[NH2+]CC1 ZINC000417284335 484673188 /nfs/dbraw/zinc/67/31/88/484673188.db2.gz SDDLIBLCHMJTDL-UHFFFAOYSA-N 1 0 371.419 -0.076 20 5 FBBDRO C[NH2+][C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417284859 484673039 /nfs/dbraw/zinc/67/30/39/484673039.db2.gz TUUDCYKWNZCCEA-LLVKDONJSA-N 1 0 371.419 -0.124 20 5 FBBDRO C[NH2+][C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417284860 484673388 /nfs/dbraw/zinc/67/33/88/484673388.db2.gz TUUDCYKWNZCCEA-NSHDSACASA-N 1 0 371.419 -0.124 20 5 FBBDRO C[C@@H](CC[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417286153 484673093 /nfs/dbraw/zinc/67/30/93/484673093.db2.gz VCRJFEVCDANOGB-JTQLQIEISA-N 1 0 359.408 -0.090 20 5 FBBDRO C[C@H](CC[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417286154 484672724 /nfs/dbraw/zinc/67/27/24/484672724.db2.gz VCRJFEVCDANOGB-SNVBAGLBSA-N 1 0 359.408 -0.090 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C1 ZINC000417287935 484673360 /nfs/dbraw/zinc/67/33/60/484673360.db2.gz XPFHDRPPVAOWKG-JTQLQIEISA-N 1 0 357.392 -0.466 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C1 ZINC000417287936 484673222 /nfs/dbraw/zinc/67/32/22/484673222.db2.gz XPFHDRPPVAOWKG-SNVBAGLBSA-N 1 0 357.392 -0.466 20 5 FBBDRO [NH3+][C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417289021 484672610 /nfs/dbraw/zinc/67/26/10/484672610.db2.gz ZGJTXCHHFMUOIR-JTQLQIEISA-N 1 0 357.392 -0.384 20 5 FBBDRO [NH3+][C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000417289022 484673369 /nfs/dbraw/zinc/67/33/69/484673369.db2.gz ZGJTXCHHFMUOIR-SNVBAGLBSA-N 1 0 357.392 -0.384 20 5 FBBDRO C[NH2+]CCCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417289029 484672873 /nfs/dbraw/zinc/67/28/73/484672873.db2.gz ZHVGODDKEUXUFZ-UHFFFAOYSA-N 1 0 359.408 -0.218 20 5 FBBDRO CC(C)(C[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417289298 484673316 /nfs/dbraw/zinc/67/33/16/484673316.db2.gz ZRGBGPZMJQDZIS-UHFFFAOYSA-N 1 0 359.408 -0.090 20 5 FBBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417301177 484672916 /nfs/dbraw/zinc/67/29/16/484672916.db2.gz ADNYJJVILAXDQJ-NXEZZACHSA-N 1 0 359.408 -0.092 20 5 FBBDRO C[C@H]([NH3+])[C@H](C)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417301179 484673251 /nfs/dbraw/zinc/67/32/51/484673251.db2.gz ADNYJJVILAXDQJ-UWVGGRQHSA-N 1 0 359.408 -0.092 20 5 FBBDRO C[C@@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000417301182 484672962 /nfs/dbraw/zinc/67/29/62/484672962.db2.gz ADNYJJVILAXDQJ-VHSXEESVSA-N 1 0 359.408 -0.092 20 5 FBBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417301184 484672551 /nfs/dbraw/zinc/67/25/51/484672551.db2.gz ADNYJJVILAXDQJ-ZJUUUORDSA-N 1 0 359.408 -0.092 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC1CC[NH2+]CC1 ZINC000417306821 484672766 /nfs/dbraw/zinc/67/27/66/484672766.db2.gz ATMINBKLFJKGEH-UHFFFAOYSA-N 1 0 371.419 -0.076 20 5 FBBDRO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000417309413 484672518 /nfs/dbraw/zinc/67/25/18/484672518.db2.gz GHDHLUNEFQGTLX-LLVKDONJSA-N 1 0 371.419 -0.124 20 5 FBBDRO C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000417309414 484672862 /nfs/dbraw/zinc/67/28/62/484672862.db2.gz GHDHLUNEFQGTLX-NSHDSACASA-N 1 0 371.419 -0.124 20 5 FBBDRO C[NH2+]CCN(C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417309498 484673107 /nfs/dbraw/zinc/67/31/07/484673107.db2.gz DXQIBKRCINEJGL-UHFFFAOYSA-N 1 0 359.408 -0.266 20 5 FBBDRO C[C@@H](C[NH3+])CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417309694 484674010 /nfs/dbraw/zinc/67/40/10/484674010.db2.gz FGMFIEAKEQSJJJ-JTQLQIEISA-N 1 0 359.408 -0.233 20 5 FBBDRO C[C@H](C[NH3+])CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417309696 484674456 /nfs/dbraw/zinc/67/44/56/484674456.db2.gz FGMFIEAKEQSJJJ-SNVBAGLBSA-N 1 0 359.408 -0.233 20 5 FBBDRO CC(C)(C[NH3+])NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417309722 484674331 /nfs/dbraw/zinc/67/43/31/484674331.db2.gz FKTNSYDIVNGJRM-UHFFFAOYSA-N 1 0 359.408 -0.090 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000417319588 484674073 /nfs/dbraw/zinc/67/40/73/484674073.db2.gz HYRXUCIJHUZNIH-UHFFFAOYSA-N 1 0 371.419 -0.122 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417319595 484674738 /nfs/dbraw/zinc/67/47/38/484674738.db2.gz HYZPSZHBVJSZNE-ITGUQSILSA-N 1 0 369.403 -0.610 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]C1 ZINC000417320595 484674465 /nfs/dbraw/zinc/67/44/65/484674465.db2.gz KBKZVSOQHBIIHO-LLVKDONJSA-N 1 0 371.419 -0.076 20 5 FBBDRO C[C@@H](C[NH3+])N(C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417322299 483892833 /nfs/dbraw/zinc/89/28/33/483892833.db2.gz MPZQKJUFJGZYNF-JTQLQIEISA-N 1 0 359.408 -0.138 20 5 FBBDRO C[C@H](C[NH3+])N(C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417322300 484674056 /nfs/dbraw/zinc/67/40/56/484674056.db2.gz MPZQKJUFJGZYNF-SNVBAGLBSA-N 1 0 359.408 -0.138 20 5 FBBDRO CC[C@H]([NH3+])CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417322772 484674720 /nfs/dbraw/zinc/67/47/20/484674720.db2.gz NDSJJQXEUVSGOI-JTQLQIEISA-N 1 0 359.408 -0.090 20 5 FBBDRO CC[C@@H]([NH3+])CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417322779 484674651 /nfs/dbraw/zinc/67/46/51/484674651.db2.gz NDSJJQXEUVSGOI-SNVBAGLBSA-N 1 0 359.408 -0.090 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000417336301 484674621 /nfs/dbraw/zinc/67/46/21/484674621.db2.gz HKHRSJWTHGMEGC-UHFFFAOYSA-N 1 0 357.392 -0.512 20 5 FBBDRO CC[NH2+]CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417337460 484674591 /nfs/dbraw/zinc/67/45/91/484674591.db2.gz IVEDKSRNIKWNNI-UHFFFAOYSA-N 1 0 359.408 -0.218 20 5 FBBDRO [NH3+]C[C@@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000417337949 484674357 /nfs/dbraw/zinc/67/43/57/484674357.db2.gz JNQNCWJSYJRKLY-CYBMUJFWSA-N 1 0 371.419 -0.090 20 5 FBBDRO [NH3+]C[C@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000417337950 484674557 /nfs/dbraw/zinc/67/45/57/484674557.db2.gz JNQNCWJSYJRKLY-ZDUSSCGKSA-N 1 0 371.419 -0.090 20 5 FBBDRO C[C@@H](CC[NH3+])NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417337957 484673976 /nfs/dbraw/zinc/67/39/76/484673976.db2.gz JOWPICHVRRXXFE-JTQLQIEISA-N 1 0 359.408 -0.090 20 5 FBBDRO C[C@H](CC[NH3+])NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417337958 484674063 /nfs/dbraw/zinc/67/40/63/484674063.db2.gz JOWPICHVRRXXFE-SNVBAGLBSA-N 1 0 359.408 -0.090 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCC[NH2+]C1 ZINC000417338400 484674136 /nfs/dbraw/zinc/67/41/36/484674136.db2.gz KBKZVSOQHBIIHO-NSHDSACASA-N 1 0 371.419 -0.076 20 5 FBBDRO [NH3+][C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417340528 484674690 /nfs/dbraw/zinc/67/46/90/484674690.db2.gz MUUQXSLYRKQUPL-JTQLQIEISA-N 1 0 357.392 -0.384 20 5 FBBDRO [NH3+][C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417340529 484673888 /nfs/dbraw/zinc/67/38/88/484673888.db2.gz MUUQXSLYRKQUPL-SNVBAGLBSA-N 1 0 357.392 -0.384 20 5 FBBDRO C[NH2+]CCCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417340533 484673990 /nfs/dbraw/zinc/67/39/90/484673990.db2.gz MVIJLDDADPLYIW-UHFFFAOYSA-N 1 0 359.408 -0.218 20 5 FBBDRO [NH3+]CCCCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417340826 484674046 /nfs/dbraw/zinc/67/40/46/484674046.db2.gz MVXKNLHMVLEMPF-UHFFFAOYSA-N 1 0 359.408 -0.089 20 5 FBBDRO [NH3+][C@H](CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000417340989 484674127 /nfs/dbraw/zinc/67/41/27/484674127.db2.gz NMXNLWWBQWCJHB-CYBMUJFWSA-N 1 0 371.419 -0.090 20 5 FBBDRO [NH3+][C@@H](CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000417340993 484674576 /nfs/dbraw/zinc/67/45/76/484674576.db2.gz NMXNLWWBQWCJHB-ZDUSSCGKSA-N 1 0 371.419 -0.090 20 5 FBBDRO C[C@H]([NH3+])CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417342099 484673857 /nfs/dbraw/zinc/67/38/57/484673857.db2.gz OVLAEPLPMZTPSQ-JTQLQIEISA-N 1 0 359.408 -0.090 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[NH2+]1 ZINC000417342514 484674319 /nfs/dbraw/zinc/67/43/19/484674319.db2.gz PDJNWGXWJDCAQT-LLVKDONJSA-N 1 0 371.419 -0.076 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[NH2+]1 ZINC000417342515 484674664 /nfs/dbraw/zinc/67/46/64/484674664.db2.gz PDJNWGXWJDCAQT-NSHDSACASA-N 1 0 371.419 -0.076 20 5 FBBDRO C[NH2+][C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417343823 484673947 /nfs/dbraw/zinc/67/39/47/484673947.db2.gz QZWFAHFXYFCTER-LLVKDONJSA-N 1 0 371.419 -0.124 20 5 FBBDRO C[NH2+][C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000417343824 484674094 /nfs/dbraw/zinc/67/40/94/484674094.db2.gz QZWFAHFXYFCTER-NSHDSACASA-N 1 0 371.419 -0.124 20 5 FBBDRO CC(C)([NH3+])CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417346328 484673937 /nfs/dbraw/zinc/67/39/37/484673937.db2.gz VTXITOVEPNDHPL-UHFFFAOYSA-N 1 0 359.408 -0.090 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C1 ZINC000417347216 484674447 /nfs/dbraw/zinc/67/44/47/484674447.db2.gz WXTYEDLBEUYKLQ-JTQLQIEISA-N 1 0 357.392 -0.466 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C1 ZINC000417347218 484674678 /nfs/dbraw/zinc/67/46/78/484674678.db2.gz WXTYEDLBEUYKLQ-SNVBAGLBSA-N 1 0 357.392 -0.466 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]C1 ZINC000417669990 484677646 /nfs/dbraw/zinc/67/76/46/484677646.db2.gz AQDBJVFSJDVAGM-LLVKDONJSA-N 1 0 371.419 -0.076 20 5 FBBDRO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000417677325 484677231 /nfs/dbraw/zinc/67/72/31/484677231.db2.gz HDRFYISKJWGQSO-LLVKDONJSA-N 1 0 371.419 -0.124 20 5 FBBDRO C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000417677326 484676741 /nfs/dbraw/zinc/67/67/41/484676741.db2.gz HDRFYISKJWGQSO-NSHDSACASA-N 1 0 371.419 -0.124 20 5 FBBDRO CC[C@H]([NH3+])CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417678261 484676668 /nfs/dbraw/zinc/67/66/68/484676668.db2.gz JJBQMTIOUHSKHW-JTQLQIEISA-N 1 0 359.408 -0.090 20 5 FBBDRO CC[C@@H]([NH3+])CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417678262 484677045 /nfs/dbraw/zinc/67/70/45/484677045.db2.gz JJBQMTIOUHSKHW-SNVBAGLBSA-N 1 0 359.408 -0.090 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417679595 484677131 /nfs/dbraw/zinc/67/71/31/484677131.db2.gz LUVYGEZPWQPTFV-IWIIMEHWSA-N 1 0 369.403 -0.610 20 5 FBBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417683936 484677227 /nfs/dbraw/zinc/67/72/27/484677227.db2.gz VQNKCTOFPQUBON-NXEZZACHSA-N 1 0 359.408 -0.092 20 5 FBBDRO C[C@H]([NH3+])[C@H](C)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417683941 484676806 /nfs/dbraw/zinc/67/68/06/484676806.db2.gz VQNKCTOFPQUBON-UWVGGRQHSA-N 1 0 359.408 -0.092 20 5 FBBDRO C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000417683948 484677539 /nfs/dbraw/zinc/67/75/39/484677539.db2.gz VQNKCTOFPQUBON-VHSXEESVSA-N 1 0 359.408 -0.092 20 5 FBBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417683952 484677338 /nfs/dbraw/zinc/67/73/38/484677338.db2.gz VQNKCTOFPQUBON-ZJUUUORDSA-N 1 0 359.408 -0.092 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+]C1 ZINC000417686372 484677620 /nfs/dbraw/zinc/67/76/20/484677620.db2.gz AQDBJVFSJDVAGM-NSHDSACASA-N 1 0 371.419 -0.076 20 5 FBBDRO [NH3+][C@H](CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000417686408 484676790 /nfs/dbraw/zinc/67/67/90/484676790.db2.gz ATCYBXDXNBSDTA-LLVKDONJSA-N 1 0 371.419 -0.090 20 5 FBBDRO [NH3+][C@@H](CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000417686411 484676718 /nfs/dbraw/zinc/67/67/18/484676718.db2.gz ATCYBXDXNBSDTA-NSHDSACASA-N 1 0 371.419 -0.090 20 5 FBBDRO C[NH2+]CCN(C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417686980 484060367 /nfs/dbraw/zinc/06/03/67/484060367.db2.gz BLPYPHVCIIAAHE-UHFFFAOYSA-N 1 0 359.408 -0.266 20 5 FBBDRO C[NH2+]CCCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417687793 484676771 /nfs/dbraw/zinc/67/67/71/484676771.db2.gz CTHYKVBESJSAMP-UHFFFAOYSA-N 1 0 359.408 -0.218 20 5 FBBDRO C[NH2+][C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417688447 484676837 /nfs/dbraw/zinc/67/68/37/484676837.db2.gz DPCIFHLKUHKPKG-LLVKDONJSA-N 1 0 371.419 -0.124 20 5 FBBDRO C[NH2+][C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417688448 484677448 /nfs/dbraw/zinc/67/74/48/484677448.db2.gz DPCIFHLKUHKPKG-NSHDSACASA-N 1 0 371.419 -0.124 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC1CC[NH2+]CC1 ZINC000417688529 484677314 /nfs/dbraw/zinc/67/73/14/484677314.db2.gz DYLCVFLEZVUNMX-UHFFFAOYSA-N 1 0 371.419 -0.076 20 5 FBBDRO CC[NH2+]CCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417689877 484677285 /nfs/dbraw/zinc/67/72/85/484677285.db2.gz HBACKXWKMAWPMQ-UHFFFAOYSA-N 1 0 359.408 -0.218 20 5 FBBDRO [NH3+]C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000417691724 484677519 /nfs/dbraw/zinc/67/75/19/484677519.db2.gz KSCGCPNXFNSVQK-LLVKDONJSA-N 1 0 371.419 -0.090 20 5 FBBDRO [NH3+]C[C@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000417691725 484676625 /nfs/dbraw/zinc/67/66/25/484676625.db2.gz KSCGCPNXFNSVQK-NSHDSACASA-N 1 0 371.419 -0.090 20 5 FBBDRO [NH3+][C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417699989 484677024 /nfs/dbraw/zinc/67/70/24/484677024.db2.gz LMYDNWLMTGTKHG-JTQLQIEISA-N 1 0 357.392 -0.384 20 5 FBBDRO [NH3+][C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000417699990 484677601 /nfs/dbraw/zinc/67/76/01/484677601.db2.gz LMYDNWLMTGTKHG-SNVBAGLBSA-N 1 0 357.392 -0.384 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]1 ZINC000417700006 484676919 /nfs/dbraw/zinc/67/69/19/484676919.db2.gz LPVKNNFRAUVWRM-LLVKDONJSA-N 1 0 371.419 -0.076 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]1 ZINC000417700007 484677261 /nfs/dbraw/zinc/67/72/61/484677261.db2.gz LPVKNNFRAUVWRM-NSHDSACASA-N 1 0 371.419 -0.076 20 5 FBBDRO C[C@@H](CC[NH3+])NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417701193 484677347 /nfs/dbraw/zinc/67/73/47/484677347.db2.gz NBUMTFZOMDVPLJ-JTQLQIEISA-N 1 0 359.408 -0.090 20 5 FBBDRO C[C@H](CC[NH3+])NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417701194 484677593 /nfs/dbraw/zinc/67/75/93/484677593.db2.gz NBUMTFZOMDVPLJ-SNVBAGLBSA-N 1 0 359.408 -0.090 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000417701641 484677008 /nfs/dbraw/zinc/67/70/08/484677008.db2.gz NXQNWXIOBSKTGL-UHFFFAOYSA-N 1 0 357.392 -0.512 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C1 ZINC000417702509 484676821 /nfs/dbraw/zinc/67/68/21/484676821.db2.gz PGUGEWSSAGMXNN-JTQLQIEISA-N 1 0 357.392 -0.466 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C1 ZINC000417702510 484677611 /nfs/dbraw/zinc/67/76/11/484677611.db2.gz PGUGEWSSAGMXNN-SNVBAGLBSA-N 1 0 357.392 -0.466 20 5 FBBDRO [NH3+]CCCCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417703140 484677550 /nfs/dbraw/zinc/67/75/50/484677550.db2.gz QTVOJIGURRAADL-UHFFFAOYSA-N 1 0 359.408 -0.089 20 5 FBBDRO C[C@@H](C[NH3+])N(C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417703154 484066348 /nfs/dbraw/zinc/06/63/48/484066348.db2.gz QVKGJWSUMLIIGQ-JTQLQIEISA-N 1 0 359.408 -0.138 20 5 FBBDRO C[C@H](C[NH3+])N(C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417703155 484677099 /nfs/dbraw/zinc/67/70/99/484677099.db2.gz QVKGJWSUMLIIGQ-SNVBAGLBSA-N 1 0 359.408 -0.138 20 5 FBBDRO C[C@@H](C[NH3+])CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417703485 484066598 /nfs/dbraw/zinc/06/65/98/484066598.db2.gz RCNRENZWGKYMKE-JTQLQIEISA-N 1 0 359.408 -0.233 20 5 FBBDRO C[C@H](C[NH3+])CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417703486 484676688 /nfs/dbraw/zinc/67/66/88/484676688.db2.gz RCNRENZWGKYMKE-SNVBAGLBSA-N 1 0 359.408 -0.233 20 5 FBBDRO CC(C)([NH3+])CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417704287 484677410 /nfs/dbraw/zinc/67/74/10/484677410.db2.gz SBRFRAWKVUBMKV-UHFFFAOYSA-N 1 0 359.408 -0.090 20 5 FBBDRO C[C@H]([NH3+])CCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417705605 484677072 /nfs/dbraw/zinc/67/70/72/484677072.db2.gz UWDHDDURKADXJG-JTQLQIEISA-N 1 0 359.408 -0.090 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000417705647 484677325 /nfs/dbraw/zinc/67/73/25/484677325.db2.gz VCCATTXVFAVAAF-UHFFFAOYSA-N 1 0 371.419 -0.122 20 5 FBBDRO CC(C)(C[NH3+])NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417706277 484677145 /nfs/dbraw/zinc/67/71/45/484677145.db2.gz VULRFXSZIRQNSQ-UHFFFAOYSA-N 1 0 359.408 -0.090 20 5 FBBDRO O=C(NCCN1CC[NH2+]CC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418291792 484681747 /nfs/dbraw/zinc/68/17/47/484681747.db2.gz BZJZFLIZORRWAA-UHFFFAOYSA-N 1 0 363.422 -0.273 20 5 FBBDRO [NH3+]CCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418295738 484681291 /nfs/dbraw/zinc/68/12/91/484681291.db2.gz KJCFJRIVLDZURZ-UHFFFAOYSA-N 1 0 357.392 -0.431 20 5 FBBDRO [NH3+]CCNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418297187 484681155 /nfs/dbraw/zinc/68/11/55/484681155.db2.gz NGAISXGPUDYERU-UHFFFAOYSA-N 1 0 357.392 -0.431 20 5 FBBDRO [NH3+]CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418298584 484681130 /nfs/dbraw/zinc/68/11/30/484681130.db2.gz QENMVWAGNXQEQG-UHFFFAOYSA-N 1 0 357.392 -0.431 20 5 FBBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)NCC[NH3+])CC1 ZINC000418301363 484681883 /nfs/dbraw/zinc/68/18/83/484681883.db2.gz YESFOVIJEQWAIQ-UHFFFAOYSA-N 1 0 371.419 -0.122 20 5 FBBDRO [NH3+]CCCNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418307286 484681320 /nfs/dbraw/zinc/68/13/20/484681320.db2.gz CZDGGFVPTWQLTN-UHFFFAOYSA-N 1 0 371.419 -0.041 20 5 FBBDRO [NH3+]CCCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418309500 484681165 /nfs/dbraw/zinc/68/11/65/484681165.db2.gz IHTSMSVGZOLJKV-UHFFFAOYSA-N 1 0 371.419 -0.041 20 5 FBBDRO C[NH2+]CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418315336 484681608 /nfs/dbraw/zinc/68/16/08/484681608.db2.gz GZTAKQIBKUPRGF-UHFFFAOYSA-N 1 0 371.419 -0.170 20 5 FBBDRO C[NH2+]CCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418315987 484681833 /nfs/dbraw/zinc/68/18/33/484681833.db2.gz JELMLXAXFKBITH-UHFFFAOYSA-N 1 0 371.419 -0.170 20 5 FBBDRO [NH3+]CCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418316878 658688957 /nfs/dbraw/zinc/68/89/57/658688957.db2.gz XLECZIYKTLWYGH-UHFFFAOYSA-N 1 0 371.419 -0.041 20 5 FBBDRO C[NH2+]CCNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418321685 484681693 /nfs/dbraw/zinc/68/16/93/484681693.db2.gz ZWOJPHOAALFEGV-UHFFFAOYSA-N 1 0 371.419 -0.170 20 5 FBBDRO C[C@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418517953 484626046 /nfs/dbraw/zinc/62/60/46/484626046.db2.gz WIARIJIUEKATHE-LLVKDONJSA-N 1 0 371.419 -0.042 20 5 FBBDRO C[C@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418518427 484682866 /nfs/dbraw/zinc/68/28/66/484682866.db2.gz XSEJGRUFRMOBJM-LLVKDONJSA-N 1 0 371.419 -0.042 20 5 FBBDRO C[C@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418518653 484683088 /nfs/dbraw/zinc/68/30/88/484683088.db2.gz YKISGZUNDGBCRR-LLVKDONJSA-N 1 0 371.419 -0.042 20 5 FBBDRO C[C@@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000418623203 484684469 /nfs/dbraw/zinc/68/44/69/484684469.db2.gz WIARIJIUEKATHE-NSHDSACASA-N 1 0 371.419 -0.042 20 5 FBBDRO C[C@@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000418623815 484684032 /nfs/dbraw/zinc/68/40/32/484684032.db2.gz XSEJGRUFRMOBJM-NSHDSACASA-N 1 0 371.419 -0.042 20 5 FBBDRO C[C@@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418624013 484684450 /nfs/dbraw/zinc/68/44/50/484684450.db2.gz YKISGZUNDGBCRR-NSHDSACASA-N 1 0 371.419 -0.042 20 5 FBBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418758733 484684016 /nfs/dbraw/zinc/68/40/16/484684016.db2.gz IRPMSHAKWKWQRL-CYBMUJFWSA-N 1 0 363.422 -0.275 20 5 FBBDRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418758746 484683920 /nfs/dbraw/zinc/68/39/20/484683920.db2.gz IRPMSHAKWKWQRL-ZDUSSCGKSA-N 1 0 363.422 -0.275 20 5 FBBDRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418778551 484684299 /nfs/dbraw/zinc/68/42/99/484684299.db2.gz ZQBUGGYXJJEJSE-GFCCVEGCSA-N 1 0 350.379 -0.190 20 5 FBBDRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418778552 484684627 /nfs/dbraw/zinc/68/46/27/484684627.db2.gz ZQBUGGYXJJEJSE-LBPRGKRZSA-N 1 0 350.379 -0.190 20 5 FBBDRO [NH3+]CCN(CCO)C(=O)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000418802783 484684696 /nfs/dbraw/zinc/68/46/96/484684696.db2.gz FPMUVLJFIMGUGB-UHFFFAOYSA-N 1 0 358.782 -0.314 20 5 FBBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000418930630 484685755 /nfs/dbraw/zinc/68/57/55/484685755.db2.gz FVMVXBCTNLNUCX-GFCCVEGCSA-N 1 0 352.347 -0.594 20 5 FBBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000418930643 484685903 /nfs/dbraw/zinc/68/59/03/484685903.db2.gz FVMVXBCTNLNUCX-LBPRGKRZSA-N 1 0 352.347 -0.594 20 5 FBBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000418948818 484685266 /nfs/dbraw/zinc/68/52/66/484685266.db2.gz QZFGLGSCJNQUDJ-RYUDHWBXSA-N 1 0 352.347 -0.989 20 5 FBBDRO COc1cc(CCNC(=O)C(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000419014144 484687213 /nfs/dbraw/zinc/68/72/13/484687213.db2.gz CFJXVNGPKGQXPI-UHFFFAOYSA-N 1 0 366.374 -0.298 20 5 FBBDRO O=C(NCCN1CC[NH2+]CC1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419169104 484686532 /nfs/dbraw/zinc/68/65/32/484686532.db2.gz UFWHZCPEEDEFFH-UHFFFAOYSA-N 1 0 369.809 -0.114 20 5 FBBDRO CN(C(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[NH2+]C[C@@H]1O ZINC000419169399 484686754 /nfs/dbraw/zinc/68/67/54/484686754.db2.gz URCFKYQSJWYMRG-RYUDHWBXSA-N 1 0 356.766 -0.345 20 5 FBBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000419276528 484689488 /nfs/dbraw/zinc/68/94/88/484689488.db2.gz SZMDGDHIBXDWJJ-BPNCWPANSA-N 1 0 350.375 -0.128 20 5 FBBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000419276529 484689606 /nfs/dbraw/zinc/68/96/06/484689606.db2.gz SZMDGDHIBXDWJJ-SWHYSGLUSA-N 1 0 350.375 -0.128 20 5 FBBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419344832 484691917 /nfs/dbraw/zinc/69/19/17/484691917.db2.gz GILHOPPZBGXWBR-RNCFNFMXSA-N 1 0 358.358 -0.092 20 5 FBBDRO [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419458174 484692916 /nfs/dbraw/zinc/69/29/16/484692916.db2.gz BHHYSGAXKKKMLG-UHFFFAOYSA-N 1 0 360.374 -0.105 20 5 FBBDRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC000419460020 484693075 /nfs/dbraw/zinc/69/30/75/484693075.db2.gz FGGQFIRBVTYVNC-LSDHHAIUSA-N 1 0 372.385 -0.139 20 5 FBBDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419462028 484692797 /nfs/dbraw/zinc/69/27/97/484692797.db2.gz IPSKOCNHRUENBC-GXSJLCMTSA-N 1 0 354.367 -0.863 20 5 FBBDRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419462029 484692655 /nfs/dbraw/zinc/69/26/55/484692655.db2.gz IPSKOCNHRUENBC-KOLCDFICSA-N 1 0 354.367 -0.863 20 5 FBBDRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419462030 484693094 /nfs/dbraw/zinc/69/30/94/484693094.db2.gz IPSKOCNHRUENBC-MWLCHTKSSA-N 1 0 354.367 -0.863 20 5 FBBDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419462031 484692858 /nfs/dbraw/zinc/69/28/58/484692858.db2.gz IPSKOCNHRUENBC-ONGXEEELSA-N 1 0 354.367 -0.863 20 5 FBBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419462067 484692439 /nfs/dbraw/zinc/69/24/39/484692439.db2.gz IWKWUTQXFJJOQH-GFCCVEGCSA-N 1 0 352.395 -0.198 20 5 FBBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419462068 484692988 /nfs/dbraw/zinc/69/29/88/484692988.db2.gz IWKWUTQXFJJOQH-LBPRGKRZSA-N 1 0 352.395 -0.198 20 5 FBBDRO [NH3+]C[C@@H](NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000419468712 484692634 /nfs/dbraw/zinc/69/26/34/484692634.db2.gz VPSCAYQZQKBRFS-CYBMUJFWSA-N 1 0 352.395 -0.069 20 5 FBBDRO [NH3+]C[C@H](NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000419468713 484693208 /nfs/dbraw/zinc/69/32/08/484693208.db2.gz VPSCAYQZQKBRFS-ZDUSSCGKSA-N 1 0 352.395 -0.069 20 5 FBBDRO CCOc1cc(N2CCN(C(=O)C(=O)NCC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000419832050 484698693 /nfs/dbraw/zinc/69/86/93/484698693.db2.gz IVQHUISMFMVHCJ-UHFFFAOYSA-N 1 0 365.390 -0.283 20 5 FBBDRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000419840749 484698553 /nfs/dbraw/zinc/69/85/53/484698553.db2.gz JIENYGVJGLKMKA-GFCCVEGCSA-N 1 0 362.390 -0.493 20 5 FBBDRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000419840750 484699065 /nfs/dbraw/zinc/69/90/65/484699065.db2.gz JIENYGVJGLKMKA-LBPRGKRZSA-N 1 0 362.390 -0.493 20 5 FBBDRO C[NH2+]CCCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000419846771 484698072 /nfs/dbraw/zinc/69/80/72/484698072.db2.gz QJEMFKWBQGLVBB-UHFFFAOYSA-N 1 0 350.379 -0.636 20 5 FBBDRO O=C(NCCCN1CC[NH2+]CC1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000419857859 484699227 /nfs/dbraw/zinc/69/92/27/484699227.db2.gz VKIJYIPGYMQCNO-UHFFFAOYSA-N 1 0 363.418 -0.335 20 5 FBBDRO O=C(NCCCN1CC[NH2+]CC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000419858192 484698522 /nfs/dbraw/zinc/69/85/22/484698522.db2.gz WGUAHXIFCTZJAJ-UHFFFAOYSA-N 1 0 363.418 -0.335 20 5 FBBDRO Cc1c(CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000419874304 484698132 /nfs/dbraw/zinc/69/81/32/484698132.db2.gz SVZSJJLVJGTVQW-UHFFFAOYSA-N 1 0 363.418 -0.069 20 5 FBBDRO [NH3+][C@H](CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000419874987 484700244 /nfs/dbraw/zinc/70/02/44/484700244.db2.gz WGKMRJSXBFAJQC-GFCCVEGCSA-N 1 0 362.390 -0.508 20 5 FBBDRO [NH3+][C@@H](CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000419874996 484700480 /nfs/dbraw/zinc/70/04/80/484700480.db2.gz WGKMRJSXBFAJQC-LBPRGKRZSA-N 1 0 362.390 -0.508 20 5 FBBDRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000419885535 484700730 /nfs/dbraw/zinc/70/07/30/484700730.db2.gz HKYSWIYTWSESFG-GFCCVEGCSA-N 1 0 362.390 -0.493 20 5 FBBDRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000419885536 484700410 /nfs/dbraw/zinc/70/04/10/484700410.db2.gz HKYSWIYTWSESFG-LBPRGKRZSA-N 1 0 362.390 -0.493 20 5 FBBDRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419888182 484699953 /nfs/dbraw/zinc/69/99/53/484699953.db2.gz RBMQYTOAXGUMET-UHFFFAOYSA-N 1 0 361.402 -0.499 20 5 FBBDRO CC[NH2+]CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000419897743 484699922 /nfs/dbraw/zinc/69/99/22/484699922.db2.gz WAYKDAQSOSMWQM-UHFFFAOYSA-N 1 0 350.379 -0.636 20 5 FBBDRO C[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000419903917 484700426 /nfs/dbraw/zinc/70/04/26/484700426.db2.gz XCZPBXJQHBCZNX-UHFFFAOYSA-N 1 0 363.374 -0.785 20 5 FBBDRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000419910661 484699939 /nfs/dbraw/zinc/69/99/39/484699939.db2.gz PXIMIIPZFWZRJR-UHFFFAOYSA-N 1 0 364.406 -0.246 20 5 FBBDRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000419950378 484701645 /nfs/dbraw/zinc/70/16/45/484701645.db2.gz HFSZTUQDQPVVEC-LLVKDONJSA-N 1 0 350.379 -0.651 20 5 FBBDRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000419950381 484701517 /nfs/dbraw/zinc/70/15/17/484701517.db2.gz HFSZTUQDQPVVEC-NSHDSACASA-N 1 0 350.379 -0.651 20 5 FBBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000419962503 484701553 /nfs/dbraw/zinc/70/15/53/484701553.db2.gz XZJXDGOYQLYXJA-GFCCVEGCSA-N 1 0 364.406 -0.390 20 5 FBBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000419962508 484701475 /nfs/dbraw/zinc/70/14/75/484701475.db2.gz XZJXDGOYQLYXJA-LBPRGKRZSA-N 1 0 364.406 -0.390 20 5 FBBDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000419970094 484701959 /nfs/dbraw/zinc/70/19/59/484701959.db2.gz BDYNXDIQHGLAFA-GFCCVEGCSA-N 1 0 364.406 -0.262 20 5 FBBDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000419970095 484701559 /nfs/dbraw/zinc/70/15/59/484701559.db2.gz BDYNXDIQHGLAFA-LBPRGKRZSA-N 1 0 364.406 -0.262 20 5 FBBDRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000419997354 484701491 /nfs/dbraw/zinc/70/14/91/484701491.db2.gz OKMYGVNPCYLEHU-LLVKDONJSA-N 1 0 350.379 -0.508 20 5 FBBDRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000419997356 484701235 /nfs/dbraw/zinc/70/12/35/484701235.db2.gz OKMYGVNPCYLEHU-NSHDSACASA-N 1 0 350.379 -0.508 20 5 FBBDRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000420022853 484703347 /nfs/dbraw/zinc/70/33/47/484703347.db2.gz ABPCOOBDCGUACL-GFCCVEGCSA-N 1 0 362.390 -0.508 20 5 FBBDRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000420022854 484703257 /nfs/dbraw/zinc/70/32/57/484703257.db2.gz ABPCOOBDCGUACL-LBPRGKRZSA-N 1 0 362.390 -0.508 20 5 FBBDRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000420030517 484703282 /nfs/dbraw/zinc/70/32/82/484703282.db2.gz PVPVTOUXCFQKEX-LLVKDONJSA-N 1 0 363.374 -0.657 20 5 FBBDRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000420030519 484702898 /nfs/dbraw/zinc/70/28/98/484702898.db2.gz PVPVTOUXCFQKEX-NSHDSACASA-N 1 0 363.374 -0.657 20 5 FBBDRO CC(C)([NH3+])CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000420046511 484703363 /nfs/dbraw/zinc/70/33/63/484703363.db2.gz ARWSTVMMXCSTLR-UHFFFAOYSA-N 1 0 350.379 -0.508 20 5 FBBDRO [NH3+]C1(CNC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCC1 ZINC000420094983 484704463 /nfs/dbraw/zinc/70/44/63/484704463.db2.gz RUUSYDGWBXPHIN-UHFFFAOYSA-N 1 0 362.390 -0.364 20 5 FBBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000420157594 484705285 /nfs/dbraw/zinc/70/52/85/484705285.db2.gz PIFMMANXMUYEGE-GFCCVEGCSA-N 1 0 364.406 -0.247 20 5 FBBDRO COCC[NH2+]CCNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420176784 484705443 /nfs/dbraw/zinc/70/54/43/484705443.db2.gz ANWUYFLNDARLRM-UHFFFAOYSA-N 1 0 366.374 -0.463 20 5 FBBDRO COCC[NH2+]CCNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420185283 484705410 /nfs/dbraw/zinc/70/54/10/484705410.db2.gz OWAFMAZPUHAPOV-UHFFFAOYSA-N 1 0 350.375 -0.168 20 5 FBBDRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420195378 484705660 /nfs/dbraw/zinc/70/56/60/484705660.db2.gz KQAWFKSACXCYGK-CYBMUJFWSA-N 1 0 364.358 -0.711 20 5 FBBDRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420195383 484705823 /nfs/dbraw/zinc/70/58/23/484705823.db2.gz KQAWFKSACXCYGK-ZDUSSCGKSA-N 1 0 364.358 -0.711 20 5 FBBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420199096 484704992 /nfs/dbraw/zinc/70/49/92/484704992.db2.gz WPQDJTBTCBBWAB-HNNXBMFYSA-N 1 0 362.386 -0.026 20 5 FBBDRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420199099 484705180 /nfs/dbraw/zinc/70/51/80/484705180.db2.gz WPQDJTBTCBBWAB-OAHLLOKOSA-N 1 0 362.386 -0.026 20 5 FBBDRO COC(=O)CNC(=O)c1ccc(NC[C@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000420277707 484708302 /nfs/dbraw/zinc/70/83/02/484708302.db2.gz QSVNWIGWHNYSRQ-GFCCVEGCSA-N 1 0 365.390 -0.187 20 5 FBBDRO COC(=O)CNC(=O)c1ccc(NC[C@@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000420277709 484708703 /nfs/dbraw/zinc/70/87/03/484708703.db2.gz QSVNWIGWHNYSRQ-LBPRGKRZSA-N 1 0 365.390 -0.187 20 5 FBBDRO COCC[NH2+]CCNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000420440028 484711108 /nfs/dbraw/zinc/71/11/08/484711108.db2.gz SZSPTFSJFJKPJC-UHFFFAOYSA-N 1 0 361.376 -0.104 20 5 FBBDRO COc1c(F)cc(S(=O)(=O)NC[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000420463118 484710715 /nfs/dbraw/zinc/71/07/15/484710715.db2.gz WDGRBJHYXRJIBE-SECBINFHSA-N 1 0 362.383 -0.076 20 5 FBBDRO COc1c(F)cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000420463121 484711418 /nfs/dbraw/zinc/71/14/18/484711418.db2.gz WDGRBJHYXRJIBE-VIFPVBQESA-N 1 0 362.383 -0.076 20 5 FBBDRO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NC[C@H]1C[NH2+]CCO1)OCCO2 ZINC000420474085 484711278 /nfs/dbraw/zinc/71/12/78/484711278.db2.gz FFXJLRFRAMLLJR-SECBINFHSA-N 1 0 359.360 -0.367 20 5 FBBDRO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NC[C@@H]1C[NH2+]CCO1)OCCO2 ZINC000420474086 484711543 /nfs/dbraw/zinc/71/15/43/484711543.db2.gz FFXJLRFRAMLLJR-VIFPVBQESA-N 1 0 359.360 -0.367 20 5 FBBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCC(=O)NC(N)=O ZINC000421035028 484724721 /nfs/dbraw/zinc/72/47/21/484724721.db2.gz YYDVSSVAFSCXMN-UHFFFAOYSA-N 1 0 373.391 -0.610 20 5 FBBDRO O=C(C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000422993153 484742479 /nfs/dbraw/zinc/74/24/79/484742479.db2.gz SLPKVCFQFYFABF-OKILXGFUSA-N 1 0 373.413 -0.079 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423081297 484745067 /nfs/dbraw/zinc/74/50/67/484745067.db2.gz CPYAJFMEIBCQDM-YGRLFVJLSA-N 1 0 354.388 -0.259 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423096746 484745005 /nfs/dbraw/zinc/74/50/05/484745005.db2.gz PSEUJMQBBXAUDD-YGRLFVJLSA-N 1 0 354.388 -0.259 20 5 FBBDRO O=C(C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423154590 484744933 /nfs/dbraw/zinc/74/49/33/484744933.db2.gz PCBMYWOWHGYVSG-OKILXGFUSA-N 1 0 373.413 -0.079 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@]12C[C@H]1CC[NH2+]2 ZINC000423217343 484744454 /nfs/dbraw/zinc/74/44/54/484744454.db2.gz RWJVQCIKEOQNLU-YGRLFVJLSA-N 1 0 354.388 -0.259 20 5 FBBDRO CN(CC[NH3+])C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000423397706 484746430 /nfs/dbraw/zinc/74/64/30/484746430.db2.gz UVOIGHQTTNBDIW-UHFFFAOYSA-N 1 0 363.374 -0.704 20 5 FBBDRO COCC[NH2+]CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423499457 484748119 /nfs/dbraw/zinc/74/81/19/484748119.db2.gz CPBBQBWOZWNIIQ-UHFFFAOYSA-N 1 0 360.392 -0.775 20 5 FBBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423575008 484749270 /nfs/dbraw/zinc/74/92/70/484749270.db2.gz YASBXWFBELPTHE-GHMZBOCLSA-N 1 0 356.404 -0.013 20 5 FBBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423575009 484749084 /nfs/dbraw/zinc/74/90/84/484749084.db2.gz YASBXWFBELPTHE-MNOVXSKESA-N 1 0 356.404 -0.013 20 5 FBBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423575010 484749127 /nfs/dbraw/zinc/74/91/27/484749127.db2.gz YASBXWFBELPTHE-QWRGUYRKSA-N 1 0 356.404 -0.013 20 5 FBBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423575011 484749914 /nfs/dbraw/zinc/74/99/14/484749914.db2.gz YASBXWFBELPTHE-WDEREUQCSA-N 1 0 356.404 -0.013 20 5 FBBDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000423579502 484749587 /nfs/dbraw/zinc/74/95/87/484749587.db2.gz OJQICMFRLFEWKC-CYBMUJFWSA-N 1 0 364.358 -0.630 20 5 FBBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000423579503 484750056 /nfs/dbraw/zinc/75/00/56/484750056.db2.gz OJQICMFRLFEWKC-ZDUSSCGKSA-N 1 0 364.358 -0.630 20 5 FBBDRO O=C(C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000423580767 484749830 /nfs/dbraw/zinc/74/98/30/484749830.db2.gz SYCZULBIUOODTJ-TXEJJXNPSA-N 1 0 360.370 -0.138 20 5 FBBDRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423582792 484749347 /nfs/dbraw/zinc/74/93/47/484749347.db2.gz BCIBYRPNWUZCKN-UHFFFAOYSA-N 1 0 350.379 -0.684 20 5 FBBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000423588766 484748904 /nfs/dbraw/zinc/74/89/04/484748904.db2.gz HDALLOKSUJSAPN-GFCCVEGCSA-N 1 0 362.390 -0.541 20 5 FBBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000423588796 484749292 /nfs/dbraw/zinc/74/92/92/484749292.db2.gz HDALLOKSUJSAPN-LBPRGKRZSA-N 1 0 362.390 -0.541 20 5 FBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423588948 484749043 /nfs/dbraw/zinc/74/90/43/484749043.db2.gz BOGZRYSBHAQPFZ-PHIMTYICSA-N 1 0 354.388 -0.449 20 5 FBBDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423589653 484749333 /nfs/dbraw/zinc/74/93/33/484749333.db2.gz CPPVKHCOQKIKKV-GFCCVEGCSA-N 1 0 362.390 -0.541 20 5 FBBDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423589656 484749838 /nfs/dbraw/zinc/74/98/38/484749838.db2.gz CPPVKHCOQKIKKV-LBPRGKRZSA-N 1 0 362.390 -0.541 20 5 FBBDRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423593985 484749604 /nfs/dbraw/zinc/74/96/04/484749604.db2.gz NRMUTYBRNJPBBP-UHFFFAOYSA-N 1 0 364.406 -0.294 20 5 FBBDRO O=C(C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423597997 484749059 /nfs/dbraw/zinc/74/90/59/484749059.db2.gz VBFPZTQEYDFPRT-BETUJISGSA-N 1 0 374.401 -0.684 20 5 FBBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000423599599 484749896 /nfs/dbraw/zinc/74/98/96/484749896.db2.gz XKRUIKBHGVPQIA-GFCCVEGCSA-N 1 0 362.390 -0.541 20 5 FBBDRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000423599600 484749982 /nfs/dbraw/zinc/74/99/82/484749982.db2.gz XKRUIKBHGVPQIA-LBPRGKRZSA-N 1 0 362.390 -0.541 20 5 FBBDRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000423600526 484749440 /nfs/dbraw/zinc/74/94/40/484749440.db2.gz YPPJORHWVMOFFI-GFCCVEGCSA-N 1 0 362.390 -0.412 20 5 FBBDRO O=C(C(=O)N1CCC[NH2+]CC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423617729 484749302 /nfs/dbraw/zinc/74/93/02/484749302.db2.gz XRLDGIHKOYFWPZ-UHFFFAOYSA-N 1 0 362.390 -0.540 20 5 FBBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000423681518 484751497 /nfs/dbraw/zinc/75/14/97/484751497.db2.gz NKKMQFXHAMOEFT-KBPBESRZSA-N 1 0 350.375 -0.613 20 5 FBBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000423685555 484750913 /nfs/dbraw/zinc/75/09/13/484750913.db2.gz SFUILLPEEHOZOM-KBPBESRZSA-N 1 0 350.375 -0.613 20 5 FBBDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423703551 484751435 /nfs/dbraw/zinc/75/14/35/484751435.db2.gz KIFSNRLSFDHELV-LLVKDONJSA-N 1 0 350.379 -0.556 20 5 FBBDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000423703554 484750990 /nfs/dbraw/zinc/75/09/90/484750990.db2.gz KIFSNRLSFDHELV-NSHDSACASA-N 1 0 350.379 -0.556 20 5 FBBDRO CN(CC[NH3+])C(=O)C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000423713456 484751582 /nfs/dbraw/zinc/75/15/82/484751582.db2.gz VUBQZXHVBCBQPY-UHFFFAOYSA-N 1 0 363.374 -0.704 20 5 FBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423729598 484751051 /nfs/dbraw/zinc/75/10/51/484751051.db2.gz KNNYIWNJJNVZIX-PWSUYJOCSA-N 1 0 354.388 -0.307 20 5 FBBDRO O=C(C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423742780 484750588 /nfs/dbraw/zinc/75/05/88/484750588.db2.gz ZIWGXSZZZZRNPI-OCCSQVGLSA-N 1 0 374.401 -0.541 20 5 FBBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]CCO1 ZINC000423994335 484752515 /nfs/dbraw/zinc/75/25/15/484752515.db2.gz SEHAVSLTCHQONO-GFCCVEGCSA-N 1 0 372.403 -0.632 20 5 FBBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]CCO1 ZINC000423994340 484753013 /nfs/dbraw/zinc/75/30/13/484753013.db2.gz SEHAVSLTCHQONO-LBPRGKRZSA-N 1 0 372.403 -0.632 20 5 FBBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH2+]CCO1 ZINC000423995625 484752487 /nfs/dbraw/zinc/75/24/87/484752487.db2.gz VFUMUQRXBFVMTQ-GFCCVEGCSA-N 1 0 372.403 -0.632 20 5 FBBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]CCO1 ZINC000423995626 484753198 /nfs/dbraw/zinc/75/31/98/484753198.db2.gz VFUMUQRXBFVMTQ-LBPRGKRZSA-N 1 0 372.403 -0.632 20 5 FBBDRO CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000424070387 484754276 /nfs/dbraw/zinc/75/42/76/484754276.db2.gz XODYSGXNQPKVGZ-NEPJUHHUSA-N 1 0 368.415 -0.006 20 5 FBBDRO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000424074242 484754991 /nfs/dbraw/zinc/75/49/91/484754991.db2.gz GUBWLAGUPKYTQB-WDEREUQCSA-N 1 0 354.388 -0.225 20 5 FBBDRO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000424077379 484754034 /nfs/dbraw/zinc/75/40/34/484754034.db2.gz NWHVXXNVHGPXLT-QWHCGFSZSA-N 1 0 354.388 -0.225 20 5 FBBDRO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000424079282 484754450 /nfs/dbraw/zinc/75/44/50/484754450.db2.gz QZQMOAAHGAZYTA-QWHCGFSZSA-N 1 0 354.388 -0.225 20 5 FBBDRO C[C@@H]1CC2(CN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)CC[NH2+]CC2 ZINC000424519550 484762920 /nfs/dbraw/zinc/76/29/20/484762920.db2.gz JSIFBVWFFLZGNZ-GFCCVEGCSA-N 1 0 364.406 -0.102 20 5 FBBDRO C[C@H]1CC2(CN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)CC[NH2+]CC2 ZINC000424519551 484762802 /nfs/dbraw/zinc/76/28/02/484762802.db2.gz JSIFBVWFFLZGNZ-LBPRGKRZSA-N 1 0 364.406 -0.102 20 5 FBBDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc([N+](=O)[O-])nn3C)CC2)C1=O ZINC000425300917 484771218 /nfs/dbraw/zinc/77/12/18/484771218.db2.gz AQXYYSLHUGBGDJ-LLVKDONJSA-N 1 0 350.379 -0.247 20 5 FBBDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc([N+](=O)[O-])nn3C)CC2)C1=O ZINC000425300921 484771152 /nfs/dbraw/zinc/77/11/52/484771152.db2.gz AQXYYSLHUGBGDJ-NSHDSACASA-N 1 0 350.379 -0.247 20 5 FBBDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CC1=O ZINC000425316284 484771722 /nfs/dbraw/zinc/77/17/22/484771722.db2.gz LLLBCYZALCDHSA-LLVKDONJSA-N 1 0 368.394 -0.763 20 5 FBBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CC1=O ZINC000425316285 484772107 /nfs/dbraw/zinc/77/21/07/484772107.db2.gz LLLBCYZALCDHSA-NSHDSACASA-N 1 0 368.394 -0.763 20 5 FBBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1=O ZINC000425319303 484771923 /nfs/dbraw/zinc/77/19/23/484771923.db2.gz PRNLVSGOTDEYMO-JTQLQIEISA-N 1 0 354.367 -0.773 20 5 FBBDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1=O ZINC000425319304 484771700 /nfs/dbraw/zinc/77/17/00/484771700.db2.gz PRNLVSGOTDEYMO-SNVBAGLBSA-N 1 0 354.367 -0.773 20 5 FBBDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CC1=O ZINC000425321850 484772027 /nfs/dbraw/zinc/77/20/27/484772027.db2.gz SOXVDCYJHRHWFU-LLVKDONJSA-N 1 0 368.394 -0.763 20 5 FBBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CC1=O ZINC000425321851 484771772 /nfs/dbraw/zinc/77/17/72/484771772.db2.gz SOXVDCYJHRHWFU-NSHDSACASA-N 1 0 368.394 -0.763 20 5 FBBDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1=O ZINC000425323389 484771098 /nfs/dbraw/zinc/77/10/98/484771098.db2.gz VCYGPSDIUCWVER-LLVKDONJSA-N 1 0 368.394 -0.763 20 5 FBBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1=O ZINC000425323390 484771386 /nfs/dbraw/zinc/77/13/86/484771386.db2.gz VCYGPSDIUCWVER-NSHDSACASA-N 1 0 368.394 -0.763 20 5 FBBDRO O=C(C[C@H]1CC[NH2+]C1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000427348120 484786748 /nfs/dbraw/zinc/78/67/48/484786748.db2.gz UQMNPEXBLCJIFG-LLVKDONJSA-N 1 0 356.404 -0.011 20 5 FBBDRO O=C(C[C@@H]1CC[NH2+]C1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000427348121 484786687 /nfs/dbraw/zinc/78/66/87/484786687.db2.gz UQMNPEXBLCJIFG-NSHDSACASA-N 1 0 356.404 -0.011 20 5 FBBDRO O=C(C[C@H]1CC[NH2+]C1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000427363179 484787350 /nfs/dbraw/zinc/78/73/50/484787350.db2.gz TYRXFCYNAXOCMW-LLVKDONJSA-N 1 0 356.404 -0.011 20 5 FBBDRO O=C(C[C@@H]1CC[NH2+]C1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000427363180 484787420 /nfs/dbraw/zinc/78/74/20/484787420.db2.gz TYRXFCYNAXOCMW-NSHDSACASA-N 1 0 356.404 -0.011 20 5 FBBDRO O=C(C[C@H]1CC[NH2+]C1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000427377012 484786886 /nfs/dbraw/zinc/78/68/86/484786886.db2.gz VEKHGLLTCWKLKX-LLVKDONJSA-N 1 0 356.404 -0.011 20 5 FBBDRO O=C(C[C@@H]1CC[NH2+]C1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000427377013 484786593 /nfs/dbraw/zinc/78/65/93/484786593.db2.gz VEKHGLLTCWKLKX-NSHDSACASA-N 1 0 356.404 -0.011 20 5 FBBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000428178920 484791208 /nfs/dbraw/zinc/79/12/08/484791208.db2.gz DRKBYMYQGULULW-UHFFFAOYSA-N 1 0 373.373 -0.321 20 5 FBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428600687 483963443 /nfs/dbraw/zinc/96/34/43/483963443.db2.gz XMFGTLVWOLTVIX-GFCCVEGCSA-N 1 0 350.379 -0.538 20 5 FBBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428600688 484796662 /nfs/dbraw/zinc/79/66/62/484796662.db2.gz XMFGTLVWOLTVIX-LBPRGKRZSA-N 1 0 350.379 -0.538 20 5 FBBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428605047 484796121 /nfs/dbraw/zinc/79/61/21/484796121.db2.gz HVSUGQAPZBFXQJ-CYBMUJFWSA-N 1 0 364.406 -0.148 20 5 FBBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428605059 484795821 /nfs/dbraw/zinc/79/58/21/484795821.db2.gz HVSUGQAPZBFXQJ-ZDUSSCGKSA-N 1 0 364.406 -0.148 20 5 FBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428606304 484796571 /nfs/dbraw/zinc/79/65/71/484796571.db2.gz ZCUKOVXUIJOEGU-GFCCVEGCSA-N 1 0 350.379 -0.538 20 5 FBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428606305 484796735 /nfs/dbraw/zinc/79/67/35/484796735.db2.gz ZCUKOVXUIJOEGU-LBPRGKRZSA-N 1 0 350.379 -0.538 20 5 FBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428607167 484796648 /nfs/dbraw/zinc/79/66/48/484796648.db2.gz MZOVLEPNEVMYCC-CYBMUJFWSA-N 1 0 364.406 -0.230 20 5 FBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000428607169 484796293 /nfs/dbraw/zinc/79/62/93/484796293.db2.gz MZOVLEPNEVMYCC-ZDUSSCGKSA-N 1 0 364.406 -0.230 20 5 FBBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000428610082 484795710 /nfs/dbraw/zinc/79/57/10/484795710.db2.gz BNHHETFSVJBIOF-GFCCVEGCSA-N 1 0 364.406 -0.079 20 5 FBBDRO Cc1nn(C)c(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000428610083 484795970 /nfs/dbraw/zinc/79/59/70/484795970.db2.gz BNHHETFSVJBIOF-LBPRGKRZSA-N 1 0 364.406 -0.079 20 5 FBBDRO Cc1n[nH]c(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000428633441 484796745 /nfs/dbraw/zinc/79/67/45/484796745.db2.gz VVVUKLUBEUVYIV-LLVKDONJSA-N 1 0 350.379 -0.090 20 5 FBBDRO Cc1n[nH]c(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000428633442 484796216 /nfs/dbraw/zinc/79/62/16/484796216.db2.gz VVVUKLUBEUVYIV-NSHDSACASA-N 1 0 350.379 -0.090 20 5 FBBDRO O=C(NCCN1CC[NH2+]CC1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000428637587 484796207 /nfs/dbraw/zinc/79/62/07/484796207.db2.gz DGGRYRZTDFLQTD-GFCCVEGCSA-N 1 0 365.390 -0.186 20 5 FBBDRO O=C(NCCN1CC[NH2+]CC1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000428637589 484796268 /nfs/dbraw/zinc/79/62/68/484796268.db2.gz DGGRYRZTDFLQTD-LBPRGKRZSA-N 1 0 365.390 -0.186 20 5 FBBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCCN1CC[NH2+]CC1 ZINC000428644052 484796716 /nfs/dbraw/zinc/79/67/16/484796716.db2.gz SZBCVNFYLPLBSW-UHFFFAOYSA-N 1 0 350.375 -0.070 20 5 FBBDRO O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCCN1CC[NH2+]CC1 ZINC000428649922 484796073 /nfs/dbraw/zinc/79/60/73/484796073.db2.gz NVMXTKGSOOWJSK-UHFFFAOYSA-N 1 0 369.809 -0.001 20 5 FBBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCCN1CC[NH2+]CC1 ZINC000428656936 484796273 /nfs/dbraw/zinc/79/62/73/484796273.db2.gz LDOBDIUKMPWEAH-UHFFFAOYSA-N 1 0 364.406 -0.585 20 5 FBBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CC[NH2+]CC1 ZINC000428660077 484796704 /nfs/dbraw/zinc/79/67/04/484796704.db2.gz ZFKKEUHWQXAYGO-GFCCVEGCSA-N 1 0 353.427 -0.151 20 5 FBBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CC[NH2+]CC1 ZINC000428660079 484796712 /nfs/dbraw/zinc/79/67/12/484796712.db2.gz ZFKKEUHWQXAYGO-LBPRGKRZSA-N 1 0 353.427 -0.151 20 5 FBBDRO NS(=O)(=O)c1ccc(NCCC(=O)N2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000428745489 484797637 /nfs/dbraw/zinc/79/76/37/484797637.db2.gz BSKPDIVUCSNLFE-UHFFFAOYSA-N 1 0 371.419 -0.006 20 5 FBBDRO NS(=O)(=O)c1ccc(NCCC(=O)NC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000428745553 484798008 /nfs/dbraw/zinc/79/80/08/484798008.db2.gz FKIUZASERLMFNA-UHFFFAOYSA-N 1 0 371.419 -0.088 20 5 FBBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000428985448 484800772 /nfs/dbraw/zinc/80/07/72/484800772.db2.gz VFJHEGHHAKQVDG-LLVKDONJSA-N 1 0 351.363 -0.930 20 5 FBBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000428985449 484801011 /nfs/dbraw/zinc/80/10/11/484801011.db2.gz VFJHEGHHAKQVDG-NSHDSACASA-N 1 0 351.363 -0.930 20 5 FBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000428996672 484801091 /nfs/dbraw/zinc/80/10/91/484801091.db2.gz BMNFEJOJVPMWIH-GFCCVEGCSA-N 1 0 352.395 -0.197 20 5 FBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000428996677 484800702 /nfs/dbraw/zinc/80/07/02/484800702.db2.gz BMNFEJOJVPMWIH-LBPRGKRZSA-N 1 0 352.395 -0.197 20 5 FBBDRO NS(=O)(=O)c1ccc(NCCC(=O)N2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000429053954 484801130 /nfs/dbraw/zinc/80/11/30/484801130.db2.gz OSUCVZRTBQGLPW-JTQLQIEISA-N 1 0 371.419 -0.149 20 5 FBBDRO NS(=O)(=O)c1ccc(NCCC(=O)N2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000429053955 484801199 /nfs/dbraw/zinc/80/11/99/484801199.db2.gz OSUCVZRTBQGLPW-SNVBAGLBSA-N 1 0 371.419 -0.149 20 5 FBBDRO CS(=O)(=O)c1ccc(NCCNC(=O)COC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000429677514 484809271 /nfs/dbraw/zinc/80/92/71/484809271.db2.gz XGUVCIXCLSLLQA-UHFFFAOYSA-N 1 0 372.403 -0.485 20 5 FBBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000429679335 484810214 /nfs/dbraw/zinc/81/02/14/484810214.db2.gz FOOQVVNTPZHISP-JTQLQIEISA-N 1 0 354.388 -0.071 20 5 FBBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000429679338 484809649 /nfs/dbraw/zinc/80/96/49/484809649.db2.gz FOOQVVNTPZHISP-SNVBAGLBSA-N 1 0 354.388 -0.071 20 5 FBBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429719444 484812230 /nfs/dbraw/zinc/81/22/30/484812230.db2.gz CDEKLBVWJRVDCW-FRRDWIJNSA-N 1 0 361.424 -0.398 20 5 FBBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429719446 484811225 /nfs/dbraw/zinc/81/12/25/484811225.db2.gz CDEKLBVWJRVDCW-JHJVBQTASA-N 1 0 361.424 -0.398 20 5 FBBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429719447 484811183 /nfs/dbraw/zinc/81/11/83/484811183.db2.gz CDEKLBVWJRVDCW-RWMBFGLXSA-N 1 0 361.424 -0.398 20 5 FBBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429719449 484812294 /nfs/dbraw/zinc/81/22/94/484812294.db2.gz CDEKLBVWJRVDCW-YNEHKIRRSA-N 1 0 361.424 -0.398 20 5 FBBDRO [NH3+]C1(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000429738187 484811718 /nfs/dbraw/zinc/81/17/18/484811718.db2.gz NUDSXOCLDPUOGR-UHFFFAOYSA-N 1 0 354.388 -0.081 20 5 FBBDRO COc1ccc(NC(=O)CN(C)CC(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000430604148 484820921 /nfs/dbraw/zinc/82/09/21/484820921.db2.gz PDOJZIHBYVAQJV-UHFFFAOYSA-N 1 0 365.390 -0.095 20 5 FBBDRO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC(=O)N1CC[NH2+]CC1 ZINC000430653702 484821174 /nfs/dbraw/zinc/82/11/74/484821174.db2.gz ZGIVZFLRXXDQPZ-UHFFFAOYSA-N 1 0 361.402 -0.153 20 5 FBBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000430671230 484820954 /nfs/dbraw/zinc/82/09/54/484820954.db2.gz XCILJFCWSXSMIE-UHFFFAOYSA-N 1 0 365.390 -0.095 20 5 FBBDRO CS(=O)(=O)c1ccc(NCCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)c([N+](=O)[O-])c1 ZINC000432521878 483666536 /nfs/dbraw/zinc/66/65/36/483666536.db2.gz ZSJZFVHQVNAXBF-JOYOIKCWSA-N 1 0 372.403 -0.751 20 5 FBBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000432536119 483667439 /nfs/dbraw/zinc/66/74/39/483667439.db2.gz OYXOUXDWLXPEOA-VHSXEESVSA-N 1 0 354.388 -0.337 20 5 FBBDRO CCn1cc(S(=O)(=O)NCCN2CC[NH+](CC)CC2)c([N+](=O)[O-])n1 ZINC000433347803 483690166 /nfs/dbraw/zinc/69/01/66/483690166.db2.gz PRTYLNUEPUGBPB-UHFFFAOYSA-N 1 0 360.440 -0.273 20 5 FBBDRO O=C(NC1CC1)[C@@H](O)C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000434710731 483843360 /nfs/dbraw/zinc/84/33/60/483843360.db2.gz KFXCQGJIXXLBKU-CABCVRRESA-N 1 0 367.406 -0.496 20 5 FBBDRO O=C(NC1CC1)[C@@H](O)C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000434710732 483843351 /nfs/dbraw/zinc/84/33/51/483843351.db2.gz KFXCQGJIXXLBKU-GJZGRUSLSA-N 1 0 367.406 -0.496 20 5 FBBDRO O=C(NC1CC1)[C@H](O)C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000434710733 483843378 /nfs/dbraw/zinc/84/33/78/483843378.db2.gz KFXCQGJIXXLBKU-HUUCEWRRSA-N 1 0 367.406 -0.496 20 5 FBBDRO O=C(NC1CC1)[C@H](O)C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000434710734 483843315 /nfs/dbraw/zinc/84/33/15/483843315.db2.gz KFXCQGJIXXLBKU-LSDHHAIUSA-N 1 0 367.406 -0.496 20 5 FBBDRO CCn1cc(S(=O)(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c([N+](=O)[O-])n1 ZINC000435799756 484131876 /nfs/dbraw/zinc/13/18/76/484131876.db2.gz NDUBMOJODCSKCL-UHFFFAOYSA-N 1 0 374.423 -0.794 20 5 FBBDRO CCn1cc(S(=O)(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])n1 ZINC000435808401 484142625 /nfs/dbraw/zinc/14/26/25/484142625.db2.gz MHYFQLOBBXUOOD-LLVKDONJSA-N 1 0 360.440 -0.275 20 5 FBBDRO CCn1cc(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)c([N+](=O)[O-])n1 ZINC000435808402 484143682 /nfs/dbraw/zinc/14/36/82/484143682.db2.gz MHYFQLOBBXUOOD-NSHDSACASA-N 1 0 360.440 -0.275 20 5 FBBDRO CCn1cc(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c([N+](=O)[O-])n1 ZINC000435811179 484140662 /nfs/dbraw/zinc/14/06/62/484140662.db2.gz VRVALWGGOUYLJH-GFCCVEGCSA-N 1 0 374.467 -0.027 20 5 FBBDRO CCn1cc(S(=O)(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c([N+](=O)[O-])n1 ZINC000435811180 484145371 /nfs/dbraw/zinc/14/53/71/484145371.db2.gz 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FBBDRO CS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000438712154 484090969 /nfs/dbraw/zinc/09/09/69/484090969.db2.gz QCEPWTJQGSNHOK-DGCLKSJQSA-N 1 0 361.424 -0.587 20 5 FBBDRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000438712155 484093017 /nfs/dbraw/zinc/09/30/17/484093017.db2.gz QCEPWTJQGSNHOK-WCQYABFASA-N 1 0 361.424 -0.587 20 5 FBBDRO CS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000438712156 484090997 /nfs/dbraw/zinc/09/09/97/484090997.db2.gz QCEPWTJQGSNHOK-YPMHNXCESA-N 1 0 361.424 -0.587 20 5 FBBDRO O=C(C[NH+]1CCCC1)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438722808 484093679 /nfs/dbraw/zinc/09/36/79/484093679.db2.gz MBCLXUPOTLXLGH-HNNXBMFYSA-N 1 0 366.422 -0.608 20 5 FBBDRO O=C(C[NH+]1CCCC1)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438722812 484092706 /nfs/dbraw/zinc/09/27/06/484092706.db2.gz MBCLXUPOTLXLGH-OAHLLOKOSA-N 1 0 366.422 -0.608 20 5 FBBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C ZINC000439756950 484471763 /nfs/dbraw/zinc/47/17/63/484471763.db2.gz MJBOQRLYXIMGPJ-LLVKDONJSA-N 1 0 354.363 -0.029 20 5 FBBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](O)C[NH+](C)C ZINC000439756951 484471684 /nfs/dbraw/zinc/47/16/84/484471684.db2.gz MJBOQRLYXIMGPJ-NSHDSACASA-N 1 0 354.363 -0.029 20 5 FBBDRO COc1cc(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000440335596 484536108 /nfs/dbraw/zinc/53/61/08/484536108.db2.gz GGGGFBPZUBFXAB-UHFFFAOYSA-N 1 0 372.403 -0.344 20 5 FBBDRO Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000440356293 484535762 /nfs/dbraw/zinc/53/57/62/484535762.db2.gz OHYQWYAHZDXZQC-UHFFFAOYSA-N 1 0 356.404 -0.044 20 5 FBBDRO Cc1cc(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000440365388 484536048 /nfs/dbraw/zinc/53/60/48/484536048.db2.gz OKTXYCFNUSDHIC-UHFFFAOYSA-N 1 0 356.404 -0.044 20 5 FBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 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/nfs/dbraw/zinc/90/91/70/483909170.db2.gz GQAZLGISSPTXHD-YPMHNXCESA-N 1 0 361.424 -0.444 20 5 FBBDRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443457597 484070525 /nfs/dbraw/zinc/07/05/25/484070525.db2.gz ZNDLMCZQGUCHOA-UHFFFAOYSA-N 1 0 356.404 -0.212 20 5 FBBDRO NS(=O)(=O)c1ccc(NCCC(=O)NCC[NH+]2CCC2)c([N+](=O)[O-])c1 ZINC000443970515 484204673 /nfs/dbraw/zinc/20/46/73/484204673.db2.gz JDHJYBZUGLSOHD-UHFFFAOYSA-N 1 0 371.419 -0.134 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444153779 484361231 /nfs/dbraw/zinc/36/12/31/484361231.db2.gz UBEPTIMDWPTNKZ-DZGCQCFKSA-N 1 0 368.415 -0.011 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444153781 484360173 /nfs/dbraw/zinc/36/01/73/484360173.db2.gz UBEPTIMDWPTNKZ-HIFRSBDPSA-N 1 0 368.415 -0.011 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444153782 484360275 /nfs/dbraw/zinc/36/02/75/484360275.db2.gz 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/nfs/dbraw/zinc/88/27/69/483882769.db2.gz LRCAATPBYLJFML-UHFFFAOYSA-N 1 0 350.379 -0.123 20 5 FBBDRO O=C1CO[C@H]2CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]2N1 ZINC000459524869 483919420 /nfs/dbraw/zinc/91/94/20/483919420.db2.gz ZZTVQRWERKNFEK-QEJZJMRPSA-N 1 0 351.359 -0.076 20 5 FBBDRO O=C1CO[C@H]2CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]2N1 ZINC000459524871 483919908 /nfs/dbraw/zinc/91/99/08/483919908.db2.gz ZZTVQRWERKNFEK-SNPRPXQTSA-N 1 0 351.359 -0.076 20 5 FBBDRO CN(C)S(=O)(=O)c1ccc(N2C[C@H](O)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000461875267 484484697 /nfs/dbraw/zinc/48/46/97/484484697.db2.gz AVTYMGZIJIFCBY-KBPBESRZSA-N 1 0 358.420 -0.044 20 5 FBBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000467704185 484845709 /nfs/dbraw/zinc/84/57/09/484845709.db2.gz IBCMWIWMSVGBIK-UHFFFAOYSA-N 1 0 353.379 -0.215 20 5 FBBDRO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000468792153 484849692 /nfs/dbraw/zinc/84/96/92/484849692.db2.gz BVKFSWOAPIKNGY-AWEZNQCLSA-N 1 0 373.387 -0.274 20 5 FBBDRO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000468792241 484849629 /nfs/dbraw/zinc/84/96/29/484849629.db2.gz BVKFSWOAPIKNGY-CQSZACIVSA-N 1 0 373.387 -0.274 20 5 FBBDRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000469641247 484853691 /nfs/dbraw/zinc/85/36/91/484853691.db2.gz JCBUDIGFFQEXKW-UHFFFAOYSA-N 1 0 354.363 -0.028 20 5 FBBDRO CC[N@H+](CCO)CCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000470592977 484858512 /nfs/dbraw/zinc/85/85/12/484858512.db2.gz QWNXXUBTWXSTRX-UHFFFAOYSA-N 1 0 366.374 -0.249 20 5 FBBDRO CN(C)C(=O)CC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000471709024 484863262 /nfs/dbraw/zinc/86/32/62/484863262.db2.gz KJVHYKJVFKQBBU-UHFFFAOYSA-N 1 0 350.379 -0.311 20 5 FBBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000472100588 484864561 /nfs/dbraw/zinc/86/45/61/484864561.db2.gz UGAQREUOMCPQDO-CYBMUJFWSA-N 1 0 351.407 -0.101 20 5 FBBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000472100589 484865175 /nfs/dbraw/zinc/86/51/75/484865175.db2.gz UGAQREUOMCPQDO-ZDUSSCGKSA-N 1 0 351.407 -0.101 20 5 FBBDRO CNS(=O)(=O)CC[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000473986059 484871674 /nfs/dbraw/zinc/87/16/74/484871674.db2.gz BWUTYEDTMACIBK-UHFFFAOYSA-N 1 0 361.376 -0.215 20 5 FBBDRO COC(=O)COc1ccc(C[NH2+]CCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000474359085 484873510 /nfs/dbraw/zinc/87/35/10/484873510.db2.gz VHVPMOJZNRHONA-UHFFFAOYSA-N 1 0 361.376 -0.215 20 5 FBBDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000476388639 483432605 /nfs/dbraw/zinc/43/26/05/483432605.db2.gz LMXDAFVFUAKXKI-UHFFFAOYSA-N 1 0 352.395 -0.046 20 5 FBBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000476393391 483432758 /nfs/dbraw/zinc/43/27/58/483432758.db2.gz YWOPENKLAYVNLK-UHFFFAOYSA-N 1 0 350.379 -0.292 20 5 FBBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000476672143 483441299 /nfs/dbraw/zinc/44/12/99/483441299.db2.gz WLQQSFYMHDGVHY-LLVKDONJSA-N 1 0 350.379 -0.293 20 5 FBBDRO CS(=O)(=O)c1ccc(NCCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c([N+](=O)[O-])c1 ZINC000478007600 483829745 /nfs/dbraw/zinc/82/97/45/483829745.db2.gz ZSJZFVHQVNAXBF-BXKDBHETSA-N 1 0 372.403 -0.751 20 5 FBBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000478034044 483844033 /nfs/dbraw/zinc/84/40/33/483844033.db2.gz OYXOUXDWLXPEOA-NXEZZACHSA-N 1 0 354.388 -0.337 20 5 FBBDRO [NH3+]C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000478710560 483861367 /nfs/dbraw/zinc/86/13/67/483861367.db2.gz APZREFBKJIOFIT-GFCCVEGCSA-N 1 0 372.403 -0.551 20 5 FBBDRO [NH3+]C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000478710561 483861465 /nfs/dbraw/zinc/86/14/65/483861465.db2.gz APZREFBKJIOFIT-LBPRGKRZSA-N 1 0 372.403 -0.551 20 5 FBBDRO [NH3+]C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000478717497 483861839 /nfs/dbraw/zinc/86/18/39/483861839.db2.gz BVQOJQXGUDKSAZ-GFCCVEGCSA-N 1 0 372.403 -0.551 20 5 FBBDRO [NH3+]C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000478717498 483862630 /nfs/dbraw/zinc/86/26/30/483862630.db2.gz BVQOJQXGUDKSAZ-LBPRGKRZSA-N 1 0 372.403 -0.551 20 5 FBBDRO Cc1c(C(=O)N2CCO[C@H](C[NH3+])C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000478717770 483862373 /nfs/dbraw/zinc/86/23/73/483862373.db2.gz FDCACPXBEBGKSU-SECBINFHSA-N 1 0 358.376 -0.650 20 5 FBBDRO Cc1c(C(=O)N2CCO[C@@H](C[NH3+])C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000478717838 483862038 /nfs/dbraw/zinc/86/20/38/483862038.db2.gz FDCACPXBEBGKSU-VIFPVBQESA-N 1 0 358.376 -0.650 20 5 FBBDRO [NH3+]C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000478723200 483861604 /nfs/dbraw/zinc/86/16/04/483861604.db2.gz WISYQXJLUUGBOU-LLVKDONJSA-N 1 0 350.331 -0.494 20 5 FBBDRO [NH3+]C[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000478723205 483861737 /nfs/dbraw/zinc/86/17/37/483861737.db2.gz WISYQXJLUUGBOU-NSHDSACASA-N 1 0 350.331 -0.494 20 5 FBBDRO [NH3+]C[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000478724027 483861637 /nfs/dbraw/zinc/86/16/37/483861637.db2.gz PLYZGFHKHJQHHR-CYBMUJFWSA-N 1 0 351.363 -0.420 20 5 FBBDRO [NH3+]C[C@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000478724028 483862102 /nfs/dbraw/zinc/86/21/02/483862102.db2.gz PLYZGFHKHJQHHR-ZDUSSCGKSA-N 1 0 351.363 -0.420 20 5 FBBDRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000478727513 483861575 /nfs/dbraw/zinc/86/15/75/483861575.db2.gz XWTREZFMFVEYBK-GHMZBOCLSA-N 1 0 352.347 -0.022 20 5 FBBDRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000478727914 483862046 /nfs/dbraw/zinc/86/20/46/483862046.db2.gz XWTREZFMFVEYBK-MNOVXSKESA-N 1 0 352.347 -0.022 20 5 FBBDRO [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000478727915 483861610 /nfs/dbraw/zinc/86/16/10/483861610.db2.gz XWTREZFMFVEYBK-QWRGUYRKSA-N 1 0 352.347 -0.022 20 5 FBBDRO [NH3+]C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000478727916 483862011 /nfs/dbraw/zinc/86/20/11/483862011.db2.gz XWTREZFMFVEYBK-WDEREUQCSA-N 1 0 352.347 -0.022 20 5 FBBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000478804042 483863904 /nfs/dbraw/zinc/86/39/04/483863904.db2.gz FFZDVQRLZSGGCN-GFCCVEGCSA-N 1 0 365.390 -0.096 20 5 FBBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000478804050 483864000 /nfs/dbraw/zinc/86/40/00/483864000.db2.gz FFZDVQRLZSGGCN-LBPRGKRZSA-N 1 0 365.390 -0.096 20 5 FBBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479866719 483872255 /nfs/dbraw/zinc/87/22/55/483872255.db2.gz NSRSYPDWWYLVBF-TXEJJXNPSA-N 1 0 368.415 -0.059 20 5 FBBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479876488 483872606 /nfs/dbraw/zinc/87/26/06/483872606.db2.gz OGMKNCDHFWUMGY-TXEJJXNPSA-N 1 0 368.415 -0.059 20 5 FBBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000481793283 483854269 /nfs/dbraw/zinc/85/42/69/483854269.db2.gz HEWVOIGVPRPKOA-UHFFFAOYSA-N 1 0 364.366 -0.545 20 5 FBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N[C@@H]2CNC(=O)C2)c([N+](=O)[O-])c1 ZINC000485967357 484067714 /nfs/dbraw/zinc/06/77/14/484067714.db2.gz AWTBCANKERNGJM-JTQLQIEISA-N 1 0 371.419 -0.265 20 5 FBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N[C@H]2CNC(=O)C2)c([N+](=O)[O-])c1 ZINC000485967358 484067112 /nfs/dbraw/zinc/06/71/12/484067112.db2.gz AWTBCANKERNGJM-SNVBAGLBSA-N 1 0 371.419 -0.265 20 5 FBBDRO C[NH+](C)CCOCCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000487222352 485053477 /nfs/dbraw/zinc/05/34/77/485053477.db2.gz RPTRRNHESTYRQV-UHFFFAOYSA-N 1 0 364.358 -0.115 20 5 FBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000487976954 484381505 /nfs/dbraw/zinc/38/15/05/484381505.db2.gz IFNNOKQXTBFSTL-UHFFFAOYSA-N 1 0 362.390 -0.167 20 5 FBBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000489913307 484881384 /nfs/dbraw/zinc/88/13/84/484881384.db2.gz HIYCXAJABWOXON-GFCCVEGCSA-N 1 0 367.410 -0.322 20 5 FBBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000489913308 484880822 /nfs/dbraw/zinc/88/08/22/484880822.db2.gz HIYCXAJABWOXON-LBPRGKRZSA-N 1 0 367.410 -0.322 20 5 FBBDRO CCn1cc(S(=O)(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])n1 ZINC000490036877 484881792 /nfs/dbraw/zinc/88/17/92/484881792.db2.gz ZUUHBIKLCYTMMH-LLVKDONJSA-N 1 0 358.424 -0.521 20 5 FBBDRO CCn1cc(S(=O)(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])n1 ZINC000490036885 484882429 /nfs/dbraw/zinc/88/24/29/484882429.db2.gz ZUUHBIKLCYTMMH-NSHDSACASA-N 1 0 358.424 -0.521 20 5 FBBDRO CCNC(=O)CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000490095843 484882226 /nfs/dbraw/zinc/88/22/26/484882226.db2.gz ZWHOHYCLHORHKS-UHFFFAOYSA-N 1 0 373.435 -0.017 20 5 FBBDRO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000493979733 484963367 /nfs/dbraw/zinc/96/33/67/484963367.db2.gz IUADVWAYEHXFAK-GWCFXTLKSA-N 1 0 364.358 -0.021 20 5 FBBDRO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000493979734 484962816 /nfs/dbraw/zinc/96/28/16/484962816.db2.gz IUADVWAYEHXFAK-GXFFZTMASA-N 1 0 364.358 -0.021 20 5 FBBDRO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000493979735 484963481 /nfs/dbraw/zinc/96/34/81/484963481.db2.gz IUADVWAYEHXFAK-MFKMUULPSA-N 1 0 364.358 -0.021 20 5 FBBDRO O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@H]1C[NH2+]C[C@H]1O ZINC000493979736 484962995 /nfs/dbraw/zinc/96/29/95/484962995.db2.gz IUADVWAYEHXFAK-ZWNOBZJWSA-N 1 0 364.358 -0.021 20 5 FBBDRO Cc1nn(CCC(=O)N(C)CC(=O)N2CC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000495640590 484984434 /nfs/dbraw/zinc/98/44/34/484984434.db2.gz QYTTYKADZCYYHF-UHFFFAOYSA-N 1 0 352.395 -0.312 20 5 FBBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000495654361 484984107 /nfs/dbraw/zinc/98/41/07/484984107.db2.gz HDAWZMKTRAEXAG-UHFFFAOYSA-N 1 0 364.358 -0.130 20 5 FBBDRO COC(=O)c1cc(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000495658144 484984498 /nfs/dbraw/zinc/98/44/98/484984498.db2.gz PCSSRJWZTYNVSP-UHFFFAOYSA-N 1 0 364.358 -0.115 20 5 FBBDRO COc1cc(OCC(=O)N(C)CC(=O)N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000495741211 484985744 /nfs/dbraw/zinc/98/57/44/484985744.db2.gz HOLYSWCWKKVBKA-UHFFFAOYSA-N 1 0 366.374 -0.128 20 5 FBBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000495763057 484985262 /nfs/dbraw/zinc/98/52/62/484985262.db2.gz GFRPRMLVCNWAJP-UHFFFAOYSA-N 1 0 373.373 -0.321 20 5 FBBDRO CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])n1 ZINC000497354375 484995265 /nfs/dbraw/zinc/99/52/65/484995265.db2.gz GFBIUPPQHONCTP-JTQLQIEISA-N 1 0 374.423 -0.713 20 5 FBBDRO CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])n1 ZINC000497354376 484995450 /nfs/dbraw/zinc/99/54/50/484995450.db2.gz GFBIUPPQHONCTP-SNVBAGLBSA-N 1 0 374.423 -0.713 20 5 FBBDRO C[NH+](C)CCCN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000497737115 484999363 /nfs/dbraw/zinc/99/93/63/484999363.db2.gz GFFJIVKSUCRSDJ-JTQLQIEISA-N 1 0 359.408 -0.101 20 5 FBBDRO C[NH+](C)CCCN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000497737116 484999344 /nfs/dbraw/zinc/99/93/44/484999344.db2.gz GFFJIVKSUCRSDJ-SNVBAGLBSA-N 1 0 359.408 -0.101 20 5 FBBDRO [NH3+][C@@H](CC(F)F)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000498195139 485001003 /nfs/dbraw/zinc/00/10/03/485001003.db2.gz JWBOCHCDNARJDN-JTQLQIEISA-N 1 0 366.346 -0.028 20 5 FBBDRO [NH3+][C@H](CC(F)F)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000498195140 485001676 /nfs/dbraw/zinc/00/16/76/485001676.db2.gz JWBOCHCDNARJDN-SNVBAGLBSA-N 1 0 366.346 -0.028 20 5 FBBDRO [NH3+][C@@H](CC(F)F)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000498198355 485001843 /nfs/dbraw/zinc/00/18/43/485001843.db2.gz NXRNEKRIJFXFGI-JTQLQIEISA-N 1 0 366.346 -0.028 20 5 FBBDRO [NH3+][C@H](CC(F)F)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000498198356 485001801 /nfs/dbraw/zinc/00/18/01/485001801.db2.gz NXRNEKRIJFXFGI-SNVBAGLBSA-N 1 0 366.346 -0.028 20 5 FBBDRO [NH3+][C@H](CC(F)F)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000498207732 483876495 /nfs/dbraw/zinc/87/64/95/483876495.db2.gz IMSNYNLNAGGAEC-MRVPVSSYSA-N 1 0 366.346 -0.028 20 5 FBBDRO [NH3+][C@@H](CC(F)F)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000498207733 483876419 /nfs/dbraw/zinc/87/64/19/483876419.db2.gz IMSNYNLNAGGAEC-QMMMGPOBSA-N 1 0 366.346 -0.028 20 5 FBBDRO CC[NH+]1CCN([C@H](C)CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000498504788 485003672 /nfs/dbraw/zinc/00/36/72/485003672.db2.gz JWKZPAJAJKYWRV-CYBMUJFWSA-N 1 0 351.407 -0.101 20 5 FBBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000498504789 485002780 /nfs/dbraw/zinc/00/27/80/485002780.db2.gz JWKZPAJAJKYWRV-ZDUSSCGKSA-N 1 0 351.407 -0.101 20 5 FBBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(O)(CN2CCOCC2)CC1 ZINC000501056368 484946033 /nfs/dbraw/zinc/94/60/33/484946033.db2.gz ZDYBRAQFNIFFHX-UHFFFAOYSA-N 1 0 366.418 -0.084 20 5 FBBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000501111066 484945872 /nfs/dbraw/zinc/94/58/72/484945872.db2.gz LNMSHHVYEMFZMY-CYBMUJFWSA-N 1 0 351.411 -0.185 20 5 FBBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000501111067 484946254 /nfs/dbraw/zinc/94/62/54/484946254.db2.gz LNMSHHVYEMFZMY-ZDUSSCGKSA-N 1 0 351.411 -0.185 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCC1 ZINC000502469642 484956148 /nfs/dbraw/zinc/95/61/48/484956148.db2.gz CUNWLJBOAGCTOM-UHFFFAOYSA-N 1 0 371.419 -0.122 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCC1 ZINC000502513412 484956974 /nfs/dbraw/zinc/95/69/74/484956974.db2.gz TZHFWJXXYQQXDH-UHFFFAOYSA-N 1 0 371.419 -0.122 20 5 FBBDRO NC(=O)[C@]1(O)CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000502868122 484959518 /nfs/dbraw/zinc/95/95/18/484959518.db2.gz GWCCWTCQENGGSL-HNNXBMFYSA-N 1 0 350.331 -0.185 20 5 FBBDRO NC(=O)[C@@]1(O)CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000502868124 484959444 /nfs/dbraw/zinc/95/94/44/484959444.db2.gz GWCCWTCQENGGSL-OAHLLOKOSA-N 1 0 350.331 -0.185 20 5 FBBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000502923341 484960609 /nfs/dbraw/zinc/96/06/09/484960609.db2.gz JKNXMKYEAWZDHR-INIZCTEOSA-N 1 0 366.374 -0.251 20 5 FBBDRO C[NH+](C)C[C@](C)(O)CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000502923342 484960002 /nfs/dbraw/zinc/96/00/02/484960002.db2.gz JKNXMKYEAWZDHR-MRXNPFEDSA-N 1 0 366.374 -0.251 20 5 FBBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000504825050 484986937 /nfs/dbraw/zinc/98/69/37/484986937.db2.gz LQFOHCQGZKTBHN-INIZCTEOSA-N 1 0 367.406 -0.177 20 5 FBBDRO C[NH+](C)C[C@](C)(O)CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000504825051 484986704 /nfs/dbraw/zinc/98/67/04/484986704.db2.gz LQFOHCQGZKTBHN-MRXNPFEDSA-N 1 0 367.406 -0.177 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC[NH+]1CCC1 ZINC000506764808 484998864 /nfs/dbraw/zinc/99/88/64/484998864.db2.gz XCUPOJFFWXKWDV-UHFFFAOYSA-N 1 0 371.419 -0.122 20 5 FBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000509059113 485008351 /nfs/dbraw/zinc/00/83/51/485008351.db2.gz YGBDDDCOYCKVSE-UHFFFAOYSA-N 1 0 365.390 -0.248 20 5 FBBDRO C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C[NH+]1CCN(C)CC1 ZINC000509915003 483462931 /nfs/dbraw/zinc/46/29/31/483462931.db2.gz HDUQFYSQNZDPEC-CYBMUJFWSA-N 1 0 351.407 -0.244 20 5 FBBDRO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C[NH+]1CCN(C)CC1 ZINC000509915006 483462980 /nfs/dbraw/zinc/46/29/80/483462980.db2.gz HDUQFYSQNZDPEC-ZDUSSCGKSA-N 1 0 351.407 -0.244 20 5 FBBDRO CS(=O)(=O)NCC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000510223468 483466413 /nfs/dbraw/zinc/46/64/13/483466413.db2.gz PHPAQYSGQPLHCM-CYBMUJFWSA-N 1 0 361.424 -0.587 20 5 FBBDRO CS(=O)(=O)NCC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000510223472 483466168 /nfs/dbraw/zinc/46/61/68/483466168.db2.gz PHPAQYSGQPLHCM-ZDUSSCGKSA-N 1 0 361.424 -0.587 20 5 FBBDRO CN1CCN(C(=O)Cn2cc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cn2)CC1 ZINC000511166693 483579520 /nfs/dbraw/zinc/57/95/20/483579520.db2.gz DPKKMSSUXOZZOM-UHFFFAOYSA-N 1 0 362.350 -0.459 20 5 FBBDRO CCC(CC)(NC(=O)C1CN(CCn2ccc([N+](=O)[O-])n2)C1)C(N)=O ZINC000513261793 483876650 /nfs/dbraw/zinc/87/66/50/483876650.db2.gz PGUODJYDFVERQE-UHFFFAOYSA-N 1 0 352.395 -0.117 20 5 FBBDRO C[NH+]1CCN(CCNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000513336275 483877241 /nfs/dbraw/zinc/87/72/41/483877241.db2.gz PEXQNSPQCYUCSN-UHFFFAOYSA-N 1 0 370.431 -0.025 20 5 FBBDRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cn1 ZINC000513441732 483877647 /nfs/dbraw/zinc/87/76/47/483877647.db2.gz AFWKGEISOHOSBM-UHFFFAOYSA-N 1 0 350.339 -0.556 20 5 FBBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513465758 483877364 /nfs/dbraw/zinc/87/73/64/483877364.db2.gz VKALUPSGFBOZRZ-GFCCVEGCSA-N 1 0 370.431 -0.026 20 5 FBBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513465759 483877380 /nfs/dbraw/zinc/87/73/80/483877380.db2.gz VKALUPSGFBOZRZ-LBPRGKRZSA-N 1 0 370.431 -0.026 20 5 FBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000513671251 483879385 /nfs/dbraw/zinc/87/93/85/483879385.db2.gz HJPOJMXXDROVRZ-AWEZNQCLSA-N 1 0 357.388 -0.205 20 5 FBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000513671252 483879401 /nfs/dbraw/zinc/87/94/01/483879401.db2.gz HJPOJMXXDROVRZ-CQSZACIVSA-N 1 0 357.388 -0.205 20 5 FBBDRO COc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000514784344 483891913 /nfs/dbraw/zinc/89/19/13/483891913.db2.gz GTCAMDFKCHZKBU-GFCCVEGCSA-N 1 0 365.390 -0.679 20 5 FBBDRO COc1ccc(CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000514784345 483892000 /nfs/dbraw/zinc/89/20/00/483892000.db2.gz GTCAMDFKCHZKBU-LBPRGKRZSA-N 1 0 365.390 -0.679 20 5 FBBDRO C[NH+](C)[C@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000514797053 483891841 /nfs/dbraw/zinc/89/18/41/483891841.db2.gz PMXVTAZBLRCCNV-KBPBESRZSA-N 1 0 365.390 -0.473 20 5 FBBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000514825285 483892178 /nfs/dbraw/zinc/89/21/78/483892178.db2.gz QFZWULFICRBURT-GFCCVEGCSA-N 1 0 369.403 -0.280 20 5 FBBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC000514825286 483892042 /nfs/dbraw/zinc/89/20/42/483892042.db2.gz QFZWULFICRBURT-LBPRGKRZSA-N 1 0 369.403 -0.280 20 5 FBBDRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000514926005 483918234 /nfs/dbraw/zinc/91/82/34/483918234.db2.gz KYBXUOXSIPEZED-UHFFFAOYSA-N 1 0 361.402 -0.499 20 5 FBBDRO [NH3+]CCOCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000514938425 483940330 /nfs/dbraw/zinc/94/03/30/483940330.db2.gz CNLDIOWNQYAMTE-UHFFFAOYSA-N 1 0 358.420 -0.124 20 5 FBBDRO CC[NH2+]CCCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000515048561 484061343 /nfs/dbraw/zinc/06/13/43/484061343.db2.gz JNKIIPDHHSYVOR-UHFFFAOYSA-N 1 0 364.406 -0.246 20 5 FBBDRO Cc1nn(CCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000515312808 484083742 /nfs/dbraw/zinc/08/37/42/484083742.db2.gz QNMVYZXTUILEPH-NEPJUHHUSA-N 1 0 350.379 -0.431 20 5 FBBDRO Cc1nn(CCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000515312809 484084148 /nfs/dbraw/zinc/08/41/48/484084148.db2.gz QNMVYZXTUILEPH-NWDGAFQWSA-N 1 0 350.379 -0.431 20 5 FBBDRO Cc1nn(CCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000515312810 484083494 /nfs/dbraw/zinc/08/34/94/484083494.db2.gz QNMVYZXTUILEPH-RYUDHWBXSA-N 1 0 350.379 -0.431 20 5 FBBDRO Cc1nn(CCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000515312811 484083625 /nfs/dbraw/zinc/08/36/25/484083625.db2.gz QNMVYZXTUILEPH-VXGBXAGGSA-N 1 0 350.379 -0.431 20 5 FBBDRO O=C1[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CC(F)(F)F ZINC000515415499 484092323 /nfs/dbraw/zinc/09/23/23/484092323.db2.gz SBJRDFUAHNBZHZ-NXEZZACHSA-N 1 0 351.285 -0.095 20 5 FBBDRO O=C1[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CC(F)(F)F ZINC000515415506 484092021 /nfs/dbraw/zinc/09/20/21/484092021.db2.gz SBJRDFUAHNBZHZ-UWVGGRQHSA-N 1 0 351.285 -0.095 20 5 FBBDRO O=C1[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CC(F)(F)F ZINC000515415507 484092628 /nfs/dbraw/zinc/09/26/28/484092628.db2.gz SBJRDFUAHNBZHZ-VHSXEESVSA-N 1 0 351.285 -0.095 20 5 FBBDRO O=C1[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CC(F)(F)F ZINC000515415508 484092229 /nfs/dbraw/zinc/09/22/29/484092229.db2.gz SBJRDFUAHNBZHZ-ZJUUUORDSA-N 1 0 351.285 -0.095 20 5 FBBDRO CCOC(=O)c1cc(C(=O)NCC(=O)N2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000515875281 484132525 /nfs/dbraw/zinc/13/25/25/484132525.db2.gz WYGMCMRLRNDXIW-UHFFFAOYSA-N 1 0 364.358 -0.067 20 5 FBBDRO Cc1cc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)c(C)cc1[N+](=O)[O-] ZINC000516091850 484136740 /nfs/dbraw/zinc/13/67/40/484136740.db2.gz VSZXGHIZFBHYCV-UHFFFAOYSA-N 1 0 356.404 -0.078 20 5 FBBDRO COc1cc(C(=O)NCC(=O)N2CC[NH2+]CC2)cc([N+](=O)[O-])c1OC ZINC000516562768 484146130 /nfs/dbraw/zinc/14/61/30/484146130.db2.gz WQMFIIGWNAVATC-UHFFFAOYSA-N 1 0 352.347 -0.226 20 5 FBBDRO C[NH+]1CCN(C[C@@H](O)COc2ccc([N+](=O)[O-])cc2-n2cnnn2)CC1 ZINC000516654590 484148116 /nfs/dbraw/zinc/14/81/16/484148116.db2.gz HWYMEPXJCIPZMG-CYBMUJFWSA-N 1 0 363.378 -0.442 20 5 FBBDRO C[NH+]1CCN(C[C@H](O)COc2ccc([N+](=O)[O-])cc2-n2cnnn2)CC1 ZINC000516654591 484147528 /nfs/dbraw/zinc/14/75/28/484147528.db2.gz HWYMEPXJCIPZMG-ZDUSSCGKSA-N 1 0 363.378 -0.442 20 5 FBBDRO CN1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)[C@H](C[NH3+])C1 ZINC000516768414 484149493 /nfs/dbraw/zinc/14/94/93/484149493.db2.gz SFMQXGZBCZJQPC-GFCCVEGCSA-N 1 0 356.404 -0.287 20 5 FBBDRO CN1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)[C@@H](C[NH3+])C1 ZINC000516768417 484149021 /nfs/dbraw/zinc/14/90/21/484149021.db2.gz SFMQXGZBCZJQPC-LBPRGKRZSA-N 1 0 356.404 -0.287 20 5 FBBDRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000516862850 484153160 /nfs/dbraw/zinc/15/31/60/484153160.db2.gz MFHUPPZBVXAFES-GFCCVEGCSA-N 1 0 366.378 -0.394 20 5 FBBDRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000516862851 484152350 /nfs/dbraw/zinc/15/23/50/484152350.db2.gz MFHUPPZBVXAFES-LBPRGKRZSA-N 1 0 366.378 -0.394 20 5 FBBDRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000516917145 484152904 /nfs/dbraw/zinc/15/29/04/484152904.db2.gz BPCMZTCOUCUKEW-UHFFFAOYSA-N 1 0 364.406 -0.246 20 5 FBBDRO CN(CCC[NH3+])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000517019178 484158419 /nfs/dbraw/zinc/15/84/19/484158419.db2.gz CEELPNLBOMQQLZ-UHFFFAOYSA-N 1 0 359.408 -0.137 20 5 FBBDRO [NH3+]CC1(O)CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000517029427 484158727 /nfs/dbraw/zinc/15/87/27/484158727.db2.gz NVTGRPKSMGDWIO-UHFFFAOYSA-N 1 0 364.358 -0.368 20 5 FBBDRO COCC[NH2+]CCNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000517102917 484161565 /nfs/dbraw/zinc/16/15/65/484161565.db2.gz SCOOWEDZTRMLDO-UHFFFAOYSA-N 1 0 350.375 -0.168 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCNS(=O)(=O)c2cccnc2)c1 ZINC000517128259 484161712 /nfs/dbraw/zinc/16/17/12/484161712.db2.gz ZZNKRZCNGXMGFI-GFCCVEGCSA-N 1 0 370.391 -0.885 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCNS(=O)(=O)c2cccnc2)c1 ZINC000517128260 484161359 /nfs/dbraw/zinc/16/13/59/484161359.db2.gz ZZNKRZCNGXMGFI-LBPRGKRZSA-N 1 0 370.391 -0.885 20 5 FBBDRO C[NH2+]CCCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000517226512 484165920 /nfs/dbraw/zinc/16/59/20/484165920.db2.gz XQBKRAQEKAZBHD-UHFFFAOYSA-N 1 0 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COCC[N@H+](C)C[C@H](O)COc1ccc([N+](=O)[O-])cc1-n1cnnn1 ZINC000518398045 484394492 /nfs/dbraw/zinc/39/44/92/484394492.db2.gz YMWUIOWLWMSVGK-LBPRGKRZSA-N 1 0 352.351 -0.112 20 5 FBBDRO O=C(CN1CC[C@H](CO)[C@H](O)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000518435027 484411963 /nfs/dbraw/zinc/41/19/63/484411963.db2.gz VQCFUTMGRNQNEU-BXKDBHETSA-N 1 0 353.331 -0.063 20 5 FBBDRO O=C(CN1CC[C@@H](CO)[C@@H](O)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000518435028 484411692 /nfs/dbraw/zinc/41/16/92/484411692.db2.gz VQCFUTMGRNQNEU-CABZTGNLSA-N 1 0 353.331 -0.063 20 5 FBBDRO O=C(CN1CC[C@H](CO)[C@@H](O)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000518435030 484411188 /nfs/dbraw/zinc/41/11/88/484411188.db2.gz VQCFUTMGRNQNEU-SKDRFNHKSA-N 1 0 353.331 -0.063 20 5 FBBDRO C[NH+]1CCN(c2ccc(CNC(=O)Cn3cnc([N+](=O)[O-])n3)cn2)CC1 ZINC000518759031 483437425 /nfs/dbraw/zinc/43/74/25/483437425.db2.gz VRAHNXXXCMSHNQ-UHFFFAOYSA-N 1 0 360.378 -0.351 20 5 FBBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000519047285 483512290 /nfs/dbraw/zinc/51/22/90/483512290.db2.gz KFIZGFQEZMXVFY-UHFFFAOYSA-N 1 0 365.390 -0.148 20 5 FBBDRO O=C(CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[NH2+]CC1 ZINC000519644235 484307150 /nfs/dbraw/zinc/30/71/50/484307150.db2.gz WQJRKIJDULPLAI-UHFFFAOYSA-N 1 0 350.331 -0.472 20 5 FBBDRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000520229313 484393048 /nfs/dbraw/zinc/39/30/48/484393048.db2.gz KVICRMPMXGHUHB-JTQLQIEISA-N 1 0 372.403 -0.452 20 5 FBBDRO CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000520229314 484392502 /nfs/dbraw/zinc/39/25/02/484392502.db2.gz KVICRMPMXGHUHB-SNVBAGLBSA-N 1 0 372.403 -0.452 20 5 FBBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000520401520 484444591 /nfs/dbraw/zinc/44/45/91/484444591.db2.gz NOQWCHDXALEADH-GWCFXTLKSA-N 1 0 356.404 -0.013 20 5 FBBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000520401521 484444484 /nfs/dbraw/zinc/44/44/84/484444484.db2.gz 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FBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]C1 ZINC000520583568 484579909 /nfs/dbraw/zinc/57/99/09/484579909.db2.gz WLLLCQZRWIVMIK-NSHDSACASA-N 1 0 356.404 -0.011 20 5 FBBDRO CN1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C[NH3+])C1 ZINC000520588326 484579009 /nfs/dbraw/zinc/57/90/09/484579009.db2.gz LRPUJZKTPMNGLS-JTQLQIEISA-N 1 0 372.403 -0.371 20 5 FBBDRO CN1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](C[NH3+])C1 ZINC000520588327 484579465 /nfs/dbraw/zinc/57/94/65/484579465.db2.gz LRPUJZKTPMNGLS-SNVBAGLBSA-N 1 0 372.403 -0.371 20 5 FBBDRO Nc1c(C(=O)NCC(=O)NCCN2CCOCC2)cc(F)cc1[N+](=O)[O-] ZINC000521073386 484632729 /nfs/dbraw/zinc/63/27/29/484632729.db2.gz REFZHCKWSVSJDL-UHFFFAOYSA-N 1 0 369.353 -0.506 20 5 FBBDRO O=C(CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[NH2+]CC1 ZINC000521227033 484667031 /nfs/dbraw/zinc/66/70/31/484667031.db2.gz XAFMMLJPLPNALJ-UHFFFAOYSA-N 1 0 358.358 -0.058 20 5 FBBDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 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/nfs/dbraw/zinc/48/29/41/484482941.db2.gz CHYYIFVVRIPXEH-LBPRGKRZSA-N 1 0 366.374 -0.148 20 5 FBBDRO O=C(CNC(=O)Cn1cc([N+](=O)[O-])cn1)NCC[NH+]1CCCCCC1 ZINC000554220700 484534236 /nfs/dbraw/zinc/53/42/36/484534236.db2.gz CENVSIUMLDBIFU-UHFFFAOYSA-N 1 0 352.395 -0.100 20 5 FBBDRO Cc1c(CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000554343343 484535051 /nfs/dbraw/zinc/53/50/51/484535051.db2.gz TWDNNUVVVBIFBD-AWEZNQCLSA-N 1 0 363.418 -0.119 20 5 FBBDRO Cc1c(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000554343349 484535177 /nfs/dbraw/zinc/53/51/77/484535177.db2.gz TWDNNUVVVBIFBD-CQSZACIVSA-N 1 0 363.418 -0.119 20 5 FBBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000555319075 484845267 /nfs/dbraw/zinc/84/52/67/484845267.db2.gz JFLSQNQCUQSMNG-UHFFFAOYSA-N 1 0 354.367 -0.820 20 5 FBBDRO COCCN(CC[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000555558812 484859630 /nfs/dbraw/zinc/85/96/30/484859630.db2.gz WFOMBSNUAUZVAX-UHFFFAOYSA-N 1 0 374.419 -0.108 20 5 FBBDRO Cc1nn(CCC(=O)N[C@H](C)C(=O)NCC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000556903288 483663453 /nfs/dbraw/zinc/66/34/53/483663453.db2.gz JMQDSNBFRHKRTL-LLVKDONJSA-N 1 0 354.411 -0.019 20 5 FBBDRO Cc1nn(CCC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000556903289 484986757 /nfs/dbraw/zinc/98/67/57/484986757.db2.gz JMQDSNBFRHKRTL-NSHDSACASA-N 1 0 354.411 -0.019 20 5 FBBDRO C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000556904154 484987109 /nfs/dbraw/zinc/98/71/09/484987109.db2.gz RQSZJHOAJUCYCT-LLVKDONJSA-N 1 0 365.390 -0.493 20 5 FBBDRO C[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000556904155 484987139 /nfs/dbraw/zinc/98/71/39/484987139.db2.gz RQSZJHOAJUCYCT-NSHDSACASA-N 1 0 365.390 -0.493 20 5 FBBDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CC1=O ZINC000556925881 484988777 /nfs/dbraw/zinc/98/87/77/484988777.db2.gz KERVINCRDMQHPL-GFCCVEGCSA-N 1 0 367.406 -0.158 20 5 FBBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CC1=O ZINC000556925882 484988858 /nfs/dbraw/zinc/98/88/58/484988858.db2.gz KERVINCRDMQHPL-LBPRGKRZSA-N 1 0 367.406 -0.158 20 5 FBBDRO C[NH+](C)[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000556973688 484989514 /nfs/dbraw/zinc/98/95/14/484989514.db2.gz IGTITFYKVLIWGQ-STQMWFEESA-N 1 0 364.358 -0.547 20 5 FBBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000556974457 484988185 /nfs/dbraw/zinc/98/81/85/484988185.db2.gz MHZLZILHCIWBBO-SRVKXCTJSA-N 1 0 354.411 -0.039 20 5 FBBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000556974472 484989949 /nfs/dbraw/zinc/98/99/49/484989949.db2.gz MHZLZILHCIWBBO-WOPDTQHZSA-N 1 0 354.411 -0.039 20 5 FBBDRO CC(C)([NH3+])CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000557305992 485008165 /nfs/dbraw/zinc/00/81/65/485008165.db2.gz HEXBJRYBIAHVOE-UHFFFAOYSA-N 1 0 350.379 -0.508 20 5 FBBDRO [NH3+]CC(=O)NCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000558174933 483407186 /nfs/dbraw/zinc/40/71/86/483407186.db2.gz ZFRGLQBFHODSES-UHFFFAOYSA-N 1 0 355.376 -0.984 20 5 FBBDRO O=C(CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[NH2+]CC1 ZINC000559130032 483427750 /nfs/dbraw/zinc/42/77/50/483427750.db2.gz DNTRJXXBUARZNH-UHFFFAOYSA-N 1 0 358.358 -0.058 20 5 FBBDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CC1=O ZINC000560589192 483605902 /nfs/dbraw/zinc/60/59/02/483605902.db2.gz GSFQFYYIHMSJET-GFCCVEGCSA-N 1 0 365.390 -0.101 20 5 FBBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CC1=O ZINC000560589204 483605197 /nfs/dbraw/zinc/60/51/97/483605197.db2.gz GSFQFYYIHMSJET-LBPRGKRZSA-N 1 0 365.390 -0.101 20 5 FBBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000561230567 484489494 /nfs/dbraw/zinc/48/94/94/484489494.db2.gz BPYQYCKRLLNGGA-AWEZNQCLSA-N 1 0 366.374 -0.334 20 5 FBBDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000561230568 484484529 /nfs/dbraw/zinc/48/45/29/484484529.db2.gz BPYQYCKRLLNGGA-CQSZACIVSA-N 1 0 366.374 -0.334 20 5 FBBDRO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000561263688 483693588 /nfs/dbraw/zinc/69/35/88/483693588.db2.gz UWAWXIGTNPMKQC-CYBMUJFWSA-N 1 0 362.390 -0.508 20 5 FBBDRO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000561263689 483693201 /nfs/dbraw/zinc/69/32/01/483693201.db2.gz UWAWXIGTNPMKQC-ZDUSSCGKSA-N 1 0 362.390 -0.508 20 5 FBBDRO O=C(CNC(=O)Cn1ccc([N+](=O)[O-])n1)NCC[NH+]1CCCCCC1 ZINC000562184407 483876117 /nfs/dbraw/zinc/87/61/17/483876117.db2.gz VCEAEPGBYGHPEW-UHFFFAOYSA-N 1 0 352.395 -0.100 20 5 FBBDRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000562820006 484022843 /nfs/dbraw/zinc/02/28/43/484022843.db2.gz AXKYJIYJNIAQRE-CYBMUJFWSA-N 1 0 350.379 -0.190 20 5 FBBDRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000562820007 484022737 /nfs/dbraw/zinc/02/27/37/484022737.db2.gz AXKYJIYJNIAQRE-ZDUSSCGKSA-N 1 0 350.379 -0.190 20 5 FBBDRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000562827603 484031825 /nfs/dbraw/zinc/03/18/25/484031825.db2.gz ILYVBNDNUGHVQK-LBPRGKRZSA-N 1 0 362.390 -0.493 20 5 FBBDRO [NH3+][C@H](CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000562831718 484032851 /nfs/dbraw/zinc/03/28/51/484032851.db2.gz JIXQWVHGCYLFHA-CYBMUJFWSA-N 1 0 362.390 -0.508 20 5 FBBDRO [NH3+][C@@H](CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000562831721 484032687 /nfs/dbraw/zinc/03/26/87/484032687.db2.gz JIXQWVHGCYLFHA-ZDUSSCGKSA-N 1 0 362.390 -0.508 20 5 FBBDRO O=C(CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[NH2+]CC1 ZINC000562973636 484072199 /nfs/dbraw/zinc/07/21/99/484072199.db2.gz TUQSNGGURLVCOY-UHFFFAOYSA-N 1 0 350.331 -0.472 20 5 FBBDRO C[C@@H](C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000562987457 484377860 /nfs/dbraw/zinc/37/78/60/484377860.db2.gz RFDWARBSFBFBIV-JTQLQIEISA-N 1 0 365.433 -0.104 20 5 FBBDRO C[C@H](C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000562987459 484071272 /nfs/dbraw/zinc/07/12/72/484071272.db2.gz RFDWARBSFBFBIV-SNVBAGLBSA-N 1 0 365.433 -0.104 20 5 FBBDRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000562987572 484071548 /nfs/dbraw/zinc/07/15/48/484071548.db2.gz YNJHVWCGXCVCCW-GFCCVEGCSA-N 1 0 355.376 -0.411 20 5 FBBDRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000562987577 484072235 /nfs/dbraw/zinc/07/22/35/484072235.db2.gz YNJHVWCGXCVCCW-LBPRGKRZSA-N 1 0 355.376 -0.411 20 5 FBBDRO C[N@H+](C[C@@H](O)CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000562987614 484072366 /nfs/dbraw/zinc/07/23/66/484072366.db2.gz TUEBDQCXBRWTHI-AWEZNQCLSA-N 1 0 372.447 -0.082 20 5 FBBDRO C[N@H+](C[C@H](O)CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000562987615 484071770 /nfs/dbraw/zinc/07/17/70/484071770.db2.gz TUEBDQCXBRWTHI-CQSZACIVSA-N 1 0 372.447 -0.082 20 5 FBBDRO C[C@@H](C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000562995422 484071164 /nfs/dbraw/zinc/07/11/64/484071164.db2.gz JXZJPBSWVDDLLO-JTQLQIEISA-N 1 0 365.433 -0.104 20 5 FBBDRO C[C@H](C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000562995423 484072009 /nfs/dbraw/zinc/07/20/09/484072009.db2.gz JXZJPBSWVDDLLO-SNVBAGLBSA-N 1 0 365.433 -0.104 20 5 FBBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@H]1C[NH2+]CCCO1 ZINC000563117026 484343467 /nfs/dbraw/zinc/34/34/67/484343467.db2.gz RYIGLTSRQQGQIQ-GFCCVEGCSA-N 1 0 364.358 -0.185 20 5 FBBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@@H]1C[NH2+]CCCO1 ZINC000563117038 484343554 /nfs/dbraw/zinc/34/35/54/484343554.db2.gz RYIGLTSRQQGQIQ-LBPRGKRZSA-N 1 0 364.358 -0.185 20 5 FBBDRO O=C(CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000563120179 483862240 /nfs/dbraw/zinc/86/22/40/483862240.db2.gz VPXVXYMJRNVYNC-UHFFFAOYSA-N 1 0 356.404 -0.512 20 5 FBBDRO CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)N1CC[NH2+]CC1 ZINC000563153046 484396901 /nfs/dbraw/zinc/39/69/01/484396901.db2.gz QKWUHTORFIBSJQ-UHFFFAOYSA-N 1 0 370.431 -0.268 20 5 FBBDRO O=C(C1C[NH2+]C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000563155259 484399584 /nfs/dbraw/zinc/39/95/84/484399584.db2.gz CFFATVJBHQOSDI-UHFFFAOYSA-N 1 0 354.388 -0.353 20 5 FBBDRO CNS(=O)(=O)c1ccc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000563431696 484095460 /nfs/dbraw/zinc/09/54/60/484095460.db2.gz MKSARPBCJILXDC-GXSJLCMTSA-N 1 0 369.403 -0.749 20 5 FBBDRO CNS(=O)(=O)c1ccc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000563431707 484095682 /nfs/dbraw/zinc/09/56/82/484095682.db2.gz MKSARPBCJILXDC-KOLCDFICSA-N 1 0 369.403 -0.749 20 5 FBBDRO CNS(=O)(=O)c1ccc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000563431708 484094843 /nfs/dbraw/zinc/09/48/43/484094843.db2.gz MKSARPBCJILXDC-MWLCHTKSSA-N 1 0 369.403 -0.749 20 5 FBBDRO CNS(=O)(=O)c1ccc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000563431709 484095502 /nfs/dbraw/zinc/09/55/02/484095502.db2.gz MKSARPBCJILXDC-ONGXEEELSA-N 1 0 369.403 -0.749 20 5 FBBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563442753 484404358 /nfs/dbraw/zinc/40/43/58/484404358.db2.gz SYRUGDJBIPWXAR-GHMZBOCLSA-N 1 0 370.387 -0.464 20 5 FBBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563442754 484105379 /nfs/dbraw/zinc/10/53/79/484105379.db2.gz SYRUGDJBIPWXAR-MNOVXSKESA-N 1 0 370.387 -0.464 20 5 FBBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563442755 484105706 /nfs/dbraw/zinc/10/57/06/484105706.db2.gz SYRUGDJBIPWXAR-QWRGUYRKSA-N 1 0 370.387 -0.464 20 5 FBBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563442756 484105634 /nfs/dbraw/zinc/10/56/34/484105634.db2.gz SYRUGDJBIPWXAR-WDEREUQCSA-N 1 0 370.387 -0.464 20 5 FBBDRO C[NH+](C)[C@H]1CN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1O ZINC000563480761 484123665 /nfs/dbraw/zinc/12/36/65/484123665.db2.gz HFZCROATRGSSCU-RYUDHWBXSA-N 1 0 368.415 -0.081 20 5 FBBDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000563522843 484134048 /nfs/dbraw/zinc/13/40/48/484134048.db2.gz IPYCGVHZFMGTPJ-CYBMUJFWSA-N 1 0 352.347 -0.724 20 5 FBBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000563522844 484133976 /nfs/dbraw/zinc/13/39/76/484133976.db2.gz IPYCGVHZFMGTPJ-ZDUSSCGKSA-N 1 0 352.347 -0.724 20 5 FBBDRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000563532126 484140399 /nfs/dbraw/zinc/14/03/99/484140399.db2.gz HYKMBVLDQMTYMP-AAEUAGOBSA-N 1 0 362.390 -0.129 20 5 FBBDRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000563532127 484139849 /nfs/dbraw/zinc/13/98/49/484139849.db2.gz HYKMBVLDQMTYMP-DGCLKSJQSA-N 1 0 362.390 -0.129 20 5 FBBDRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000563532128 484406654 /nfs/dbraw/zinc/40/66/54/484406654.db2.gz HYKMBVLDQMTYMP-WCQYABFASA-N 1 0 362.390 -0.129 20 5 FBBDRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000563532129 484406798 /nfs/dbraw/zinc/40/67/98/484406798.db2.gz HYKMBVLDQMTYMP-YPMHNXCESA-N 1 0 362.390 -0.129 20 5 FBBDRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000563660848 484406693 /nfs/dbraw/zinc/40/66/93/484406693.db2.gz KXDVGDYLWZWSDT-LLVKDONJSA-N 1 0 350.379 -0.508 20 5 FBBDRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000563660869 484407175 /nfs/dbraw/zinc/40/71/75/484407175.db2.gz KXDVGDYLWZWSDT-NSHDSACASA-N 1 0 350.379 -0.508 20 5 FBBDRO COc1cc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000563885599 484083335 /nfs/dbraw/zinc/08/33/35/484083335.db2.gz DGGBPAVEAHSWRG-UHFFFAOYSA-N 1 0 358.376 -0.687 20 5 FBBDRO O=C(CNC(=O)Cn1cnc([N+](=O)[O-])n1)NCC[NH+]1CCCCCC1 ZINC000564114253 484408415 /nfs/dbraw/zinc/40/84/15/484408415.db2.gz ZNVYXEQMBQNWMS-UHFFFAOYSA-N 1 0 353.383 -0.705 20 5 FBBDRO O=C(CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC[NH2+]CC1 ZINC000564202143 484409357 /nfs/dbraw/zinc/40/93/57/484409357.db2.gz KKVLKYPHWVGRST-UHFFFAOYSA-N 1 0 359.346 -0.663 20 5 FBBDRO CN1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000564330056 484409247 /nfs/dbraw/zinc/40/92/47/484409247.db2.gz DAXTVXNDRYQXCK-AWEZNQCLSA-N 1 0 364.406 -0.505 20 5 FBBDRO CN1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000564330057 484409065 /nfs/dbraw/zinc/40/90/65/484409065.db2.gz DAXTVXNDRYQXCK-CQSZACIVSA-N 1 0 364.406 -0.505 20 5 FBBDRO O=C(CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000564722085 484411650 /nfs/dbraw/zinc/41/16/50/484411650.db2.gz OYPSSTDRPVDSLB-UHFFFAOYSA-N 1 0 359.346 -0.663 20 5 FBBDRO O=C1CNC(=O)N1CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564723748 484411147 /nfs/dbraw/zinc/41/11/47/484411147.db2.gz QTJUEUWOUQPLLC-UHFFFAOYSA-N 1 0 356.360 -0.490 20 5 FBBDRO O=C(NC1C[NH2+]C1)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000564787618 484411340 /nfs/dbraw/zinc/41/13/40/484411340.db2.gz BWUOFBRCJGBTRL-UHFFFAOYSA-N 1 0 367.387 -0.971 20 5 FBBDRO CO[C@H](C[NH3+])C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000564834333 484411671 /nfs/dbraw/zinc/41/16/71/484411671.db2.gz VICCQYJXFVZUCV-GFCCVEGCSA-N 1 0 360.392 -0.500 20 5 FBBDRO CO[C@@H](C[NH3+])C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000564834334 484411715 /nfs/dbraw/zinc/41/17/15/484411715.db2.gz VICCQYJXFVZUCV-LBPRGKRZSA-N 1 0 360.392 -0.500 20 5 FBBDRO C[C@@H](C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000564846385 484411063 /nfs/dbraw/zinc/41/10/63/484411063.db2.gz MQZZXIQEIDESGK-JTQLQIEISA-N 1 0 365.433 -0.104 20 5 FBBDRO C[C@H](C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000564846386 484410950 /nfs/dbraw/zinc/41/09/50/484410950.db2.gz MQZZXIQEIDESGK-SNVBAGLBSA-N 1 0 365.433 -0.104 20 5 FBBDRO C[N@H+](C[C@H](O)CNCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000564853756 484411110 /nfs/dbraw/zinc/41/11/10/484411110.db2.gz IBSOCGSFBVOHRX-CYBMUJFWSA-N 1 0 372.447 -0.082 20 5 FBBDRO C[N@H+](C[C@@H](O)CNCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000564853758 484410899 /nfs/dbraw/zinc/41/08/99/484410899.db2.gz IBSOCGSFBVOHRX-ZDUSSCGKSA-N 1 0 372.447 -0.082 20 5 FBBDRO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000564981489 484412988 /nfs/dbraw/zinc/41/29/88/484412988.db2.gz ZLUAQEHEHBEOSE-HNNXBMFYSA-N 1 0 372.385 -0.008 20 5 FBBDRO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000564981497 484412044 /nfs/dbraw/zinc/41/20/44/484412044.db2.gz ZLUAQEHEHBEOSE-OAHLLOKOSA-N 1 0 372.385 -0.008 20 5 FBBDRO CN1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000564988005 484412998 /nfs/dbraw/zinc/41/29/98/484412998.db2.gz PHULISANAHXGEE-LLVKDONJSA-N 1 0 367.431 -0.113 20 5 FBBDRO CN1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000564988006 484412237 /nfs/dbraw/zinc/41/22/37/484412237.db2.gz PHULISANAHXGEE-NSHDSACASA-N 1 0 367.431 -0.113 20 5 FBBDRO COC(=O)c1cc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000565238299 484414062 /nfs/dbraw/zinc/41/40/62/484414062.db2.gz GHOWBPUFFSTRST-CHWSQXEVSA-N 1 0 362.342 -0.235 20 5 FBBDRO COC(=O)c1cc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000565238300 484413810 /nfs/dbraw/zinc/41/38/10/484413810.db2.gz GHOWBPUFFSTRST-OLZOCXBDSA-N 1 0 362.342 -0.235 20 5 FBBDRO COC(=O)c1cc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000565238301 484414083 /nfs/dbraw/zinc/41/40/83/484414083.db2.gz GHOWBPUFFSTRST-QWHCGFSZSA-N 1 0 362.342 -0.235 20 5 FBBDRO COC(=O)c1cc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000565238302 484413699 /nfs/dbraw/zinc/41/36/99/484413699.db2.gz GHOWBPUFFSTRST-STQMWFEESA-N 1 0 362.342 -0.235 20 5 FBBDRO COc1cc(OCC(=O)NCC(=O)N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000565299393 484415233 /nfs/dbraw/zinc/41/52/33/484415233.db2.gz SKANAHWFRWYBQO-UHFFFAOYSA-N 1 0 352.347 -0.470 20 5 FBBDRO Cc1cc(C(=O)NCC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000565567137 484416976 /nfs/dbraw/zinc/41/69/76/484416976.db2.gz PRMFKMHJIGKBCP-KBPBESRZSA-N 1 0 350.375 -0.234 20 5 FBBDRO NC(=O)c1ccnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000565631442 484417385 /nfs/dbraw/zinc/41/73/85/484417385.db2.gz OKXDFBXHUKYNDL-UHFFFAOYSA-N 1 0 362.390 -0.167 20 5 FBBDRO O=C(C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000566090486 483463496 /nfs/dbraw/zinc/46/34/96/483463496.db2.gz GBVUQPRDNKVXRN-BETUJISGSA-N 1 0 374.401 -0.684 20 5 FBBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000566091788 483463414 /nfs/dbraw/zinc/46/34/14/483463414.db2.gz WVYXNNYYKHUHHF-HNNXBMFYSA-N 1 0 363.418 -0.303 20 5 FBBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000566091797 483463676 /nfs/dbraw/zinc/46/36/76/483463676.db2.gz WVYXNNYYKHUHHF-OAHLLOKOSA-N 1 0 363.418 -0.303 20 5 FBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)cc1 ZINC000566109342 483472294 /nfs/dbraw/zinc/47/22/94/483472294.db2.gz PSDXBTXVYWYWSF-CYBMUJFWSA-N 1 0 369.403 -0.280 20 5 FBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)cc1 ZINC000566109343 483472012 /nfs/dbraw/zinc/47/20/12/483472012.db2.gz PSDXBTXVYWYWSF-ZDUSSCGKSA-N 1 0 369.403 -0.280 20 5 FBBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000566112024 483473938 /nfs/dbraw/zinc/47/39/38/483473938.db2.gz QEODVDYXPNMJMK-NEPJUHHUSA-N 1 0 360.388 -0.262 20 5 FBBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000566112025 483473472 /nfs/dbraw/zinc/47/34/72/483473472.db2.gz QEODVDYXPNMJMK-NWDGAFQWSA-N 1 0 360.388 -0.262 20 5 FBBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000566112026 483473308 /nfs/dbraw/zinc/47/33/08/483473308.db2.gz QEODVDYXPNMJMK-RYUDHWBXSA-N 1 0 360.388 -0.262 20 5 FBBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000566112027 483473699 /nfs/dbraw/zinc/47/36/99/483473699.db2.gz QEODVDYXPNMJMK-VXGBXAGGSA-N 1 0 360.388 -0.262 20 5 FBBDRO NS(=O)(=O)c1ccccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566128601 483479563 /nfs/dbraw/zinc/47/95/63/483479563.db2.gz FOVFIYLPTMAQDQ-GFCCVEGCSA-N 1 0 355.376 -0.411 20 5 FBBDRO NS(=O)(=O)c1ccccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566128607 483479123 /nfs/dbraw/zinc/47/91/23/483479123.db2.gz FOVFIYLPTMAQDQ-LBPRGKRZSA-N 1 0 355.376 -0.411 20 5 FBBDRO CN1CCN(C(=O)CN2c3cc([N+](=O)[O-])ccc3OCC2=O)[C@H](C[NH3+])C1 ZINC000566200242 483479359 /nfs/dbraw/zinc/47/93/59/483479359.db2.gz KQAGJVARFFMSGF-GFCCVEGCSA-N 1 0 363.374 -0.579 20 5 FBBDRO CN1CCN(C(=O)CN2c3cc([N+](=O)[O-])ccc3OCC2=O)[C@@H](C[NH3+])C1 ZINC000566200243 483478569 /nfs/dbraw/zinc/47/85/69/483478569.db2.gz KQAGJVARFFMSGF-LBPRGKRZSA-N 1 0 363.374 -0.579 20 5 FBBDRO Cc1cc(C)c(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000566215619 483480408 /nfs/dbraw/zinc/48/04/08/483480408.db2.gz NIDGWEPCSNLEHP-UHFFFAOYSA-N 1 0 356.404 -0.078 20 5 FBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](CO)CN2CCOCC2)cc1 ZINC000566232127 483480856 /nfs/dbraw/zinc/48/08/56/483480856.db2.gz YVNVXUKYDBDRQT-CYBMUJFWSA-N 1 0 373.431 -0.349 20 5 FBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](CO)CN2CCOCC2)cc1 ZINC000566232138 483480627 /nfs/dbraw/zinc/48/06/27/483480627.db2.gz YVNVXUKYDBDRQT-ZDUSSCGKSA-N 1 0 373.431 -0.349 20 5 FBBDRO C[NH2+]C[C@](C)(O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000566351876 483489076 /nfs/dbraw/zinc/48/90/76/483489076.db2.gz IPDCGFCZPQZKBL-HNNXBMFYSA-N 1 0 372.447 -0.129 20 5 FBBDRO C[NH2+]C[C@@](C)(O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000566351877 483488671 /nfs/dbraw/zinc/48/86/71/483488671.db2.gz IPDCGFCZPQZKBL-OAHLLOKOSA-N 1 0 372.447 -0.129 20 5 FBBDRO CNc1nccc(C(=O)NC2CCN(CC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000566437011 484208402 /nfs/dbraw/zinc/20/84/02/484208402.db2.gz JQAOQXDSFFXSRW-UHFFFAOYSA-N 1 0 364.406 0.314 20 5 FBBDRO CNc1nccc(C(=O)NCCN2CCN(C(C)=O)CC2)c1[N+](=O)[O-] ZINC000566439877 484209131 /nfs/dbraw/zinc/20/91/31/484209131.db2.gz QIMDOVIIHRBJOT-UHFFFAOYSA-N 1 0 350.379 -0.075 20 5 FBBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566495054 483512647 /nfs/dbraw/zinc/51/26/47/483512647.db2.gz SNCAZIXFDHAXAQ-NEPJUHHUSA-N 1 0 363.374 -0.214 20 5 FBBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566495056 483512116 /nfs/dbraw/zinc/51/21/16/483512116.db2.gz SNCAZIXFDHAXAQ-NWDGAFQWSA-N 1 0 363.374 -0.214 20 5 FBBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566495057 483511742 /nfs/dbraw/zinc/51/17/42/483511742.db2.gz SNCAZIXFDHAXAQ-RYUDHWBXSA-N 1 0 363.374 -0.214 20 5 FBBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566495058 483512741 /nfs/dbraw/zinc/51/27/41/483512741.db2.gz SNCAZIXFDHAXAQ-VXGBXAGGSA-N 1 0 363.374 -0.214 20 5 FBBDRO [NH3+][C@@H]1C[C@@H]2CN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CCN2C1=O ZINC000566497417 483512554 /nfs/dbraw/zinc/51/25/54/483512554.db2.gz ZOUFWBHYSGUPOM-KFWWJZLASA-N 1 0 359.386 -0.056 20 5 FBBDRO [NH3+][C@@H]1C[C@@H]2CN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CCN2C1=O ZINC000566497421 483511836 /nfs/dbraw/zinc/51/18/36/483511836.db2.gz ZOUFWBHYSGUPOM-RBSFLKMASA-N 1 0 359.386 -0.056 20 5 FBBDRO [NH3+][C@@H]1C[C@H]2CN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CCN2C1=O ZINC000566497424 483512234 /nfs/dbraw/zinc/51/22/34/483512234.db2.gz ZOUFWBHYSGUPOM-RRFJBIMHSA-N 1 0 359.386 -0.056 20 5 FBBDRO [NH3+][C@@H]1C[C@H]2CN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CCN2C1=O ZINC000566497427 483512570 /nfs/dbraw/zinc/51/25/70/483512570.db2.gz ZOUFWBHYSGUPOM-ZNMIVQPWSA-N 1 0 359.386 -0.056 20 5 FBBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000566668531 483553308 /nfs/dbraw/zinc/55/33/08/483553308.db2.gz IKVNCLKBFAVJSN-AWEZNQCLSA-N 1 0 366.374 -0.416 20 5 FBBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000566668535 483553469 /nfs/dbraw/zinc/55/34/69/483553469.db2.gz IKVNCLKBFAVJSN-CQSZACIVSA-N 1 0 366.374 -0.416 20 5 FBBDRO COC(=O)c1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000566682367 483555762 /nfs/dbraw/zinc/55/57/62/483555762.db2.gz QRECXQKQDRISOE-JTQLQIEISA-N 1 0 372.403 -0.355 20 5 FBBDRO COC(=O)c1ccc(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000566682372 483556584 /nfs/dbraw/zinc/55/65/84/483556584.db2.gz QRECXQKQDRISOE-SNVBAGLBSA-N 1 0 372.403 -0.355 20 5 FBBDRO CO[C@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000566734954 483563536 /nfs/dbraw/zinc/56/35/36/483563536.db2.gz VCHYGPJAZRRDPJ-CYBMUJFWSA-N 1 0 372.403 -0.599 20 5 FBBDRO CO[C@@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000566734959 483562580 /nfs/dbraw/zinc/56/25/80/483562580.db2.gz VCHYGPJAZRRDPJ-ZDUSSCGKSA-N 1 0 372.403 -0.599 20 5 FBBDRO C[NH2+]C[C@](C)(O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000566918399 483648687 /nfs/dbraw/zinc/64/86/87/483648687.db2.gz GQHIVFCGHBAXHB-HNNXBMFYSA-N 1 0 372.447 -0.129 20 5 FBBDRO C[NH2+]C[C@@](C)(O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000566918403 483648025 /nfs/dbraw/zinc/64/80/25/483648025.db2.gz GQHIVFCGHBAXHB-OAHLLOKOSA-N 1 0 372.447 -0.129 20 5 FBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000567047600 483699145 /nfs/dbraw/zinc/69/91/45/483699145.db2.gz MGXUWYPYKWPXMP-SECBINFHSA-N 1 0 350.301 -0.106 20 5 FBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000567047601 483699438 /nfs/dbraw/zinc/69/94/38/483699438.db2.gz MGXUWYPYKWPXMP-VIFPVBQESA-N 1 0 350.301 -0.106 20 5 FBBDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)C1=O ZINC000567306262 483749296 /nfs/dbraw/zinc/74/92/96/483749296.db2.gz RYBITCXWXPAPBG-CYBMUJFWSA-N 1 0 350.379 -0.397 20 5 FBBDRO CN1CC[C@H]([NH+]2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)C1=O ZINC000567306263 483749163 /nfs/dbraw/zinc/74/91/63/483749163.db2.gz RYBITCXWXPAPBG-ZDUSSCGKSA-N 1 0 350.379 -0.397 20 5 FBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)CN2CCOCC2)cc1 ZINC000567379450 483754767 /nfs/dbraw/zinc/75/47/67/483754767.db2.gz GQILGGMIFWCQOI-AWEZNQCLSA-N 1 0 373.431 -0.349 20 5 FBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)CN2CCOCC2)cc1 ZINC000567379451 483754888 /nfs/dbraw/zinc/75/48/88/483754888.db2.gz GQILGGMIFWCQOI-CQSZACIVSA-N 1 0 373.431 -0.349 20 5 FBBDRO Cc1cc(N2CC[C@@H]([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2=O)n(C)n1 ZINC000567464003 483762221 /nfs/dbraw/zinc/76/22/21/483762221.db2.gz BCTVITXBUAEENL-CHWSQXEVSA-N 1 0 363.378 -0.411 20 5 FBBDRO Cc1cc(N2CC[C@H]([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2=O)n(C)n1 ZINC000567464004 483762139 /nfs/dbraw/zinc/76/21/39/483762139.db2.gz BCTVITXBUAEENL-OLZOCXBDSA-N 1 0 363.378 -0.411 20 5 FBBDRO Cc1cc(N2CC[C@@H]([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2=O)n(C)n1 ZINC000567464005 483762355 /nfs/dbraw/zinc/76/23/55/483762355.db2.gz BCTVITXBUAEENL-QWHCGFSZSA-N 1 0 363.378 -0.411 20 5 FBBDRO Cc1cc(N2CC[C@H]([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2=O)n(C)n1 ZINC000567464006 483762377 /nfs/dbraw/zinc/76/23/77/483762377.db2.gz BCTVITXBUAEENL-STQMWFEESA-N 1 0 363.378 -0.411 20 5 FBBDRO Cc1c(C(=O)NCC(=O)N2CC[NH2+]CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000567667395 483784078 /nfs/dbraw/zinc/78/40/78/483784078.db2.gz AEBYGIWOZMVBBR-UHFFFAOYSA-N 1 0 373.373 -0.354 20 5 FBBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000567672716 483784095 /nfs/dbraw/zinc/78/40/95/483784095.db2.gz GMDLTQLZOGXRAP-CJNGLKHVSA-N 1 0 364.406 -0.056 20 5 FBBDRO CCCNC(=O)CN1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000567677442 483786406 /nfs/dbraw/zinc/78/64/06/483786406.db2.gz WNFFDFDUCORUBN-HNNXBMFYSA-N 1 0 368.438 -0.268 20 5 FBBDRO CCCNC(=O)CN1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000567677443 483786313 /nfs/dbraw/zinc/78/63/13/483786313.db2.gz WNFFDFDUCORUBN-OAHLLOKOSA-N 1 0 368.438 -0.268 20 5 FBBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CS(=O)(=O)CCO2)c1 ZINC000567686161 483787855 /nfs/dbraw/zinc/78/78/55/483787855.db2.gz YZQWCWCQGDBNIE-GXTWGEPZSA-N 1 0 360.388 -0.262 20 5 FBBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CS(=O)(=O)CCO2)c1 ZINC000567686162 483787843 /nfs/dbraw/zinc/78/78/43/483787843.db2.gz YZQWCWCQGDBNIE-JSGCOSHPSA-N 1 0 360.388 -0.262 20 5 FBBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CS(=O)(=O)CCO2)c1 ZINC000567686163 483788024 /nfs/dbraw/zinc/78/80/24/483788024.db2.gz YZQWCWCQGDBNIE-OCCSQVGLSA-N 1 0 360.388 -0.262 20 5 FBBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CS(=O)(=O)CCO2)c1 ZINC000567686164 483787684 /nfs/dbraw/zinc/78/76/84/483787684.db2.gz YZQWCWCQGDBNIE-TZMCWYRMSA-N 1 0 360.388 -0.262 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCS(=O)(=O)NCC2CCC2)c1 ZINC000567692523 483787440 /nfs/dbraw/zinc/78/74/40/483787440.db2.gz WEZOGJLBBSDPNV-CYBMUJFWSA-N 1 0 361.424 -0.539 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCS(=O)(=O)NCC2CCC2)c1 ZINC000567692524 483787782 /nfs/dbraw/zinc/78/77/82/483787782.db2.gz WEZOGJLBBSDPNV-ZDUSSCGKSA-N 1 0 361.424 -0.539 20 5 FBBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1=O ZINC000567721756 483792138 /nfs/dbraw/zinc/79/21/38/483792138.db2.gz RIHYGNFNHKZJDH-JTQLQIEISA-N 1 0 354.367 -0.773 20 5 FBBDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1=O ZINC000567721757 483792331 /nfs/dbraw/zinc/79/23/31/483792331.db2.gz RIHYGNFNHKZJDH-SNVBAGLBSA-N 1 0 354.367 -0.773 20 5 FBBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)c1 ZINC000567850609 483814186 /nfs/dbraw/zinc/81/41/86/483814186.db2.gz QLGXBHGVXCMDEQ-UHFFFAOYSA-N 1 0 356.404 -0.078 20 5 FBBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)c1C ZINC000567851099 483813729 /nfs/dbraw/zinc/81/37/29/483813729.db2.gz KFKQIWOPFBILES-UHFFFAOYSA-N 1 0 356.404 -0.078 20 5 FBBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000567884566 483816300 /nfs/dbraw/zinc/81/63/00/483816300.db2.gz CCOMMYPQLWJLLQ-UHFFFAOYSA-N 1 0 350.331 -0.173 20 5 FBBDRO COCC[NH2+]C1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000568094770 483833409 /nfs/dbraw/zinc/83/34/09/483833409.db2.gz MWFSRDSVAGYJKG-UHFFFAOYSA-N 1 0 368.394 -0.866 20 5 FBBDRO O=C(CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)N1CC[NH2+]CC1 ZINC000568372619 483845736 /nfs/dbraw/zinc/84/57/36/483845736.db2.gz BPHJZVRYTNJEEE-UHFFFAOYSA-N 1 0 363.374 -0.069 20 5 FBBDRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000568506277 483846181 /nfs/dbraw/zinc/84/61/81/483846181.db2.gz VPBQDSUMIRGNIV-GFCCVEGCSA-N 1 0 351.363 -0.081 20 5 FBBDRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000568506278 483846167 /nfs/dbraw/zinc/84/61/67/483846167.db2.gz VPBQDSUMIRGNIV-LBPRGKRZSA-N 1 0 351.363 -0.081 20 5 FBBDRO Cc1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1S(N)(=O)=O ZINC000568620390 483850847 /nfs/dbraw/zinc/85/08/47/483850847.db2.gz KUDSCHUQDGBSLD-CYBMUJFWSA-N 1 0 369.403 -0.102 20 5 FBBDRO Cc1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1S(N)(=O)=O ZINC000568620398 483850777 /nfs/dbraw/zinc/85/07/77/483850777.db2.gz KUDSCHUQDGBSLD-ZDUSSCGKSA-N 1 0 369.403 -0.102 20 5 FBBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000568741856 483857052 /nfs/dbraw/zinc/85/70/52/483857052.db2.gz MXMCRTSGUJDCIB-LLVKDONJSA-N 1 0 367.431 -0.194 20 5 FBBDRO CN1CC[NH2+]C[C@H]1CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000568741857 483856757 /nfs/dbraw/zinc/85/67/57/483856757.db2.gz MXMCRTSGUJDCIB-NSHDSACASA-N 1 0 367.431 -0.194 20 5 FBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)Cn2ccnn2)cc1 ZINC000568762048 483858280 /nfs/dbraw/zinc/85/82/80/483858280.db2.gz SSTZOIOUAXEUBE-GFCCVEGCSA-N 1 0 355.376 -0.389 20 5 FBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)Cn2ccnn2)cc1 ZINC000568762049 483858182 /nfs/dbraw/zinc/85/81/82/483858182.db2.gz SSTZOIOUAXEUBE-LBPRGKRZSA-N 1 0 355.376 -0.389 20 5 FBBDRO COc1cc(CCNC(=O)C(=O)NC2C[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000568850036 483862672 /nfs/dbraw/zinc/86/26/72/483862672.db2.gz CNVABRZHAYUQRL-UHFFFAOYSA-N 1 0 352.347 -0.641 20 5 FBBDRO [NH3+]C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000568866552 483862702 /nfs/dbraw/zinc/86/27/02/483862702.db2.gz UKESZFSGGFMIFG-JTQLQIEISA-N 1 0 358.376 -0.941 20 5 FBBDRO [NH3+]C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000568866561 483862804 /nfs/dbraw/zinc/86/28/04/483862804.db2.gz UKESZFSGGFMIFG-SNVBAGLBSA-N 1 0 358.376 -0.941 20 5 FBBDRO O=C(CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000568983740 483864337 /nfs/dbraw/zinc/86/43/37/483864337.db2.gz BNAYYVFAFUBRLF-UHFFFAOYSA-N 1 0 362.795 -0.042 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 ZINC000568993427 483864361 /nfs/dbraw/zinc/86/43/61/483864361.db2.gz LTTUZRXAQHLRPI-DGCLKSJQSA-N 1 0 373.435 -0.302 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 ZINC000568993433 483864217 /nfs/dbraw/zinc/86/42/17/483864217.db2.gz LTTUZRXAQHLRPI-YPMHNXCESA-N 1 0 373.435 -0.302 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2nnnn2-c2ccccc2)c1 ZINC000569214185 483869059 /nfs/dbraw/zinc/86/90/59/483869059.db2.gz DMARJNJEAMJRLV-AWEZNQCLSA-N 1 0 358.362 -0.040 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2nnnn2-c2ccccc2)c1 ZINC000569214186 483869399 /nfs/dbraw/zinc/86/93/99/483869399.db2.gz DMARJNJEAMJRLV-CQSZACIVSA-N 1 0 358.362 -0.040 20 5 FBBDRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569228483 483869144 /nfs/dbraw/zinc/86/91/44/483869144.db2.gz FHPXBFUZVZQIBX-CABCVRRESA-N 1 0 368.438 -0.316 20 5 FBBDRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569228506 483869200 /nfs/dbraw/zinc/86/92/00/483869200.db2.gz FHPXBFUZVZQIBX-GJZGRUSLSA-N 1 0 368.438 -0.316 20 5 FBBDRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569228507 483869039 /nfs/dbraw/zinc/86/90/39/483869039.db2.gz FHPXBFUZVZQIBX-HUUCEWRRSA-N 1 0 368.438 -0.316 20 5 FBBDRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569228509 483869620 /nfs/dbraw/zinc/86/96/20/483869620.db2.gz FHPXBFUZVZQIBX-LSDHHAIUSA-N 1 0 368.438 -0.316 20 5 FBBDRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000569244099 568318888 /nfs/dbraw/zinc/31/88/88/568318888.db2.gz PVSZHGLZZKWOHD-JTQLQIEISA-N 1 0 372.403 -0.437 20 5 FBBDRO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000569244104 568318867 /nfs/dbraw/zinc/31/88/67/568318867.db2.gz PVSZHGLZZKWOHD-SNVBAGLBSA-N 1 0 372.403 -0.437 20 5 FBBDRO COc1ccc(CNC(=O)NCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000569439280 483878316 /nfs/dbraw/zinc/87/83/16/483878316.db2.gz HJDUOVCXKNOOPI-UHFFFAOYSA-N 1 0 351.363 -0.166 20 5 FBBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000569474105 483792973 /nfs/dbraw/zinc/79/29/73/483792973.db2.gz ULRMHRYPKGTGMF-GFCCVEGCSA-N 1 0 362.390 -0.541 20 5 FBBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000569474106 483878426 /nfs/dbraw/zinc/87/84/26/483878426.db2.gz ULRMHRYPKGTGMF-LBPRGKRZSA-N 1 0 362.390 -0.541 20 5 FBBDRO CN(CC(=O)NC[C@H]1C[NH2+]CCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000569475077 483878215 /nfs/dbraw/zinc/87/82/15/483878215.db2.gz ZYZVRYHANBEYCQ-GFCCVEGCSA-N 1 0 372.403 -0.680 20 5 FBBDRO CN(CC(=O)NC[C@@H]1C[NH2+]CCO1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000569475078 483878277 /nfs/dbraw/zinc/87/82/77/483878277.db2.gz ZYZVRYHANBEYCQ-LBPRGKRZSA-N 1 0 372.403 -0.680 20 5 FBBDRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000569483197 483794163 /nfs/dbraw/zinc/79/41/63/483794163.db2.gz JLSPBDMAAKZRFT-UHFFFAOYSA-N 1 0 370.431 -0.169 20 5 FBBDRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000569501468 483878682 /nfs/dbraw/zinc/87/86/82/483878682.db2.gz DYPRYHLHMAYXSX-KBPBESRZSA-N 1 0 368.415 -0.289 20 5 FBBDRO [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000569501470 483878754 /nfs/dbraw/zinc/87/87/54/483878754.db2.gz DYPRYHLHMAYXSX-KGLIPLIRSA-N 1 0 368.415 -0.289 20 5 FBBDRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000569501471 483795265 /nfs/dbraw/zinc/79/52/65/483795265.db2.gz DYPRYHLHMAYXSX-UONOGXRCSA-N 1 0 368.415 -0.289 20 5 FBBDRO [NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000569501474 483794909 /nfs/dbraw/zinc/79/49/09/483794909.db2.gz DYPRYHLHMAYXSX-ZIAGYGMSSA-N 1 0 368.415 -0.289 20 5 FBBDRO C[NH+](C)[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000569590167 483878932 /nfs/dbraw/zinc/87/89/32/483878932.db2.gz RGQKAWPYFGRYKG-RYUDHWBXSA-N 1 0 372.403 -0.994 20 5 FBBDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccnc(N)c3[N+](=O)[O-])CC2)C1=O ZINC000569623515 484519391 /nfs/dbraw/zinc/51/93/91/484519391.db2.gz MYSIWNRZAPHMIK-GFCCVEGCSA-N 1 0 362.390 -0.003 20 5 FBBDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccnc(N)c3[N+](=O)[O-])CC2)C1=O ZINC000569623517 484519936 /nfs/dbraw/zinc/51/99/36/484519936.db2.gz MYSIWNRZAPHMIK-LBPRGKRZSA-N 1 0 362.390 -0.003 20 5 FBBDRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000569719204 483879138 /nfs/dbraw/zinc/87/91/38/483879138.db2.gz AHPLAQQWXWMAKX-VIFPVBQESA-N 1 0 370.387 -0.169 20 5 FBBDRO COc1ccc(C(=O)NCC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000569740188 483879296 /nfs/dbraw/zinc/87/92/96/483879296.db2.gz NSWIEMXLMQUTGH-STQMWFEESA-N 1 0 366.374 -0.534 20 5 FBBDRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569920392 483879863 /nfs/dbraw/zinc/87/98/63/483879863.db2.gz GHKIEOUKCGMSAE-AAEUAGOBSA-N 1 0 361.424 -0.444 20 5 FBBDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569920393 483879790 /nfs/dbraw/zinc/87/97/90/483879790.db2.gz GHKIEOUKCGMSAE-DGCLKSJQSA-N 1 0 361.424 -0.444 20 5 FBBDRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569920536 483879816 /nfs/dbraw/zinc/87/98/16/483879816.db2.gz GHKIEOUKCGMSAE-WCQYABFASA-N 1 0 361.424 -0.444 20 5 FBBDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569920538 483879802 /nfs/dbraw/zinc/87/98/02/483879802.db2.gz GHKIEOUKCGMSAE-YPMHNXCESA-N 1 0 361.424 -0.444 20 5 FBBDRO Cc1c(C(=O)NC[C@@H]2C[NH2+]CCN2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000569928648 483879798 /nfs/dbraw/zinc/87/97/98/483879798.db2.gz CVEOEFVNORYDAT-JTQLQIEISA-N 1 0 371.419 -0.816 20 5 FBBDRO Cc1c(C(=O)NC[C@H]2C[NH2+]CCN2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000569928649 483879733 /nfs/dbraw/zinc/87/97/33/483879733.db2.gz CVEOEFVNORYDAT-SNVBAGLBSA-N 1 0 371.419 -0.816 20 5 FBBDRO COc1cc(OCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000569988082 483880212 /nfs/dbraw/zinc/88/02/12/483880212.db2.gz DXZHGXLCXBUHJS-CMPLNLGQSA-N 1 0 364.358 -0.247 20 5 FBBDRO COc1cc(OCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000569988084 483880242 /nfs/dbraw/zinc/88/02/42/483880242.db2.gz DXZHGXLCXBUHJS-JQWIXIFHSA-N 1 0 364.358 -0.247 20 5 FBBDRO COc1cc(OCC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000569988086 483880207 /nfs/dbraw/zinc/88/02/07/483880207.db2.gz DXZHGXLCXBUHJS-PWSUYJOCSA-N 1 0 364.358 -0.247 20 5 FBBDRO COc1cc(OCC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000569988123 483880016 /nfs/dbraw/zinc/88/00/16/483880016.db2.gz DXZHGXLCXBUHJS-ZYHUDNBSSA-N 1 0 364.358 -0.247 20 5 FBBDRO Cc1cc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000569988703 483880279 /nfs/dbraw/zinc/88/02/79/483880279.db2.gz PBTNQRXCOXGVDC-CMPLNLGQSA-N 1 0 354.388 -0.164 20 5 FBBDRO Cc1cc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000569988723 483880077 /nfs/dbraw/zinc/88/00/77/483880077.db2.gz PBTNQRXCOXGVDC-JQWIXIFHSA-N 1 0 354.388 -0.164 20 5 FBBDRO Cc1cc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000569988724 483880178 /nfs/dbraw/zinc/88/01/78/483880178.db2.gz PBTNQRXCOXGVDC-PWSUYJOCSA-N 1 0 354.388 -0.164 20 5 FBBDRO Cc1cc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000569988725 483880043 /nfs/dbraw/zinc/88/00/43/483880043.db2.gz PBTNQRXCOXGVDC-ZYHUDNBSSA-N 1 0 354.388 -0.164 20 5 FBBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000570068140 484161986 /nfs/dbraw/zinc/16/19/86/484161986.db2.gz OMIHNFVGACURSN-CYBMUJFWSA-N 1 0 352.347 -0.806 20 5 FBBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000570068141 483880480 /nfs/dbraw/zinc/88/04/80/483880480.db2.gz OMIHNFVGACURSN-ZDUSSCGKSA-N 1 0 352.347 -0.806 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(N3CCOCC3)CCOCC2)c1 ZINC000570202290 483880440 /nfs/dbraw/zinc/88/04/40/483880440.db2.gz FRJBAMHHMDXOEA-HNNXBMFYSA-N 1 0 369.422 -0.377 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(N3CCOCC3)CCOCC2)c1 ZINC000570202293 483880404 /nfs/dbraw/zinc/88/04/04/483880404.db2.gz FRJBAMHHMDXOEA-OAHLLOKOSA-N 1 0 369.422 -0.377 20 5 FBBDRO O=c1n(CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nc2n1CCCC2 ZINC000570323615 483881030 /nfs/dbraw/zinc/88/10/30/483881030.db2.gz YLDXDBXESROHFD-CYBMUJFWSA-N 1 0 365.394 -0.473 20 5 FBBDRO O=c1n(CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)nc2n1CCCC2 ZINC000570323618 483880922 /nfs/dbraw/zinc/88/09/22/483880922.db2.gz YLDXDBXESROHFD-ZDUSSCGKSA-N 1 0 365.394 -0.473 20 5 FBBDRO CCc1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000570449617 484194107 /nfs/dbraw/zinc/19/41/07/484194107.db2.gz OOBWUMBALMZCRK-UHFFFAOYSA-N 1 0 356.404 -0.133 20 5 FBBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000570529545 484203022 /nfs/dbraw/zinc/20/30/22/484203022.db2.gz VWNGSLMYCSMNEN-NEPJUHHUSA-N 1 0 361.358 -0.388 20 5 FBBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000570529547 484203306 /nfs/dbraw/zinc/20/33/06/484203306.db2.gz VWNGSLMYCSMNEN-NWDGAFQWSA-N 1 0 361.358 -0.388 20 5 FBBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000570529549 483881058 /nfs/dbraw/zinc/88/10/58/483881058.db2.gz VWNGSLMYCSMNEN-RYUDHWBXSA-N 1 0 361.358 -0.388 20 5 FBBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000570529551 483881113 /nfs/dbraw/zinc/88/11/13/483881113.db2.gz VWNGSLMYCSMNEN-VXGBXAGGSA-N 1 0 361.358 -0.388 20 5 FBBDRO CCn1cc(S(=O)(=O)NCCC[N@H+](C)CCN(C)C)c([N+](=O)[O-])n1 ZINC000570557117 483881480 /nfs/dbraw/zinc/88/14/80/483881480.db2.gz IPTXUOFXXOREEV-UHFFFAOYSA-N 1 0 362.456 -0.027 20 5 FBBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCC(=O)N1CC[NH2+]CC1 ZINC000570617747 483881459 /nfs/dbraw/zinc/88/14/59/483881459.db2.gz PZIYLWWJELFMDY-UHFFFAOYSA-N 1 0 351.363 -0.295 20 5 FBBDRO NS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000570626045 484216771 /nfs/dbraw/zinc/21/67/71/484216771.db2.gz XKBWJAADQQPSPL-GFCCVEGCSA-N 1 0 355.376 -0.411 20 5 FBBDRO NS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000570626046 483881365 /nfs/dbraw/zinc/88/13/65/483881365.db2.gz XKBWJAADQQPSPL-LBPRGKRZSA-N 1 0 355.376 -0.411 20 5 FBBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)CN2CCOCC2)c1 ZINC000570682745 484228130 /nfs/dbraw/zinc/22/81/30/484228130.db2.gz ONZBGRDOGWMPJM-CABCVRRESA-N 1 0 355.391 -0.383 20 5 FBBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)CN2CCOCC2)c1 ZINC000570682746 483881450 /nfs/dbraw/zinc/88/14/50/483881450.db2.gz ONZBGRDOGWMPJM-HUUCEWRRSA-N 1 0 355.391 -0.383 20 5 FBBDRO [NH3+]CC[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)F ZINC000570685118 484227886 /nfs/dbraw/zinc/22/78/86/484227886.db2.gz PWWLCGDTGOZQSZ-MRVPVSSYSA-N 1 0 366.346 -0.028 20 5 FBBDRO [NH3+]CC[C@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)F ZINC000570685127 484228647 /nfs/dbraw/zinc/22/86/47/484228647.db2.gz PWWLCGDTGOZQSZ-QMMMGPOBSA-N 1 0 366.346 -0.028 20 5 FBBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)CCN2C1=O ZINC000570698943 484230708 /nfs/dbraw/zinc/23/07/08/484230708.db2.gz LXJQYHOWWPYEJZ-CHWSQXEVSA-N 1 0 371.357 -0.441 20 5 FBBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)CCN2C1=O ZINC000570698944 484230620 /nfs/dbraw/zinc/23/06/20/484230620.db2.gz LXJQYHOWWPYEJZ-OLZOCXBDSA-N 1 0 371.357 -0.441 20 5 FBBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)CCN2C1=O ZINC000570698945 484230531 /nfs/dbraw/zinc/23/05/31/484230531.db2.gz LXJQYHOWWPYEJZ-QWHCGFSZSA-N 1 0 371.357 -0.441 20 5 FBBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)CCN2C1=O ZINC000570698946 484230901 /nfs/dbraw/zinc/23/09/01/484230901.db2.gz LXJQYHOWWPYEJZ-STQMWFEESA-N 1 0 371.357 -0.441 20 5 FBBDRO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000570738361 484235626 /nfs/dbraw/zinc/23/56/26/484235626.db2.gz CGFWFCKMTVVQSS-UHFFFAOYSA-N 1 0 367.410 -0.365 20 5 FBBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000570826635 484248049 /nfs/dbraw/zinc/24/80/49/484248049.db2.gz DCDZQQWUNGJJAH-GHMZBOCLSA-N 1 0 354.388 -0.164 20 5 FBBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000570826636 483882899 /nfs/dbraw/zinc/88/28/99/483882899.db2.gz DCDZQQWUNGJJAH-MNOVXSKESA-N 1 0 354.388 -0.164 20 5 FBBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000570826637 484247348 /nfs/dbraw/zinc/24/73/48/484247348.db2.gz DCDZQQWUNGJJAH-QWRGUYRKSA-N 1 0 354.388 -0.164 20 5 FBBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000570826638 484247594 /nfs/dbraw/zinc/24/75/94/484247594.db2.gz DCDZQQWUNGJJAH-WDEREUQCSA-N 1 0 354.388 -0.164 20 5 FBBDRO C[NH+](C)[C@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000570873293 484254085 /nfs/dbraw/zinc/25/40/85/484254085.db2.gz BVWXVKBPAJEBDD-KBPBESRZSA-N 1 0 350.375 -0.152 20 5 FBBDRO O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000571058780 483891522 /nfs/dbraw/zinc/89/15/22/483891522.db2.gz BSCJKCNBFXAQJP-ZWNOBZJWSA-N 1 0 366.355 -0.332 20 5 FBBDRO Nc1nccc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000571059223 484560955 /nfs/dbraw/zinc/56/09/55/484560955.db2.gz OEXKBAVLLIXPOV-UHFFFAOYSA-N 1 0 365.390 -0.129 20 5 FBBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000571423063 483892454 /nfs/dbraw/zinc/89/24/54/483892454.db2.gz LMZKOOCULHQQBZ-GFCCVEGCSA-N 1 0 364.406 -0.390 20 5 FBBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000571423064 483892334 /nfs/dbraw/zinc/89/23/34/483892334.db2.gz LMZKOOCULHQQBZ-LBPRGKRZSA-N 1 0 364.406 -0.390 20 5 FBBDRO [NH3+]CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000571799300 483893568 /nfs/dbraw/zinc/89/35/68/483893568.db2.gz HUPMHOICMIAFLI-JTQLQIEISA-N 1 0 357.392 -0.535 20 5 FBBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000571799301 483893788 /nfs/dbraw/zinc/89/37/88/483893788.db2.gz HUPMHOICMIAFLI-SNVBAGLBSA-N 1 0 357.392 -0.535 20 5 FBBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000571821315 483893761 /nfs/dbraw/zinc/89/37/61/483893761.db2.gz MOSTUVMAXUHLCU-GHMZBOCLSA-N 1 0 354.388 -0.164 20 5 FBBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000571821316 483893905 /nfs/dbraw/zinc/89/39/05/483893905.db2.gz MOSTUVMAXUHLCU-MNOVXSKESA-N 1 0 354.388 -0.164 20 5 FBBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000571821317 483894272 /nfs/dbraw/zinc/89/42/72/483894272.db2.gz MOSTUVMAXUHLCU-QWRGUYRKSA-N 1 0 354.388 -0.164 20 5 FBBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000571821318 483894294 /nfs/dbraw/zinc/89/42/94/483894294.db2.gz MOSTUVMAXUHLCU-WDEREUQCSA-N 1 0 354.388 -0.164 20 5 FBBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000572119301 483898967 /nfs/dbraw/zinc/89/89/67/483898967.db2.gz GVMKBEAVFDAMEY-LLVKDONJSA-N 1 0 363.374 -0.021 20 5 FBBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000572119307 483899112 /nfs/dbraw/zinc/89/91/12/483899112.db2.gz GVMKBEAVFDAMEY-NSHDSACASA-N 1 0 363.374 -0.021 20 5 FBBDRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000572482271 484034802 /nfs/dbraw/zinc/03/48/02/484034802.db2.gz JJVDGKQMDFSBCJ-UHFFFAOYSA-N 1 0 370.431 -0.169 20 5 FBBDRO CN(CCC[NH3+])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000572705069 483829350 /nfs/dbraw/zinc/82/93/50/483829350.db2.gz HNROBIYGXXPEFZ-UHFFFAOYSA-N 1 0 359.408 -0.137 20 5 FBBDRO COc1cc(CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000572977081 483927900 /nfs/dbraw/zinc/92/79/00/483927900.db2.gz CIVUVGJESFAHHI-NSHDSACASA-N 1 0 366.374 -0.251 20 5 FBBDRO [NH3+]C1(CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000572978113 483928899 /nfs/dbraw/zinc/92/88/99/483928899.db2.gz IUEINSCGCPKHET-UHFFFAOYSA-N 1 0 362.390 -0.364 20 5 FBBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000573205986 484024890 /nfs/dbraw/zinc/02/48/90/484024890.db2.gz MHSZFTHHPADBAE-UHFFFAOYSA-N 1 0 356.404 -0.133 20 5 FBBDRO CNc1nccc(C(=O)NC[C@](C)(O)CN2CCOCC2)c1[N+](=O)[O-] ZINC000573218814 484209765 /nfs/dbraw/zinc/20/97/65/484209765.db2.gz PSOLTNYRNAHUOT-HNNXBMFYSA-N 1 0 353.379 -0.156 20 5 FBBDRO CNc1nccc(C(=O)NC[C@@](C)(O)CN2CCOCC2)c1[N+](=O)[O-] ZINC000573218815 484209663 /nfs/dbraw/zinc/20/96/63/484209663.db2.gz PSOLTNYRNAHUOT-OAHLLOKOSA-N 1 0 353.379 -0.156 20 5 FBBDRO CN(CCc1ccccn1)C(=O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000573317750 484106756 /nfs/dbraw/zinc/10/67/56/484106756.db2.gz UKDJCVMQCXQNNS-HNNXBMFYSA-N 1 0 362.390 -0.162 20 5 FBBDRO CN(CCc1ccccn1)C(=O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000573317751 484106129 /nfs/dbraw/zinc/10/61/29/484106129.db2.gz UKDJCVMQCXQNNS-OAHLLOKOSA-N 1 0 362.390 -0.162 20 5 FBBDRO CNS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000573438030 484060478 /nfs/dbraw/zinc/06/04/78/484060478.db2.gz WETAYOWVXSYTCP-CYBMUJFWSA-N 1 0 369.403 -0.150 20 5 FBBDRO CNS(=O)(=O)c1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000573438031 484061617 /nfs/dbraw/zinc/06/16/17/484061617.db2.gz WETAYOWVXSYTCP-ZDUSSCGKSA-N 1 0 369.403 -0.150 20 5 FBBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000573665519 484077989 /nfs/dbraw/zinc/07/79/89/484077989.db2.gz FRNPIBQZOQHHKZ-UHFFFAOYSA-N 1 0 363.374 -0.302 20 5 FBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC1=CC[NH2+]CC1 ZINC000573724494 484091075 /nfs/dbraw/zinc/09/10/75/484091075.db2.gz XKBVISXDWHXGBF-UHFFFAOYSA-N 1 0 354.388 -0.091 20 5 FBBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000573785382 484183506 /nfs/dbraw/zinc/18/35/06/484183506.db2.gz SUULPGGUZLZTND-UHFFFAOYSA-N 1 0 351.363 -0.166 20 5 FBBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000573803988 484191989 /nfs/dbraw/zinc/19/19/89/484191989.db2.gz GSKPNCFWNIENLE-GHMZBOCLSA-N 1 0 356.404 -0.013 20 5 FBBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000573803999 484191783 /nfs/dbraw/zinc/19/17/83/484191783.db2.gz GSKPNCFWNIENLE-MNOVXSKESA-N 1 0 356.404 -0.013 20 5 FBBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000573804002 484191315 /nfs/dbraw/zinc/19/13/15/484191315.db2.gz GSKPNCFWNIENLE-QWRGUYRKSA-N 1 0 356.404 -0.013 20 5 FBBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000573804003 484191430 /nfs/dbraw/zinc/19/14/30/484191430.db2.gz GSKPNCFWNIENLE-WDEREUQCSA-N 1 0 356.404 -0.013 20 5 FBBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000573844984 484217729 /nfs/dbraw/zinc/21/77/29/484217729.db2.gz PYTHONJJAVOXQI-LLVKDONJSA-N 1 0 371.419 -0.002 20 5 FBBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000573844987 484217974 /nfs/dbraw/zinc/21/79/74/484217974.db2.gz PYTHONJJAVOXQI-NSHDSACASA-N 1 0 371.419 -0.002 20 5 FBBDRO O=C(CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[NH2+]CC1 ZINC000574032160 484285117 /nfs/dbraw/zinc/28/51/17/484285117.db2.gz IFVTYKGUECPNHF-UHFFFAOYSA-N 1 0 358.358 -0.058 20 5 FBBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000574220565 484308950 /nfs/dbraw/zinc/30/89/50/484308950.db2.gz LQNKRCPMMGAOND-NEPJUHHUSA-N 1 0 354.388 -0.164 20 5 FBBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000574220566 484308851 /nfs/dbraw/zinc/30/88/51/484308851.db2.gz LQNKRCPMMGAOND-NWDGAFQWSA-N 1 0 354.388 -0.164 20 5 FBBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000574220567 484307932 /nfs/dbraw/zinc/30/79/32/484307932.db2.gz LQNKRCPMMGAOND-RYUDHWBXSA-N 1 0 354.388 -0.164 20 5 FBBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000574220568 484308031 /nfs/dbraw/zinc/30/80/31/484308031.db2.gz LQNKRCPMMGAOND-VXGBXAGGSA-N 1 0 354.388 -0.164 20 5 FBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000574321285 483810359 /nfs/dbraw/zinc/81/03/59/483810359.db2.gz SRLRGROMTKEVNW-LLVKDONJSA-N 1 0 350.379 -0.388 20 5 FBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000574321288 483810215 /nfs/dbraw/zinc/81/02/15/483810215.db2.gz SRLRGROMTKEVNW-NSHDSACASA-N 1 0 350.379 -0.388 20 5 FBBDRO [NH3+]CCOCCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000574324386 483816566 /nfs/dbraw/zinc/81/65/66/483816566.db2.gz LHKYNUPCZMKCGD-UHFFFAOYSA-N 1 0 358.420 -0.124 20 5 FBBDRO [NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000574339154 483868763 /nfs/dbraw/zinc/86/87/63/483868763.db2.gz AYYIGDIWWGQTJW-CHWSQXEVSA-N 1 0 354.388 -0.332 20 5 FBBDRO [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000574339156 483868709 /nfs/dbraw/zinc/86/87/09/483868709.db2.gz AYYIGDIWWGQTJW-OLZOCXBDSA-N 1 0 354.388 -0.332 20 5 FBBDRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000574339157 483869098 /nfs/dbraw/zinc/86/90/98/483869098.db2.gz AYYIGDIWWGQTJW-QWHCGFSZSA-N 1 0 354.388 -0.332 20 5 FBBDRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000574339159 483869309 /nfs/dbraw/zinc/86/93/09/483869309.db2.gz AYYIGDIWWGQTJW-STQMWFEESA-N 1 0 354.388 -0.332 20 5 FBBDRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000574683540 484035166 /nfs/dbraw/zinc/03/51/66/484035166.db2.gz RDSKGYXMVUVGRX-UHFFFAOYSA-N 1 0 364.406 -0.294 20 5 FBBDRO C[NH2+]C[C@](C)(O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000574697820 484048516 /nfs/dbraw/zinc/04/85/16/484048516.db2.gz QTUFZHIUESRDKL-HNNXBMFYSA-N 1 0 372.447 -0.129 20 5 FBBDRO C[NH2+]C[C@@](C)(O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000574697821 484048582 /nfs/dbraw/zinc/04/85/82/484048582.db2.gz QTUFZHIUESRDKL-OAHLLOKOSA-N 1 0 372.447 -0.129 20 5 FBBDRO O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000574749973 484056314 /nfs/dbraw/zinc/05/63/14/484056314.db2.gz ROQKWMQWDIBXLT-GHMZBOCLSA-N 1 0 352.347 -0.103 20 5 FBBDRO O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000574749974 484056926 /nfs/dbraw/zinc/05/69/26/484056926.db2.gz ROQKWMQWDIBXLT-MNOVXSKESA-N 1 0 352.347 -0.103 20 5 FBBDRO O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000574749975 484056481 /nfs/dbraw/zinc/05/64/81/484056481.db2.gz ROQKWMQWDIBXLT-QWRGUYRKSA-N 1 0 352.347 -0.103 20 5 FBBDRO O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000574750051 484056347 /nfs/dbraw/zinc/05/63/47/484056347.db2.gz ROQKWMQWDIBXLT-WDEREUQCSA-N 1 0 352.347 -0.103 20 5 FBBDRO Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000574755174 484056560 /nfs/dbraw/zinc/05/65/60/484056560.db2.gz ZCFMHYQCLGVCHQ-UHFFFAOYSA-N 1 0 356.404 -0.078 20 5 FBBDRO O=C(CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)N1CC[NH2+]CC1 ZINC000575027328 484101314 /nfs/dbraw/zinc/10/13/14/484101314.db2.gz BYOYRTOASWQBQA-UHFFFAOYSA-N 1 0 363.374 -0.201 20 5 FBBDRO O=C(C(=O)N1CCC[NH2+]CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000575115559 484111967 /nfs/dbraw/zinc/11/19/67/484111967.db2.gz HRNFBQGGQJJMRH-UHFFFAOYSA-N 1 0 362.390 -0.540 20 5 FBBDRO COc1ccc(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000575138025 484116760 /nfs/dbraw/zinc/11/67/60/484116760.db2.gz NAUSLIFZNRQBBX-CMPLNLGQSA-N 1 0 363.374 -0.214 20 5 FBBDRO COc1ccc(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000575138026 484115705 /nfs/dbraw/zinc/11/57/05/484115705.db2.gz NAUSLIFZNRQBBX-JQWIXIFHSA-N 1 0 363.374 -0.214 20 5 FBBDRO COc1ccc(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000575138027 484116748 /nfs/dbraw/zinc/11/67/48/484116748.db2.gz NAUSLIFZNRQBBX-PWSUYJOCSA-N 1 0 363.374 -0.214 20 5 FBBDRO COc1ccc(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000575138028 484116286 /nfs/dbraw/zinc/11/62/86/484116286.db2.gz NAUSLIFZNRQBBX-ZYHUDNBSSA-N 1 0 363.374 -0.214 20 5 FBBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCC(=O)N1CC[NH2+]CC1 ZINC000575244231 484159592 /nfs/dbraw/zinc/15/95/92/484159592.db2.gz OZLMOUZTIAYGLS-UHFFFAOYSA-N 1 0 364.358 -0.544 20 5 FBBDRO Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000575331070 484495433 /nfs/dbraw/zinc/49/54/33/484495433.db2.gz KDSUQFIUBJNBLW-GHMZBOCLSA-N 1 0 354.388 -0.164 20 5 FBBDRO Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000575331071 484495022 /nfs/dbraw/zinc/49/50/22/484495022.db2.gz KDSUQFIUBJNBLW-MNOVXSKESA-N 1 0 354.388 -0.164 20 5 FBBDRO Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000575331072 484494708 /nfs/dbraw/zinc/49/47/08/484494708.db2.gz KDSUQFIUBJNBLW-QWRGUYRKSA-N 1 0 354.388 -0.164 20 5 FBBDRO Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000575331073 484495601 /nfs/dbraw/zinc/49/56/01/484495601.db2.gz KDSUQFIUBJNBLW-WDEREUQCSA-N 1 0 354.388 -0.164 20 5 FBBDRO Cc1c(C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000575749518 484612338 /nfs/dbraw/zinc/61/23/38/484612338.db2.gz URHDIRMKACPJJX-JTQLQIEISA-N 1 0 371.419 -0.734 20 5 FBBDRO Cc1c(C(=O)N2CCN(C)C[C@H]2C[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000575749526 484612073 /nfs/dbraw/zinc/61/20/73/484612073.db2.gz URHDIRMKACPJJX-SNVBAGLBSA-N 1 0 371.419 -0.734 20 5 FBBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)CCN2C1=O ZINC000575763663 484612240 /nfs/dbraw/zinc/61/22/40/484612240.db2.gz ZKCHSKZOZJBAFW-GHMZBOCLSA-N 1 0 373.373 -0.076 20 5 FBBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)CCN2C1=O ZINC000575763664 484612363 /nfs/dbraw/zinc/61/23/63/484612363.db2.gz ZKCHSKZOZJBAFW-MNOVXSKESA-N 1 0 373.373 -0.076 20 5 FBBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)CCN2C1=O ZINC000575763665 484612408 /nfs/dbraw/zinc/61/24/08/484612408.db2.gz ZKCHSKZOZJBAFW-QWRGUYRKSA-N 1 0 373.373 -0.076 20 5 FBBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)CCN2C1=O ZINC000575763666 484611468 /nfs/dbraw/zinc/61/14/68/484611468.db2.gz ZKCHSKZOZJBAFW-WDEREUQCSA-N 1 0 373.373 -0.076 20 5 FBBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000575868275 484621545 /nfs/dbraw/zinc/62/15/45/484621545.db2.gz ZRKCFIJUFCBCRK-UHFFFAOYSA-N 1 0 356.404 -0.078 20 5 FBBDRO Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000576173056 484935952 /nfs/dbraw/zinc/93/59/52/484935952.db2.gz DYOVCMCITXMKRU-NEPJUHHUSA-N 1 0 361.358 -0.388 20 5 FBBDRO Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000576173057 484936543 /nfs/dbraw/zinc/93/65/43/484936543.db2.gz DYOVCMCITXMKRU-NWDGAFQWSA-N 1 0 361.358 -0.388 20 5 FBBDRO Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000576173058 484936465 /nfs/dbraw/zinc/93/64/65/484936465.db2.gz DYOVCMCITXMKRU-RYUDHWBXSA-N 1 0 361.358 -0.388 20 5 FBBDRO Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000576173059 484935410 /nfs/dbraw/zinc/93/54/10/484935410.db2.gz DYOVCMCITXMKRU-VXGBXAGGSA-N 1 0 361.358 -0.388 20 5 FBBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000576241744 484945751 /nfs/dbraw/zinc/94/57/51/484945751.db2.gz CVKYBHJLTPSKST-GHMZBOCLSA-N 1 0 370.387 -0.464 20 5 FBBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000576241745 484945626 /nfs/dbraw/zinc/94/56/26/484945626.db2.gz CVKYBHJLTPSKST-MNOVXSKESA-N 1 0 370.387 -0.464 20 5 FBBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000576241746 484946133 /nfs/dbraw/zinc/94/61/33/484946133.db2.gz CVKYBHJLTPSKST-QWRGUYRKSA-N 1 0 370.387 -0.464 20 5 FBBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000576241747 484945560 /nfs/dbraw/zinc/94/55/60/484945560.db2.gz CVKYBHJLTPSKST-WDEREUQCSA-N 1 0 370.387 -0.464 20 5 FBBDRO CS(=O)(=O)C1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]CC1 ZINC000576281243 484464321 /nfs/dbraw/zinc/46/43/21/484464321.db2.gz ZLSOCKHWVUSSIP-UHFFFAOYSA-N 1 0 367.387 0.576 20 5 FBBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000576537323 485250383 /nfs/dbraw/zinc/25/03/83/485250383.db2.gz SZMGVJFZMSHCID-KRWDZBQOSA-N 1 0 362.386 -0.103 20 5 FBBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000576537324 485250118 /nfs/dbraw/zinc/25/01/18/485250118.db2.gz SZMGVJFZMSHCID-QGZVFWFLSA-N 1 0 362.386 -0.103 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1 ZINC000576779050 485303903 /nfs/dbraw/zinc/30/39/03/485303903.db2.gz PLOKOCRAOKQNGA-CABCVRRESA-N 1 0 371.463 -0.050 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1 ZINC000576779053 485303269 /nfs/dbraw/zinc/30/32/69/485303269.db2.gz PLOKOCRAOKQNGA-GJZGRUSLSA-N 1 0 371.463 -0.050 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1 ZINC000576779054 485303565 /nfs/dbraw/zinc/30/35/65/485303565.db2.gz PLOKOCRAOKQNGA-HUUCEWRRSA-N 1 0 371.463 -0.050 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1 ZINC000576779055 485303721 /nfs/dbraw/zinc/30/37/21/485303721.db2.gz PLOKOCRAOKQNGA-LSDHHAIUSA-N 1 0 371.463 -0.050 20 5 FBBDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000576875301 485319254 /nfs/dbraw/zinc/31/92/54/485319254.db2.gz UVWCRSHFRBVLAG-HNNXBMFYSA-N 1 0 364.406 -0.262 20 5 FBBDRO CS(=O)(=O)c1cc(C(=O)NCC(=O)N2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000577054946 485365826 /nfs/dbraw/zinc/36/58/26/485365826.db2.gz UQVVDCQUDMYUMO-UHFFFAOYSA-N 1 0 370.387 -0.840 20 5 FBBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000577055036 485365360 /nfs/dbraw/zinc/36/53/60/485365360.db2.gz PGLWXVFUBJSYSB-GFCCVEGCSA-N 1 0 356.404 -0.368 20 5 FBBDRO CN1CC[NH2+]C[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000577055037 485365819 /nfs/dbraw/zinc/36/58/19/485365819.db2.gz PGLWXVFUBJSYSB-LBPRGKRZSA-N 1 0 356.404 -0.368 20 5 FBBDRO O=C(CCOC1C[NH2+]C1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000577171406 483924870 /nfs/dbraw/zinc/92/48/70/483924870.db2.gz GQLQLDBNDPUQHR-UHFFFAOYSA-N 1 0 372.403 -0.632 20 5 FBBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000577174086 483925461 /nfs/dbraw/zinc/92/54/61/483925461.db2.gz IPWFVYPKVIIHMA-UHFFFAOYSA-N 1 0 364.358 -0.130 20 5 FBBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000577221761 483935138 /nfs/dbraw/zinc/93/51/38/483935138.db2.gz ZEBGTLIHMXVOJC-NEPJUHHUSA-N 1 0 364.406 -0.120 20 5 FBBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000577221762 483935076 /nfs/dbraw/zinc/93/50/76/483935076.db2.gz ZEBGTLIHMXVOJC-NWDGAFQWSA-N 1 0 364.406 -0.120 20 5 FBBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000577221763 483935208 /nfs/dbraw/zinc/93/52/08/483935208.db2.gz ZEBGTLIHMXVOJC-RYUDHWBXSA-N 1 0 364.406 -0.120 20 5 FBBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000577221764 483934751 /nfs/dbraw/zinc/93/47/51/483934751.db2.gz ZEBGTLIHMXVOJC-VXGBXAGGSA-N 1 0 364.406 -0.120 20 5 FBBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000577373892 483963082 /nfs/dbraw/zinc/96/30/82/483963082.db2.gz WUXGNBOPKKJEJI-NEPJUHHUSA-N 1 0 364.406 -0.120 20 5 FBBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000577373893 483962381 /nfs/dbraw/zinc/96/23/81/483962381.db2.gz WUXGNBOPKKJEJI-NWDGAFQWSA-N 1 0 364.406 -0.120 20 5 FBBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000577373894 483962711 /nfs/dbraw/zinc/96/27/11/483962711.db2.gz WUXGNBOPKKJEJI-RYUDHWBXSA-N 1 0 364.406 -0.120 20 5 FBBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000577373895 483963464 /nfs/dbraw/zinc/96/34/64/483963464.db2.gz WUXGNBOPKKJEJI-VXGBXAGGSA-N 1 0 364.406 -0.120 20 5 FBBDRO COC(=O)c1ccc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000577609615 483401569 /nfs/dbraw/zinc/40/15/69/483401569.db2.gz FJSODMVESNTELT-SECBINFHSA-N 1 0 359.360 -0.270 20 5 FBBDRO COC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000577609616 483401612 /nfs/dbraw/zinc/40/16/12/483401612.db2.gz FJSODMVESNTELT-VIFPVBQESA-N 1 0 359.360 -0.270 20 5 FBBDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000577620772 483402711 /nfs/dbraw/zinc/40/27/11/483402711.db2.gz PKDBPSGQUYQZFM-LBPRGKRZSA-N 1 0 362.390 -0.541 20 5 FBBDRO C[N@H+](C[C@@H](O)CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000577622062 483402480 /nfs/dbraw/zinc/40/24/80/483402480.db2.gz SUIKDIFWTNBISF-AWEZNQCLSA-N 1 0 372.447 -0.082 20 5 FBBDRO C[N@H+](C[C@H](O)CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000577622063 483402951 /nfs/dbraw/zinc/40/29/51/483402951.db2.gz SUIKDIFWTNBISF-CQSZACIVSA-N 1 0 372.447 -0.082 20 5 FBBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000577833223 483416652 /nfs/dbraw/zinc/41/66/52/483416652.db2.gz CKIZABDRGPHILW-CYBMUJFWSA-N 1 0 365.390 -0.679 20 5 FBBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000577833224 483417012 /nfs/dbraw/zinc/41/70/12/483417012.db2.gz CKIZABDRGPHILW-ZDUSSCGKSA-N 1 0 365.390 -0.679 20 5 FBBDRO CN1CCN(C(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@H](C[NH3+])C1 ZINC000577833242 483416770 /nfs/dbraw/zinc/41/67/70/483416770.db2.gz GJTYIOAFQZCVFQ-GFCCVEGCSA-N 1 0 369.809 -0.034 20 5 FBBDRO CN1CCN(C(=O)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000577833243 483416940 /nfs/dbraw/zinc/41/69/40/483416940.db2.gz GJTYIOAFQZCVFQ-LBPRGKRZSA-N 1 0 369.809 -0.034 20 5 FBBDRO CN1CC[NH2+]C[C@H]1CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000577953636 483423678 /nfs/dbraw/zinc/42/36/78/483423678.db2.gz FDHGNUUOSDIKSE-AWEZNQCLSA-N 1 0 364.406 -0.586 20 5 FBBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000577953637 483424361 /nfs/dbraw/zinc/42/43/61/483424361.db2.gz FDHGNUUOSDIKSE-CQSZACIVSA-N 1 0 364.406 -0.586 20 5 FBBDRO CNc1nccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000578203388 484209329 /nfs/dbraw/zinc/20/93/29/484209329.db2.gz QUBZXIUZUQAQPF-LLVKDONJSA-N 1 0 364.406 0.349 20 5 FBBDRO CNc1nccc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000578203389 484209484 /nfs/dbraw/zinc/20/94/84/484209484.db2.gz QUBZXIUZUQAQPF-NSHDSACASA-N 1 0 364.406 0.349 20 5 FBBDRO [NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000578338837 483484107 /nfs/dbraw/zinc/48/41/07/483484107.db2.gz ZSLRXQBCEJEFLW-CHWSQXEVSA-N 1 0 354.388 -0.332 20 5 FBBDRO [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000578338838 483484247 /nfs/dbraw/zinc/48/42/47/483484247.db2.gz ZSLRXQBCEJEFLW-OLZOCXBDSA-N 1 0 354.388 -0.332 20 5 FBBDRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000578338839 483484437 /nfs/dbraw/zinc/48/44/37/483484437.db2.gz ZSLRXQBCEJEFLW-QWHCGFSZSA-N 1 0 354.388 -0.332 20 5 FBBDRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000578338840 483483854 /nfs/dbraw/zinc/48/38/54/483483854.db2.gz ZSLRXQBCEJEFLW-STQMWFEESA-N 1 0 354.388 -0.332 20 5 FBBDRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000578368866 484210089 /nfs/dbraw/zinc/21/00/89/484210089.db2.gz IYGBUQZSJDQKTC-CYZMBNFOSA-N 1 0 361.424 -0.540 20 5 FBBDRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000578368867 484210470 /nfs/dbraw/zinc/21/04/70/484210470.db2.gz IYGBUQZSJDQKTC-DRZSPHRISA-N 1 0 361.424 -0.540 20 5 FBBDRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000578368868 483491800 /nfs/dbraw/zinc/49/18/00/483491800.db2.gz IYGBUQZSJDQKTC-UHTWSYAYSA-N 1 0 361.424 -0.540 20 5 FBBDRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000578368869 483491511 /nfs/dbraw/zinc/49/15/11/483491511.db2.gz IYGBUQZSJDQKTC-WCFLWFBJSA-N 1 0 361.424 -0.540 20 5 FBBDRO O=C1CNC(=O)N1CCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578436504 483498304 /nfs/dbraw/zinc/49/83/04/483498304.db2.gz XOVGFDXNUVYYRK-GFCCVEGCSA-N 1 0 352.347 -0.134 20 5 FBBDRO O=C1CNC(=O)N1CCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578436505 483498392 /nfs/dbraw/zinc/49/83/92/483498392.db2.gz XOVGFDXNUVYYRK-LBPRGKRZSA-N 1 0 352.347 -0.134 20 5 FBBDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc([N+](=O)[O-])cnc3N)CC2)C1=O ZINC000578525127 484216494 /nfs/dbraw/zinc/21/64/94/484216494.db2.gz ZVSAAUFAQLILKU-CYBMUJFWSA-N 1 0 362.390 -0.003 20 5 FBBDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc([N+](=O)[O-])cnc3N)CC2)C1=O ZINC000578525128 483505182 /nfs/dbraw/zinc/50/51/82/483505182.db2.gz ZVSAAUFAQLILKU-ZDUSSCGKSA-N 1 0 362.390 -0.003 20 5 FBBDRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000578546868 484528266 /nfs/dbraw/zinc/52/82/66/484528266.db2.gz RIBWGKPVKJZRAS-UHFFFAOYSA-N 1 0 364.406 0.102 20 5 FBBDRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000578858145 483575840 /nfs/dbraw/zinc/57/58/40/483575840.db2.gz VBIMAMTYDJPYNI-UHFFFAOYSA-N 1 0 350.379 -0.684 20 5 FBBDRO O=C(CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[NH2+]CC1 ZINC000578879036 483577615 /nfs/dbraw/zinc/57/76/15/483577615.db2.gz YZPUGSIVCMQVTN-UHFFFAOYSA-N 1 0 358.358 -0.058 20 5 FBBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000578977597 483587982 /nfs/dbraw/zinc/58/79/82/483587982.db2.gz IRICKNRXIWLTGM-UHFFFAOYSA-N 1 0 363.374 -0.356 20 5 FBBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCC(=O)N1CC[NH2+]CC1 ZINC000578979820 483587605 /nfs/dbraw/zinc/58/76/05/483587605.db2.gz MTUWNLYWQVGBGV-UHFFFAOYSA-N 1 0 363.374 -0.737 20 5 FBBDRO O=C1CNC(=O)N1CCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578981877 483587643 /nfs/dbraw/zinc/58/76/43/483587643.db2.gz TVORFZICCYYKOM-LLVKDONJSA-N 1 0 352.347 -0.134 20 5 FBBDRO O=C1CNC(=O)N1CCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578981878 483588036 /nfs/dbraw/zinc/58/80/36/483588036.db2.gz TVORFZICCYYKOM-NSHDSACASA-N 1 0 352.347 -0.134 20 5 FBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC1CC[NH2+]CC1 ZINC000579008444 483587952 /nfs/dbraw/zinc/58/79/52/483587952.db2.gz WJHLFHCLZXVSQZ-UHFFFAOYSA-N 1 0 356.404 -0.011 20 5 FBBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000579109467 483602992 /nfs/dbraw/zinc/60/29/92/483602992.db2.gz CDJWRHUYCSWAGU-AWEZNQCLSA-N 1 0 363.418 -0.303 20 5 FBBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000579109470 483602850 /nfs/dbraw/zinc/60/28/50/483602850.db2.gz CDJWRHUYCSWAGU-CQSZACIVSA-N 1 0 363.418 -0.303 20 5 FBBDRO CS(=O)(=O)c1ccc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000579128842 483605889 /nfs/dbraw/zinc/60/58/89/483605889.db2.gz RZNUTCHBEMHBME-GXSJLCMTSA-N 1 0 354.388 -0.254 20 5 FBBDRO CS(=O)(=O)c1ccc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000579128844 483605165 /nfs/dbraw/zinc/60/51/65/483605165.db2.gz RZNUTCHBEMHBME-KOLCDFICSA-N 1 0 354.388 -0.254 20 5 FBBDRO CS(=O)(=O)c1ccc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000579128845 483605897 /nfs/dbraw/zinc/60/58/97/483605897.db2.gz RZNUTCHBEMHBME-MWLCHTKSSA-N 1 0 354.388 -0.254 20 5 FBBDRO CS(=O)(=O)c1ccc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000579128847 483605678 /nfs/dbraw/zinc/60/56/78/483605678.db2.gz RZNUTCHBEMHBME-ONGXEEELSA-N 1 0 354.388 -0.254 20 5 FBBDRO COC(=O)c1ccc(S(=O)(=O)NCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000579479531 657372774 /nfs/dbraw/zinc/37/27/74/657372774.db2.gz ZHUKJWDBSOXZII-UHFFFAOYSA-N 1 0 372.403 -0.435 20 5 FBBDRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000579573722 483662850 /nfs/dbraw/zinc/66/28/50/483662850.db2.gz SGLKDIXGZZQFKC-LLVKDONJSA-N 1 0 350.379 -0.651 20 5 FBBDRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000579573723 483662577 /nfs/dbraw/zinc/66/25/77/483662577.db2.gz SGLKDIXGZZQFKC-NSHDSACASA-N 1 0 350.379 -0.651 20 5 FBBDRO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000579586637 483662618 /nfs/dbraw/zinc/66/26/18/483662618.db2.gz CIWHCSAIJZSAHO-WCQYABFASA-N 1 0 372.403 -0.634 20 5 FBBDRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000579692559 483670151 /nfs/dbraw/zinc/67/01/51/483670151.db2.gz HHKIYACVJKZNOS-GFCCVEGCSA-N 1 0 362.390 -0.493 20 5 FBBDRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000579692568 483670167 /nfs/dbraw/zinc/67/01/67/483670167.db2.gz HHKIYACVJKZNOS-LBPRGKRZSA-N 1 0 362.390 -0.493 20 5 FBBDRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000579710295 483670725 /nfs/dbraw/zinc/67/07/25/483670725.db2.gz BDNNOMLADRITGN-GFCCVEGCSA-N 1 0 350.379 -0.177 20 5 FBBDRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000579710297 483670659 /nfs/dbraw/zinc/67/06/59/483670659.db2.gz BDNNOMLADRITGN-LBPRGKRZSA-N 1 0 350.379 -0.177 20 5 FBBDRO Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3cccc([N+](=O)[O-])c3)C[C@H]2[NH3+])cn1 ZINC000579823872 483682461 /nfs/dbraw/zinc/68/24/61/483682461.db2.gz KQKUORZBOGBYKT-LSDHHAIUSA-N 1 0 372.385 -0.102 20 5 FBBDRO CNc1nccc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000579850517 484209157 /nfs/dbraw/zinc/20/91/57/484209157.db2.gz ZVQNHFYSIKPYBM-LLVKDONJSA-N 1 0 350.379 0.101 20 5 FBBDRO CNc1nccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000579850518 484209623 /nfs/dbraw/zinc/20/96/23/484209623.db2.gz ZVQNHFYSIKPYBM-NSHDSACASA-N 1 0 350.379 0.101 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCNS(=O)(=O)c2ccccc2)c1 ZINC000580064036 484294890 /nfs/dbraw/zinc/29/48/90/484294890.db2.gz HWFNVGYJCSHSQS-CYBMUJFWSA-N 1 0 369.403 -0.280 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCNS(=O)(=O)c2ccccc2)c1 ZINC000580064037 484222862 /nfs/dbraw/zinc/22/28/62/484222862.db2.gz HWFNVGYJCSHSQS-ZDUSSCGKSA-N 1 0 369.403 -0.280 20 5 FBBDRO CN(CC[NH+](C)C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000580165608 484324850 /nfs/dbraw/zinc/32/48/50/484324850.db2.gz OMCGLHZZWYYFGM-UHFFFAOYSA-N 1 0 364.406 -0.342 20 5 FBBDRO CN1CCN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000580173782 484231933 /nfs/dbraw/zinc/23/19/33/484231933.db2.gz MVHATUKMBYOCRF-CYBMUJFWSA-N 1 0 365.390 -0.809 20 5 FBBDRO CN1CCN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000580173783 484327771 /nfs/dbraw/zinc/32/77/71/484327771.db2.gz MVHATUKMBYOCRF-ZDUSSCGKSA-N 1 0 365.390 -0.809 20 5 FBBDRO Cc1cc(S(N)(=O)=O)ccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000580183859 484231827 /nfs/dbraw/zinc/23/18/27/484231827.db2.gz YVAPAZAKFAMHOB-CYBMUJFWSA-N 1 0 369.403 -0.102 20 5 FBBDRO Cc1cc(S(N)(=O)=O)ccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000580183860 484232095 /nfs/dbraw/zinc/23/20/95/484232095.db2.gz YVAPAZAKFAMHOB-ZDUSSCGKSA-N 1 0 369.403 -0.102 20 5 FBBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000580209892 484550003 /nfs/dbraw/zinc/55/00/03/484550003.db2.gz HMGVOMLZFNNQCG-JTQLQIEISA-N 1 0 350.379 -0.111 20 5 FBBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000580209896 484549585 /nfs/dbraw/zinc/54/95/85/484549585.db2.gz HMGVOMLZFNNQCG-SNVBAGLBSA-N 1 0 350.379 -0.111 20 5 FBBDRO CN(CCC[NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000580300364 484233080 /nfs/dbraw/zinc/23/30/80/484233080.db2.gz CTUOVFFCPGPLAN-UHFFFAOYSA-N 1 0 359.408 -0.137 20 5 FBBDRO O=C1CNC(=O)N1CCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000580305897 484425552 /nfs/dbraw/zinc/42/55/52/484425552.db2.gz ZRQYUXTVGZCDCN-UHFFFAOYSA-N 1 0 370.387 -0.100 20 5 FBBDRO CO[C@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000580313192 484465859 /nfs/dbraw/zinc/46/58/59/484465859.db2.gz WAYWNBZIGVDMOR-CYBMUJFWSA-N 1 0 372.403 -0.599 20 5 FBBDRO CO[C@@H](C[NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000580313193 484466264 /nfs/dbraw/zinc/46/62/64/484466264.db2.gz WAYWNBZIGVDMOR-ZDUSSCGKSA-N 1 0 372.403 -0.599 20 5 FBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000580329552 484233357 /nfs/dbraw/zinc/23/33/57/484233357.db2.gz DJGZSLXACACTLF-NEPJUHHUSA-N 1 0 368.415 -0.059 20 5 FBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000580329553 484233344 /nfs/dbraw/zinc/23/33/44/484233344.db2.gz DJGZSLXACACTLF-NWDGAFQWSA-N 1 0 368.415 -0.059 20 5 FBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000580329554 484232669 /nfs/dbraw/zinc/23/26/69/484232669.db2.gz DJGZSLXACACTLF-RYUDHWBXSA-N 1 0 368.415 -0.059 20 5 FBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000580329555 484233493 /nfs/dbraw/zinc/23/34/93/484233493.db2.gz DJGZSLXACACTLF-VXGBXAGGSA-N 1 0 368.415 -0.059 20 5 FBBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000580706501 484236952 /nfs/dbraw/zinc/23/69/52/484236952.db2.gz PFCJZVISZPEABI-GFCCVEGCSA-N 1 0 364.406 -0.247 20 5 FBBDRO O=C(CCOC1C[NH2+]C1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000580709288 484237422 /nfs/dbraw/zinc/23/74/22/484237422.db2.gz LUJTZHDUEWCADA-UHFFFAOYSA-N 1 0 372.403 -0.632 20 5 FBBDRO O=C(CCOC1C[NH2+]C1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000580768724 484237202 /nfs/dbraw/zinc/23/72/02/484237202.db2.gz WFLDMEHOUFAARB-UHFFFAOYSA-N 1 0 372.403 -0.632 20 5 FBBDRO NC(=O)c1ccc(SCC(=O)NC[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000580828289 484237646 /nfs/dbraw/zinc/23/76/46/484237646.db2.gz CQJVHERGXNDWTB-JTQLQIEISA-N 1 0 354.388 -0.110 20 5 FBBDRO NC(=O)c1ccc(SCC(=O)NC[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000580828293 484236722 /nfs/dbraw/zinc/23/67/22/484236722.db2.gz CQJVHERGXNDWTB-SNVBAGLBSA-N 1 0 354.388 -0.110 20 5 FBBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)c1 ZINC000580888387 484239267 /nfs/dbraw/zinc/23/92/67/484239267.db2.gz MBYNHWFFGLYRHF-CYBMUJFWSA-N 1 0 369.403 -0.280 20 5 FBBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)c1 ZINC000580888393 484239503 /nfs/dbraw/zinc/23/95/03/484239503.db2.gz MBYNHWFFGLYRHF-ZDUSSCGKSA-N 1 0 369.403 -0.280 20 5 FBBDRO NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000580931581 484238661 /nfs/dbraw/zinc/23/86/61/484238661.db2.gz ZDYLJGHOAGLDKY-SECBINFHSA-N 1 0 361.405 -0.349 20 5 FBBDRO NS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000580931582 484239414 /nfs/dbraw/zinc/23/94/14/484239414.db2.gz ZDYLJGHOAGLDKY-VIFPVBQESA-N 1 0 361.405 -0.349 20 5 FBBDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)Cn3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000581033522 484238316 /nfs/dbraw/zinc/23/83/16/484238316.db2.gz LGAJOPZCMSIUQL-GFCCVEGCSA-N 1 0 350.379 -0.397 20 5 FBBDRO CN1CC[C@H]([NH+]2CCC(NC(=O)Cn3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000581033523 484238333 /nfs/dbraw/zinc/23/83/33/484238333.db2.gz LGAJOPZCMSIUQL-LBPRGKRZSA-N 1 0 350.379 -0.397 20 5 FBBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000581143709 484241067 /nfs/dbraw/zinc/24/10/67/484241067.db2.gz YXYLYEVGNDHBHM-NEPJUHHUSA-N 1 0 354.388 -0.164 20 5 FBBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000581143713 484241032 /nfs/dbraw/zinc/24/10/32/484241032.db2.gz YXYLYEVGNDHBHM-NWDGAFQWSA-N 1 0 354.388 -0.164 20 5 FBBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000581143715 484240516 /nfs/dbraw/zinc/24/05/16/484240516.db2.gz YXYLYEVGNDHBHM-RYUDHWBXSA-N 1 0 354.388 -0.164 20 5 FBBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000581143717 484240435 /nfs/dbraw/zinc/24/04/35/484240435.db2.gz YXYLYEVGNDHBHM-VXGBXAGGSA-N 1 0 354.388 -0.164 20 5 FBBDRO O=C(NCCN1CC[NH2+]CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000581240993 484240754 /nfs/dbraw/zinc/24/07/54/484240754.db2.gz QUHOGYXXAPZIQP-UHFFFAOYSA-N 1 0 363.422 -0.273 20 5 FBBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000581602828 484245475 /nfs/dbraw/zinc/24/54/75/484245475.db2.gz TXJOJMMDDZDCOP-NEPJUHHUSA-N 1 0 365.390 -0.188 20 5 FBBDRO CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000581602829 484245963 /nfs/dbraw/zinc/24/59/63/484245963.db2.gz TXJOJMMDDZDCOP-NWDGAFQWSA-N 1 0 365.390 -0.188 20 5 FBBDRO CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000581602830 484245451 /nfs/dbraw/zinc/24/54/51/484245451.db2.gz TXJOJMMDDZDCOP-RYUDHWBXSA-N 1 0 365.390 -0.188 20 5 FBBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000581602831 484246474 /nfs/dbraw/zinc/24/64/74/484246474.db2.gz TXJOJMMDDZDCOP-VXGBXAGGSA-N 1 0 365.390 -0.188 20 5 FBBDRO [NH3+][C@H]1C[C@H]2CN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CCN2C1=O ZINC000581618959 484246365 /nfs/dbraw/zinc/24/63/65/484246365.db2.gz UFOHQLFBKHQMOR-KBPBESRZSA-N 1 0 359.386 -0.272 20 5 FBBDRO [NH3+][C@H]1C[C@@H]2CN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CCN2C1=O ZINC000581618960 484246380 /nfs/dbraw/zinc/24/63/80/484246380.db2.gz UFOHQLFBKHQMOR-KGLIPLIRSA-N 1 0 359.386 -0.272 20 5 FBBDRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CCN2C1=O ZINC000581618961 484246090 /nfs/dbraw/zinc/24/60/90/484246090.db2.gz UFOHQLFBKHQMOR-UONOGXRCSA-N 1 0 359.386 -0.272 20 5 FBBDRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CCN2C1=O ZINC000581618962 484245499 /nfs/dbraw/zinc/24/54/99/484245499.db2.gz UFOHQLFBKHQMOR-ZIAGYGMSSA-N 1 0 359.386 -0.272 20 5 FBBDRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[NH2+]1 ZINC000581661256 484247769 /nfs/dbraw/zinc/24/77/69/484247769.db2.gz GJRPESDFNUKJNE-LBPRGKRZSA-N 1 0 362.390 -0.541 20 5 FBBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000581664321 484247221 /nfs/dbraw/zinc/24/72/21/484247221.db2.gz IWISQWUMQBIHQD-GWCFXTLKSA-N 1 0 356.404 -0.013 20 5 FBBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000581664322 484248130 /nfs/dbraw/zinc/24/81/30/484248130.db2.gz IWISQWUMQBIHQD-GXFFZTMASA-N 1 0 356.404 -0.013 20 5 FBBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000581664323 484248578 /nfs/dbraw/zinc/24/85/78/484248578.db2.gz IWISQWUMQBIHQD-MFKMUULPSA-N 1 0 356.404 -0.013 20 5 FBBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000581664324 484247414 /nfs/dbraw/zinc/24/74/14/484247414.db2.gz IWISQWUMQBIHQD-ZWNOBZJWSA-N 1 0 356.404 -0.013 20 5 FBBDRO CNc1nccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000581734712 484205655 /nfs/dbraw/zinc/20/56/55/484205655.db2.gz UOYVHBWSCPGSKJ-UHFFFAOYSA-N 1 0 350.379 -0.123 20 5 FBBDRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000581778125 484247528 /nfs/dbraw/zinc/24/75/28/484247528.db2.gz SEVKXMQZKPHNCT-CYBMUJFWSA-N 1 0 362.386 -0.026 20 5 FBBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000581778126 484248508 /nfs/dbraw/zinc/24/85/08/484248508.db2.gz SEVKXMQZKPHNCT-ZDUSSCGKSA-N 1 0 362.386 -0.026 20 5 FBBDRO Nc1nccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000581893770 484531500 /nfs/dbraw/zinc/53/15/00/484531500.db2.gz ZQJNHROLRAETMH-UHFFFAOYSA-N 1 0 362.390 -0.048 20 5 FBBDRO CC[NH2+]CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000582053265 484254276 /nfs/dbraw/zinc/25/42/76/484254276.db2.gz TVLBCEMSIQMLMT-UHFFFAOYSA-N 1 0 350.379 -0.636 20 5 FBBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000582372074 484256479 /nfs/dbraw/zinc/25/64/79/484256479.db2.gz XBWHQNCYKWWDBJ-NEPJUHHUSA-N 1 0 365.321 -0.557 20 5 FBBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000582372075 484256197 /nfs/dbraw/zinc/25/61/97/484256197.db2.gz XBWHQNCYKWWDBJ-NWDGAFQWSA-N 1 0 365.321 -0.557 20 5 FBBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000582372076 484256213 /nfs/dbraw/zinc/25/62/13/484256213.db2.gz XBWHQNCYKWWDBJ-RYUDHWBXSA-N 1 0 365.321 -0.557 20 5 FBBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000582372077 484256640 /nfs/dbraw/zinc/25/66/40/484256640.db2.gz XBWHQNCYKWWDBJ-VXGBXAGGSA-N 1 0 365.321 -0.557 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000582550907 484262280 /nfs/dbraw/zinc/26/22/80/484262280.db2.gz ZGGOGGJLPJNIPU-HNNXBMFYSA-N 1 0 353.423 -0.021 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000582550911 484261527 /nfs/dbraw/zinc/26/15/27/484261527.db2.gz ZGGOGGJLPJNIPU-OAHLLOKOSA-N 1 0 353.423 -0.021 20 5 FBBDRO COc1cc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000582556033 484263433 /nfs/dbraw/zinc/26/34/33/484263433.db2.gz BNGWXKIOFCGTKQ-GXSJLCMTSA-N 1 0 364.358 -0.004 20 5 FBBDRO COc1cc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000582556037 484263584 /nfs/dbraw/zinc/26/35/84/484263584.db2.gz BNGWXKIOFCGTKQ-KOLCDFICSA-N 1 0 364.358 -0.004 20 5 FBBDRO COc1cc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000582556038 484263707 /nfs/dbraw/zinc/26/37/07/484263707.db2.gz BNGWXKIOFCGTKQ-MWLCHTKSSA-N 1 0 364.358 -0.004 20 5 FBBDRO COc1cc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000582556039 484261773 /nfs/dbraw/zinc/26/17/73/484261773.db2.gz BNGWXKIOFCGTKQ-ONGXEEELSA-N 1 0 364.358 -0.004 20 5 FBBDRO CS(=O)(=O)c1cccc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1[N+](=O)[O-] ZINC000582676087 484276093 /nfs/dbraw/zinc/27/60/93/484276093.db2.gz CPNCLQOZLBRBSF-NXEZZACHSA-N 1 0 354.388 -0.254 20 5 FBBDRO CS(=O)(=O)c1cccc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1[N+](=O)[O-] ZINC000582676091 484275558 /nfs/dbraw/zinc/27/55/58/484275558.db2.gz CPNCLQOZLBRBSF-UWVGGRQHSA-N 1 0 354.388 -0.254 20 5 FBBDRO CS(=O)(=O)c1cccc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1[N+](=O)[O-] ZINC000582676092 484275234 /nfs/dbraw/zinc/27/52/34/484275234.db2.gz CPNCLQOZLBRBSF-VHSXEESVSA-N 1 0 354.388 -0.254 20 5 FBBDRO CS(=O)(=O)c1cccc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1[N+](=O)[O-] ZINC000582676093 484275891 /nfs/dbraw/zinc/27/58/91/484275891.db2.gz CPNCLQOZLBRBSF-ZJUUUORDSA-N 1 0 354.388 -0.254 20 5 FBBDRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000582724096 484281321 /nfs/dbraw/zinc/28/13/21/484281321.db2.gz XYNSXIHAFRCUIB-ZDUSSCGKSA-N 1 0 364.358 -0.230 20 5 FBBDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[NH2+]1 ZINC000582779629 484283670 /nfs/dbraw/zinc/28/36/70/484283670.db2.gz GJRPESDFNUKJNE-GFCCVEGCSA-N 1 0 362.390 -0.541 20 5 FBBDRO C[NH2+]C[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000582905088 484291459 /nfs/dbraw/zinc/29/14/59/484291459.db2.gz BIDCKYVAGQRRMC-LLVKDONJSA-N 1 0 356.404 -0.059 20 5 FBBDRO C[NH2+]C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000582905089 484291323 /nfs/dbraw/zinc/29/13/23/484291323.db2.gz BIDCKYVAGQRRMC-NSHDSACASA-N 1 0 356.404 -0.059 20 5 FBBDRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000582958738 484294249 /nfs/dbraw/zinc/29/42/49/484294249.db2.gz ZOXRBNLPSUBWTF-GFCCVEGCSA-N 1 0 362.390 -0.412 20 5 FBBDRO O=C1CN(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000583199779 484377405 /nfs/dbraw/zinc/37/74/05/484377405.db2.gz HRMQBFCMIWGVFC-UHFFFAOYSA-N 1 0 356.404 -0.610 20 5 FBBDRO C[NH+](C)[C@H]1CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1O ZINC000583212276 484397008 /nfs/dbraw/zinc/39/70/08/484397008.db2.gz LLLRVZGTCMSXBQ-RYUDHWBXSA-N 1 0 352.347 -0.131 20 5 FBBDRO Cn1ccc(N2CCC[C@@H]([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2=O)n1 ZINC000583257803 484418456 /nfs/dbraw/zinc/41/84/56/484418456.db2.gz AURKKPCGWCIBPZ-CHWSQXEVSA-N 1 0 363.378 -0.329 20 5 FBBDRO Cn1ccc(N2CCC[C@H]([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2=O)n1 ZINC000583257804 484418633 /nfs/dbraw/zinc/41/86/33/484418633.db2.gz AURKKPCGWCIBPZ-OLZOCXBDSA-N 1 0 363.378 -0.329 20 5 FBBDRO Cn1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2=O)n1 ZINC000583257805 484418610 /nfs/dbraw/zinc/41/86/10/484418610.db2.gz AURKKPCGWCIBPZ-QWHCGFSZSA-N 1 0 363.378 -0.329 20 5 FBBDRO Cn1ccc(N2CCC[C@H]([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2=O)n1 ZINC000583257806 484418769 /nfs/dbraw/zinc/41/87/69/484418769.db2.gz AURKKPCGWCIBPZ-STQMWFEESA-N 1 0 363.378 -0.329 20 5 FBBDRO Cc1cc(C(=O)NCC(=O)N2CCC(O)(C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000583262709 484418376 /nfs/dbraw/zinc/41/83/76/484418376.db2.gz OGLWTXXLIDALLK-UHFFFAOYSA-N 1 0 350.375 -0.055 20 5 FBBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@H]1C[NH2+]CCO1 ZINC000583376188 484421736 /nfs/dbraw/zinc/42/17/36/484421736.db2.gz CFJAIYKBZHEQMN-LLVKDONJSA-N 1 0 350.331 -0.575 20 5 FBBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC[C@@H]1C[NH2+]CCO1 ZINC000583376189 484420719 /nfs/dbraw/zinc/42/07/19/484420719.db2.gz CFJAIYKBZHEQMN-NSHDSACASA-N 1 0 350.331 -0.575 20 5 FBBDRO Cc1nn(CCC(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)c(C)c1[N+](=O)[O-] ZINC000583439277 484421305 /nfs/dbraw/zinc/42/13/05/484421305.db2.gz IDUYHTBFMWCTGG-UHFFFAOYSA-N 1 0 363.382 -0.035 20 5 FBBDRO [NH3+][C@@H]1C[C@H]2CN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000583451801 484421349 /nfs/dbraw/zinc/42/13/49/484421349.db2.gz HYLJMNPXTQPOGI-GXTWGEPZSA-N 1 0 368.415 -0.388 20 5 FBBDRO [NH3+][C@H]1C[C@H]2CN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000583451802 484420814 /nfs/dbraw/zinc/42/08/14/484420814.db2.gz HYLJMNPXTQPOGI-JSGCOSHPSA-N 1 0 368.415 -0.388 20 5 FBBDRO [NH3+][C@H]1C[C@@H]2CN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000583451803 484420898 /nfs/dbraw/zinc/42/08/98/484420898.db2.gz HYLJMNPXTQPOGI-OCCSQVGLSA-N 1 0 368.415 -0.388 20 5 FBBDRO [NH3+][C@@H]1C[C@@H]2CN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000583451804 484421744 /nfs/dbraw/zinc/42/17/44/484421744.db2.gz HYLJMNPXTQPOGI-TZMCWYRMSA-N 1 0 368.415 -0.388 20 5 FBBDRO NC(=O)[C@@H]1CC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000583689036 484460900 /nfs/dbraw/zinc/46/09/00/484460900.db2.gz PXQDKMWZUMNMTN-AAEUAGOBSA-N 1 0 357.388 -0.009 20 5 FBBDRO NC(=O)[C@H]1CC[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000583689037 484459782 /nfs/dbraw/zinc/45/97/82/484459782.db2.gz PXQDKMWZUMNMTN-DGCLKSJQSA-N 1 0 357.388 -0.009 20 5 FBBDRO NC(=O)[C@H]1CC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000583689038 484461077 /nfs/dbraw/zinc/46/10/77/484461077.db2.gz PXQDKMWZUMNMTN-WCQYABFASA-N 1 0 357.388 -0.009 20 5 FBBDRO NC(=O)[C@@H]1CC[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000583689039 484460273 /nfs/dbraw/zinc/46/02/73/484460273.db2.gz PXQDKMWZUMNMTN-YPMHNXCESA-N 1 0 357.388 -0.009 20 5 FBBDRO O=C1[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCN1CCO ZINC000583812766 483421872 /nfs/dbraw/zinc/42/18/72/483421872.db2.gz SXKPBVRLFIHAOQ-CHWSQXEVSA-N 1 0 353.375 -0.093 20 5 FBBDRO O=C1[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCN1CCO ZINC000583812767 483422766 /nfs/dbraw/zinc/42/27/66/483422766.db2.gz SXKPBVRLFIHAOQ-OLZOCXBDSA-N 1 0 353.375 -0.093 20 5 FBBDRO O=C1[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCN1CCO ZINC000583812768 483422397 /nfs/dbraw/zinc/42/23/97/483422397.db2.gz SXKPBVRLFIHAOQ-QWHCGFSZSA-N 1 0 353.375 -0.093 20 5 FBBDRO O=C1[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCN1CCO ZINC000583812769 483422693 /nfs/dbraw/zinc/42/26/93/483422693.db2.gz SXKPBVRLFIHAOQ-STQMWFEESA-N 1 0 353.375 -0.093 20 5 FBBDRO CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000583861789 483424218 /nfs/dbraw/zinc/42/42/18/483424218.db2.gz VIEWUMFOGICHPP-AWEZNQCLSA-N 1 0 363.422 -0.275 20 5 FBBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000583861790 483423741 /nfs/dbraw/zinc/42/37/41/483423741.db2.gz VIEWUMFOGICHPP-CQSZACIVSA-N 1 0 363.422 -0.275 20 5 FBBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000584243593 483428085 /nfs/dbraw/zinc/42/80/85/483428085.db2.gz LDSXXDMHNPJREG-GXTWGEPZSA-N 1 0 363.374 -0.073 20 5 FBBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000584243594 483427615 /nfs/dbraw/zinc/42/76/15/483427615.db2.gz LDSXXDMHNPJREG-JSGCOSHPSA-N 1 0 363.374 -0.073 20 5 FBBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000584243595 483427819 /nfs/dbraw/zinc/42/78/19/483427819.db2.gz LDSXXDMHNPJREG-OCCSQVGLSA-N 1 0 363.374 -0.073 20 5 FBBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000584243596 483427434 /nfs/dbraw/zinc/42/74/34/483427434.db2.gz LDSXXDMHNPJREG-TZMCWYRMSA-N 1 0 363.374 -0.073 20 5 FBBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000584291748 483428234 /nfs/dbraw/zinc/42/82/34/483428234.db2.gz FVOMJCUHHDAMNI-KGLIPLIRSA-N 1 0 355.391 -0.383 20 5 FBBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000584291749 483427878 /nfs/dbraw/zinc/42/78/78/483427878.db2.gz FVOMJCUHHDAMNI-ZIAGYGMSSA-N 1 0 355.391 -0.383 20 5 FBBDRO C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1O ZINC000584300928 483428042 /nfs/dbraw/zinc/42/80/42/483428042.db2.gz FCIXLIXSDYJXDP-SRVKXCTJSA-N 1 0 366.374 -0.074 20 5 FBBDRO C[NH+](C)[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1O ZINC000584300929 483427264 /nfs/dbraw/zinc/42/72/64/483427264.db2.gz FCIXLIXSDYJXDP-WOPDTQHZSA-N 1 0 366.374 -0.074 20 5 FBBDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000584400890 483429815 /nfs/dbraw/zinc/42/98/15/483429815.db2.gz CJRLZQYNLDUSLH-CYBMUJFWSA-N 1 0 364.406 -0.262 20 5 FBBDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000584400891 483430354 /nfs/dbraw/zinc/43/03/54/483430354.db2.gz CJRLZQYNLDUSLH-ZDUSSCGKSA-N 1 0 364.406 -0.262 20 5 FBBDRO Cc1cc(C(=O)NCC(=O)NCC(=O)N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000584408952 483431493 /nfs/dbraw/zinc/43/14/93/483431493.db2.gz LYKIZDBSKZGBJR-UHFFFAOYSA-N 1 0 363.374 -0.819 20 5 FBBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000585682872 484135889 /nfs/dbraw/zinc/13/58/89/484135889.db2.gz VGWXSIZTJHOADM-HNNXBMFYSA-N 1 0 361.402 -0.169 20 5 FBBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000585682873 484128441 /nfs/dbraw/zinc/12/84/41/484128441.db2.gz VGWXSIZTJHOADM-OAHLLOKOSA-N 1 0 361.402 -0.169 20 5 FBBDRO CN1CC[C@H]([NH+]2CCC(NC(=O)CCn3cc([N+](=O)[O-])cn3)CC2)C1=O ZINC000588858890 484585467 /nfs/dbraw/zinc/58/54/67/484585467.db2.gz XMVIDZXOPIFXTN-AWEZNQCLSA-N 1 0 364.406 -0.007 20 5 FBBDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)CCn3cc([N+](=O)[O-])cn3)CC2)C1=O ZINC000588858895 484585444 /nfs/dbraw/zinc/58/54/44/484585444.db2.gz XMVIDZXOPIFXTN-CQSZACIVSA-N 1 0 364.406 -0.007 20 5 FBBDRO C[NH+](C)C[C@@H](CO)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000588864786 484584328 /nfs/dbraw/zinc/58/43/28/484584328.db2.gz RHYXXMMXFJORGM-JTQLQIEISA-N 1 0 356.404 -0.176 20 5 FBBDRO C[NH+](C)C[C@H](CO)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000588864788 484584419 /nfs/dbraw/zinc/58/44/19/484584419.db2.gz RHYXXMMXFJORGM-SNVBAGLBSA-N 1 0 356.404 -0.176 20 5 FBBDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000588878922 484587157 /nfs/dbraw/zinc/58/71/57/484587157.db2.gz CFONCHCPGOXPOV-GFCCVEGCSA-N 1 0 368.394 -0.913 20 5 FBBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000588878937 484587067 /nfs/dbraw/zinc/58/70/67/484587067.db2.gz CFONCHCPGOXPOV-LBPRGKRZSA-N 1 0 368.394 -0.913 20 5 FBBDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1=O ZINC000588882015 484586854 /nfs/dbraw/zinc/58/68/54/484586854.db2.gz FDTIWZUYOTXPFT-LLVKDONJSA-N 1 0 353.379 -0.168 20 5 FBBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1=O ZINC000588882018 484587536 /nfs/dbraw/zinc/58/75/36/484587536.db2.gz FDTIWZUYOTXPFT-NSHDSACASA-N 1 0 353.379 -0.168 20 5 FBBDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1=O ZINC000588882276 484586883 /nfs/dbraw/zinc/58/68/83/484586883.db2.gz PXPIJXQZCCMUFC-GFCCVEGCSA-N 1 0 368.394 -0.913 20 5 FBBDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1=O ZINC000588882279 484587412 /nfs/dbraw/zinc/58/74/12/484587412.db2.gz PXPIJXQZCCMUFC-LBPRGKRZSA-N 1 0 368.394 -0.913 20 5 FBBDRO NC(=O)c1ccnc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000589571151 484202369 /nfs/dbraw/zinc/20/23/69/484202369.db2.gz NINSYMJSVOOFKW-JTQLQIEISA-N 1 0 350.379 0.088 20 5 FBBDRO NC(=O)c1ccnc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000589571154 484200165 /nfs/dbraw/zinc/20/01/65/484200165.db2.gz NINSYMJSVOOFKW-SNVBAGLBSA-N 1 0 350.379 0.088 20 5 FBBDRO C[NH+](C)C[C@@H](CO)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000590370017 484671630 /nfs/dbraw/zinc/67/16/30/484671630.db2.gz RBMFTQUPOLHXLM-JTQLQIEISA-N 1 0 352.347 -0.641 20 5 FBBDRO C[NH+](C)C[C@H](CO)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000590370022 484670605 /nfs/dbraw/zinc/67/06/05/484670605.db2.gz RBMFTQUPOLHXLM-SNVBAGLBSA-N 1 0 352.347 -0.641 20 5 FBBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000590371596 484671520 /nfs/dbraw/zinc/67/15/20/484671520.db2.gz OBSRDPCRSHPRKS-CYBMUJFWSA-N 1 0 350.375 -0.103 20 5 FBBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H](CO)C[NH+]1CCCC1 ZINC000590371599 484671445 /nfs/dbraw/zinc/67/14/45/484671445.db2.gz OBSRDPCRSHPRKS-ZDUSSCGKSA-N 1 0 350.375 -0.103 20 5 FBBDRO O=C(NCC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000590551036 483574035 /nfs/dbraw/zinc/57/40/35/483574035.db2.gz VBFSXIHEZMQGJZ-CABCVRRESA-N 1 0 362.386 -0.008 20 5 FBBDRO O=C(NCC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000590551038 484701529 /nfs/dbraw/zinc/70/15/29/484701529.db2.gz VBFSXIHEZMQGJZ-GJZGRUSLSA-N 1 0 362.386 -0.008 20 5 FBBDRO O=C(NCC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000590551040 484702152 /nfs/dbraw/zinc/70/21/52/484702152.db2.gz VBFSXIHEZMQGJZ-HUUCEWRRSA-N 1 0 362.386 -0.008 20 5 FBBDRO O=C(NCC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000590551043 484702000 /nfs/dbraw/zinc/70/20/00/484702000.db2.gz VBFSXIHEZMQGJZ-LSDHHAIUSA-N 1 0 362.386 -0.008 20 5 FBBDRO Cc1c(C(=O)N[C@@H](CO)C[NH+](C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000590551546 484703243 /nfs/dbraw/zinc/70/32/43/484703243.db2.gz ZMQJEQIOIIHNPN-SECBINFHSA-N 1 0 360.392 -0.797 20 5 FBBDRO Cc1c(C(=O)N[C@H](CO)C[NH+](C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000590551548 484703151 /nfs/dbraw/zinc/70/31/51/484703151.db2.gz ZMQJEQIOIIHNPN-VIFPVBQESA-N 1 0 360.392 -0.797 20 5 FBBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000590557383 484703749 /nfs/dbraw/zinc/70/37/49/484703749.db2.gz ANXUNTBGMSXHSS-BPNCWPANSA-N 1 0 350.375 -0.154 20 5 FBBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000590557384 484704068 /nfs/dbraw/zinc/70/40/68/484704068.db2.gz ANXUNTBGMSXHSS-SWHYSGLUSA-N 1 0 350.375 -0.154 20 5 FBBDRO C[NH+](C)[C@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1O ZINC000590586637 484714761 /nfs/dbraw/zinc/71/47/61/484714761.db2.gz PFSDGRDHKMVHGU-QWRGUYRKSA-N 1 0 373.387 -0.339 20 5 FBBDRO [NH3+]C/C=C/CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591347621 484802340 /nfs/dbraw/zinc/80/23/40/484802340.db2.gz XHNVIHVDUGFULF-OWOJBTEDSA-N 1 0 357.392 -0.313 20 5 FBBDRO [NH3+]C/C=C\CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591347622 484802913 /nfs/dbraw/zinc/80/29/13/484802913.db2.gz XHNVIHVDUGFULF-UPHRSURJSA-N 1 0 357.392 -0.313 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC[NH2+]C1CC1 ZINC000591347750 484802645 /nfs/dbraw/zinc/80/26/45/484802645.db2.gz GYQVOAKOGGNYKY-UHFFFAOYSA-N 1 0 371.419 -0.076 20 5 FBBDRO [NH3+]C/C=C/CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000591347883 484802782 /nfs/dbraw/zinc/80/27/82/484802782.db2.gz LWYQDEGWSHDUET-OWOJBTEDSA-N 1 0 357.392 -0.313 20 5 FBBDRO [NH3+]C/C=C\CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000591347884 484802391 /nfs/dbraw/zinc/80/23/91/484802391.db2.gz LWYQDEGWSHDUET-UPHRSURJSA-N 1 0 357.392 -0.313 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC[NH2+]C1CC1 ZINC000591347974 484802599 /nfs/dbraw/zinc/80/25/99/484802599.db2.gz MYPGLXBEHOTWNM-UHFFFAOYSA-N 1 0 371.419 -0.076 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC[NH2+]C1CC1 ZINC000591352587 484801997 /nfs/dbraw/zinc/80/19/97/484801997.db2.gz GRZTZQMWYMNFNU-UHFFFAOYSA-N 1 0 371.419 -0.076 20 5 FBBDRO [NH3+]C/C=C\CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000591352644 484802231 /nfs/dbraw/zinc/80/22/31/484802231.db2.gz YBMOFYDTFDTMIQ-ARJAWSKDSA-N 1 0 357.392 -0.313 20 5 FBBDRO [NH3+]C/C=C/CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000591352645 484802860 /nfs/dbraw/zinc/80/28/60/484802860.db2.gz YBMOFYDTFDTMIQ-ONEGZZNKSA-N 1 0 357.392 -0.313 20 5 FBBDRO C[C@@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000591361329 484803679 /nfs/dbraw/zinc/80/36/79/484803679.db2.gz URUBLJPFKPLUNF-LLVKDONJSA-N 1 0 371.419 -0.042 20 5 FBBDRO C[C@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000591361330 484803295 /nfs/dbraw/zinc/80/32/95/484803295.db2.gz URUBLJPFKPLUNF-NSHDSACASA-N 1 0 371.419 -0.042 20 5 FBBDRO C[C@@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000591361335 484803553 /nfs/dbraw/zinc/80/35/53/484803553.db2.gz VPFHYTLMXHVQOW-LLVKDONJSA-N 1 0 371.419 -0.042 20 5 FBBDRO C[C@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000591361336 484803874 /nfs/dbraw/zinc/80/38/74/484803874.db2.gz VPFHYTLMXHVQOW-NSHDSACASA-N 1 0 371.419 -0.042 20 5 FBBDRO C[C@@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000591361359 484802178 /nfs/dbraw/zinc/80/21/78/484802178.db2.gz XDNJGRUXULMBBY-LLVKDONJSA-N 1 0 371.419 -0.042 20 5 FBBDRO C[C@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000591361360 484802262 /nfs/dbraw/zinc/80/22/62/484802262.db2.gz XDNJGRUXULMBBY-NSHDSACASA-N 1 0 371.419 -0.042 20 5 FBBDRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000591418512 484805088 /nfs/dbraw/zinc/80/50/88/484805088.db2.gz ILYVBNDNUGHVQK-GFCCVEGCSA-N 1 0 362.390 -0.493 20 5 FBBDRO CC[NH2+]CCCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000591418560 484804914 /nfs/dbraw/zinc/80/49/14/484804914.db2.gz SRKPAUGCSCEFKK-UHFFFAOYSA-N 1 0 364.406 -0.246 20 5 FBBDRO O=C(NCC[NH2+]C1CC1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000591420976 484805110 /nfs/dbraw/zinc/80/51/10/484805110.db2.gz KEMWRXQDKBQQJE-UHFFFAOYSA-N 1 0 362.390 -0.493 20 5 FBBDRO O=C(NCC[NH2+]C1CC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000591421229 484805124 /nfs/dbraw/zinc/80/51/24/484805124.db2.gz WTZAWPTXLSOXOK-UHFFFAOYSA-N 1 0 362.390 -0.493 20 5 FBBDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000591582665 484823292 /nfs/dbraw/zinc/82/32/92/484823292.db2.gz PKDBPSGQUYQZFM-GFCCVEGCSA-N 1 0 362.390 -0.541 20 5 FBBDRO O=C(C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000591583089 484821946 /nfs/dbraw/zinc/82/19/46/484821946.db2.gz LQFZOPZDVSSRJW-OCCSQVGLSA-N 1 0 374.401 -0.541 20 5 FBBDRO CC1(C)C[NH2+][C@@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591669708 484843731 /nfs/dbraw/zinc/84/37/31/484843731.db2.gz WZPJEMXRPIPLLB-GFCCVEGCSA-N 1 0 356.404 -0.013 20 5 FBBDRO CC1(C)C[NH2+][C@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591669709 484843358 /nfs/dbraw/zinc/84/33/58/484843358.db2.gz WZPJEMXRPIPLLB-LBPRGKRZSA-N 1 0 356.404 -0.013 20 5 FBBDRO CC1(C)C[NH2+][C@@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000591672920 484843406 /nfs/dbraw/zinc/84/34/06/484843406.db2.gz VBSJJWXQNLRSRN-GFCCVEGCSA-N 1 0 356.404 -0.013 20 5 FBBDRO CC1(C)C[NH2+][C@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000591672921 484843741 /nfs/dbraw/zinc/84/37/41/484843741.db2.gz VBSJJWXQNLRSRN-LBPRGKRZSA-N 1 0 356.404 -0.013 20 5 FBBDRO [NH3+]CCCn1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nn1 ZINC000591674934 484843303 /nfs/dbraw/zinc/84/33/03/484843303.db2.gz AHICJEWGHJEVLU-UHFFFAOYSA-N 1 0 360.378 -0.108 20 5 FBBDRO CC1(C)C[NH2+][C@@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000591679145 484844799 /nfs/dbraw/zinc/84/47/99/484844799.db2.gz BNXWMEZCRWVYLO-GFCCVEGCSA-N 1 0 356.404 -0.013 20 5 FBBDRO CC1(C)C[NH2+][C@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000591679147 484845385 /nfs/dbraw/zinc/84/53/85/484845385.db2.gz BNXWMEZCRWVYLO-LBPRGKRZSA-N 1 0 356.404 -0.013 20 5 FBBDRO NS(=O)(=O)Cc1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000591732706 484854832 /nfs/dbraw/zinc/85/48/32/484854832.db2.gz BNLYJVMLBVMAMO-AWEZNQCLSA-N 1 0 369.403 -0.270 20 5 FBBDRO NS(=O)(=O)Cc1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000591732707 484854723 /nfs/dbraw/zinc/85/47/23/484854723.db2.gz BNLYJVMLBVMAMO-CQSZACIVSA-N 1 0 369.403 -0.270 20 5 FBBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(=O)N1c1cnn(C)c1 ZINC000591745539 484857181 /nfs/dbraw/zinc/85/71/81/484857181.db2.gz OIWQHKZDHCQITQ-DDTOSNHZSA-N 1 0 363.378 -0.331 20 5 FBBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(=O)N1c1cnn(C)c1 ZINC000591745540 484857609 /nfs/dbraw/zinc/85/76/09/484857609.db2.gz OIWQHKZDHCQITQ-HONMWMINSA-N 1 0 363.378 -0.331 20 5 FBBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(=O)N1c1cnn(C)c1 ZINC000591745541 484857138 /nfs/dbraw/zinc/85/71/38/484857138.db2.gz OIWQHKZDHCQITQ-LERXQTSPSA-N 1 0 363.378 -0.331 20 5 FBBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(=O)N1c1cnn(C)c1 ZINC000591745542 484857441 /nfs/dbraw/zinc/85/74/41/484857441.db2.gz OIWQHKZDHCQITQ-SWHYSGLUSA-N 1 0 363.378 -0.331 20 5 FBBDRO O=C1CCCN1C[C@H](O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591760465 484856860 /nfs/dbraw/zinc/85/68/60/484856860.db2.gz ITTMISYIQSBIPF-CYBMUJFWSA-N 1 0 371.415 -0.059 20 5 FBBDRO O=C1CCCN1C[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591760466 484857222 /nfs/dbraw/zinc/85/72/22/484857222.db2.gz ITTMISYIQSBIPF-ZDUSSCGKSA-N 1 0 371.415 -0.059 20 5 FBBDRO CS(=O)(=O)N1CC(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591761391 484856946 /nfs/dbraw/zinc/85/69/46/484856946.db2.gz GZYQFWCPLNULLO-GFCCVEGCSA-N 1 0 359.404 -0.185 20 5 FBBDRO CS(=O)(=O)N1CC(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591761397 484856880 /nfs/dbraw/zinc/85/68/80/484856880.db2.gz GZYQFWCPLNULLO-LBPRGKRZSA-N 1 0 359.404 -0.185 20 5 FBBDRO CS(=O)(=O)N1CC(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000591761476 484857071 /nfs/dbraw/zinc/85/70/71/484857071.db2.gz QCJHGGQRTOZITN-CYBMUJFWSA-N 1 0 359.404 -0.185 20 5 FBBDRO CS(=O)(=O)N1CC(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000591761478 484857019 /nfs/dbraw/zinc/85/70/19/484857019.db2.gz QCJHGGQRTOZITN-ZDUSSCGKSA-N 1 0 359.404 -0.185 20 5 FBBDRO [NH3+]CCOCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000591916781 484893331 /nfs/dbraw/zinc/89/33/31/484893331.db2.gz AAJXZYBCYOFUJB-UHFFFAOYSA-N 1 0 372.403 -0.597 20 5 FBBDRO [NH3+]CCOCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000591916932 484893006 /nfs/dbraw/zinc/89/30/06/484893006.db2.gz CXSKZDZSBSIFLG-UHFFFAOYSA-N 1 0 372.403 -0.597 20 5 FBBDRO CS(=O)(=O)c1ccc(NCCNC(=O)COCC[NH3+])c([N+](=O)[O-])c1 ZINC000591936475 484900993 /nfs/dbraw/zinc/90/09/93/484900993.db2.gz ZMQYJWMDZIPOSL-UHFFFAOYSA-N 1 0 360.392 -0.498 20 5 FBBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000591958161 484904783 /nfs/dbraw/zinc/90/47/83/484904783.db2.gz BILTXHDYSNPRCH-LLVKDONJSA-N 1 0 353.383 -0.447 20 5 FBBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000591958162 484904878 /nfs/dbraw/zinc/90/48/78/484904878.db2.gz BILTXHDYSNPRCH-NSHDSACASA-N 1 0 353.383 -0.447 20 5 FBBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000591981550 484912673 /nfs/dbraw/zinc/91/26/73/484912673.db2.gz CPAYPIMHHNGEHE-JTQLQIEISA-N 1 0 371.419 -0.202 20 5 FBBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000591981551 484912018 /nfs/dbraw/zinc/91/20/18/484912018.db2.gz CPAYPIMHHNGEHE-SNVBAGLBSA-N 1 0 371.419 -0.202 20 5 FBBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000591986268 484912564 /nfs/dbraw/zinc/91/25/64/484912564.db2.gz UELCHAXSKGKVBC-JTQLQIEISA-N 1 0 371.419 -0.202 20 5 FBBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000591986269 484911958 /nfs/dbraw/zinc/91/19/58/484911958.db2.gz UELCHAXSKGKVBC-SNVBAGLBSA-N 1 0 371.419 -0.202 20 5 FBBDRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000592007820 484915085 /nfs/dbraw/zinc/91/50/85/484915085.db2.gz LAKOKFZKRCNINZ-CYBMUJFWSA-N 1 0 362.390 -0.493 20 5 FBBDRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000592007821 484915527 /nfs/dbraw/zinc/91/55/27/484915527.db2.gz LAKOKFZKRCNINZ-ZDUSSCGKSA-N 1 0 362.390 -0.493 20 5 FBBDRO CCn1cc(S(=O)(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c([N+](=O)[O-])n1 ZINC000592082259 484930759 /nfs/dbraw/zinc/93/07/59/484930759.db2.gz JFPPCJXNROKQHP-JTQLQIEISA-N 1 0 374.423 -0.448 20 5 FBBDRO CCn1cc(S(=O)(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c([N+](=O)[O-])n1 ZINC000592082260 484930172 /nfs/dbraw/zinc/93/01/72/484930172.db2.gz JFPPCJXNROKQHP-SNVBAGLBSA-N 1 0 374.423 -0.448 20 5 FBBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000592083277 484930364 /nfs/dbraw/zinc/93/03/64/484930364.db2.gz SXWZLQLCFYQPEH-JTQLQIEISA-N 1 0 357.392 -0.270 20 5 FBBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000592083286 484930784 /nfs/dbraw/zinc/93/07/84/484930784.db2.gz SXWZLQLCFYQPEH-SNVBAGLBSA-N 1 0 357.392 -0.270 20 5 FBBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000592145475 484949285 /nfs/dbraw/zinc/94/92/85/484949285.db2.gz RWFOGRZERCMZFH-GHMZBOCLSA-N 1 0 356.404 -0.013 20 5 FBBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000592145476 484949315 /nfs/dbraw/zinc/94/93/15/484949315.db2.gz RWFOGRZERCMZFH-MNOVXSKESA-N 1 0 356.404 -0.013 20 5 FBBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000592145477 484949472 /nfs/dbraw/zinc/94/94/72/484949472.db2.gz RWFOGRZERCMZFH-QWRGUYRKSA-N 1 0 356.404 -0.013 20 5 FBBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000592145478 484949341 /nfs/dbraw/zinc/94/93/41/484949341.db2.gz RWFOGRZERCMZFH-WDEREUQCSA-N 1 0 356.404 -0.013 20 5 FBBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000592290980 484961125 /nfs/dbraw/zinc/96/11/25/484961125.db2.gz DFOMAGYCWDINOM-LLVKDONJSA-N 1 0 367.410 -0.625 20 5 FBBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000592290985 484960750 /nfs/dbraw/zinc/96/07/50/484960750.db2.gz DFOMAGYCWDINOM-NSHDSACASA-N 1 0 367.410 -0.625 20 5 FBBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)CN2c3cc([N+](=O)[O-])ccc3OCC2=O)CCO1 ZINC000592306650 484962038 /nfs/dbraw/zinc/96/20/38/484962038.db2.gz DQVCHULFBBCSQV-HZMBPMFUSA-N 1 0 364.358 -0.105 20 5 FBBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)CN2c3cc([N+](=O)[O-])ccc3OCC2=O)CCO1 ZINC000592306651 484962133 /nfs/dbraw/zinc/96/21/33/484962133.db2.gz DQVCHULFBBCSQV-IINYFYTJSA-N 1 0 364.358 -0.105 20 5 FBBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)CN2c3cc([N+](=O)[O-])ccc3OCC2=O)CCO1 ZINC000592306652 484962411 /nfs/dbraw/zinc/96/24/11/484962411.db2.gz DQVCHULFBBCSQV-QMTHXVAHSA-N 1 0 364.358 -0.105 20 5 FBBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CN2c3cc([N+](=O)[O-])ccc3OCC2=O)CCO1 ZINC000592306653 484961852 /nfs/dbraw/zinc/96/18/52/484961852.db2.gz DQVCHULFBBCSQV-YGRLFVJLSA-N 1 0 364.358 -0.105 20 5 FBBDRO CN1CC[NH2+]C[C@H]1CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592342262 484964701 /nfs/dbraw/zinc/96/47/01/484964701.db2.gz UMLPMACRWQGDLQ-JTQLQIEISA-N 1 0 369.809 -0.002 20 5 FBBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592342263 484964621 /nfs/dbraw/zinc/96/46/21/484964621.db2.gz UMLPMACRWQGDLQ-SNVBAGLBSA-N 1 0 369.809 -0.002 20 5 FBBDRO [NH3+]C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000592342882 484964955 /nfs/dbraw/zinc/96/49/55/484964955.db2.gz OFBSBWMHWZLRAW-GFCCVEGCSA-N 1 0 364.358 -0.104 20 5 FBBDRO [NH3+]C[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000592342886 484964884 /nfs/dbraw/zinc/96/48/84/484964884.db2.gz OFBSBWMHWZLRAW-LBPRGKRZSA-N 1 0 364.358 -0.104 20 5 FBBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000592366025 484966135 /nfs/dbraw/zinc/96/61/35/484966135.db2.gz NFOYCLPVSBSFNS-UHFFFAOYSA-N 1 0 372.403 -0.344 20 5 FBBDRO O=C(CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CC1 ZINC000592366074 484966542 /nfs/dbraw/zinc/96/65/42/484966542.db2.gz RBZJPILBPIQVRA-UHFFFAOYSA-N 1 0 356.404 -0.512 20 5 FBBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000592366156 484966653 /nfs/dbraw/zinc/96/66/53/484966653.db2.gz YBQAGJMHTNZJSE-UHFFFAOYSA-N 1 0 358.376 -0.687 20 5 FBBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](CO)CN2CCOCC2)c1 ZINC000592432139 484977093 /nfs/dbraw/zinc/97/70/93/484977093.db2.gz FPAUVFIHXMWKAR-DZGCQCFKSA-N 1 0 355.391 -0.383 20 5 FBBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](CO)CN2CCOCC2)c1 ZINC000592432140 484977405 /nfs/dbraw/zinc/97/74/05/484977405.db2.gz FPAUVFIHXMWKAR-HIFRSBDPSA-N 1 0 355.391 -0.383 20 5 FBBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](CO)CN2CCOCC2)c1 ZINC000592432141 484977248 /nfs/dbraw/zinc/97/72/48/484977248.db2.gz FPAUVFIHXMWKAR-UKRRQHHQSA-N 1 0 355.391 -0.383 20 5 FBBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](CO)CN2CCOCC2)c1 ZINC000592432142 484976949 /nfs/dbraw/zinc/97/69/49/484976949.db2.gz FPAUVFIHXMWKAR-ZFWWWQNUSA-N 1 0 355.391 -0.383 20 5 FBBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](CO)CN1CCOCC1 ZINC000592432218 484977329 /nfs/dbraw/zinc/97/73/29/484977329.db2.gz NWRUESGIVIWHNR-KBPBESRZSA-N 1 0 355.391 -0.383 20 5 FBBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](CO)CN1CCOCC1 ZINC000592432220 484977116 /nfs/dbraw/zinc/97/71/16/484977116.db2.gz NWRUESGIVIWHNR-KGLIPLIRSA-N 1 0 355.391 -0.383 20 5 FBBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](CO)CN1CCOCC1 ZINC000592432221 484976765 /nfs/dbraw/zinc/97/67/65/484976765.db2.gz NWRUESGIVIWHNR-UONOGXRCSA-N 1 0 355.391 -0.383 20 5 FBBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](CO)CN1CCOCC1 ZINC000592432222 484976649 /nfs/dbraw/zinc/97/66/49/484976649.db2.gz NWRUESGIVIWHNR-ZIAGYGMSSA-N 1 0 355.391 -0.383 20 5 FBBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000592464506 484978155 /nfs/dbraw/zinc/97/81/55/484978155.db2.gz SZFMBZVAMGEQEK-LLVKDONJSA-N 1 0 363.374 -0.739 20 5 FBBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000592464507 484978235 /nfs/dbraw/zinc/97/82/35/484978235.db2.gz SZFMBZVAMGEQEK-NSHDSACASA-N 1 0 363.374 -0.739 20 5 FBBDRO NS(=O)(=O)c1ccc(NCCC(=O)NCC[NH2+]C2CC2)c([N+](=O)[O-])c1 ZINC000592468309 484981236 /nfs/dbraw/zinc/98/12/36/484981236.db2.gz PWULEVPRHZFSGF-UHFFFAOYSA-N 1 0 371.419 -0.088 20 5 FBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC[C@H]1CC[NH2+]C1 ZINC000592468975 484980727 /nfs/dbraw/zinc/98/07/27/484980727.db2.gz SABVPMMSMVTLHF-LLVKDONJSA-N 1 0 356.404 -0.011 20 5 FBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC[C@@H]1CC[NH2+]C1 ZINC000592468976 484981033 /nfs/dbraw/zinc/98/10/33/484981033.db2.gz SABVPMMSMVTLHF-NSHDSACASA-N 1 0 356.404 -0.011 20 5 FBBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000592469172 484981079 /nfs/dbraw/zinc/98/10/79/484981079.db2.gz IRJLZYRHEVFBMV-UHFFFAOYSA-N 1 0 370.431 -0.025 20 5 FBBDRO Cc1cc(C(=O)NCC(=O)N(C)CCN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000592469569 484981943 /nfs/dbraw/zinc/98/19/43/484981943.db2.gz VBAMKSXVAAFNRL-UHFFFAOYSA-N 1 0 363.418 -0.003 20 5 FBBDRO CN(CCC[NH3+])C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000592471515 484979877 /nfs/dbraw/zinc/97/98/77/484979877.db2.gz SQPCVLDOZNINDH-UHFFFAOYSA-N 1 0 359.408 -0.149 20 5 FBBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592476334 484982919 /nfs/dbraw/zinc/98/29/19/484982919.db2.gz AEBOIVGTTGIDJR-BXUZGUMPSA-N 1 0 365.390 -0.031 20 5 FBBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592476336 484984924 /nfs/dbraw/zinc/98/49/24/484984924.db2.gz AEBOIVGTTGIDJR-FZMZJTMJSA-N 1 0 365.390 -0.031 20 5 FBBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592476338 484984570 /nfs/dbraw/zinc/98/45/70/484984570.db2.gz AEBOIVGTTGIDJR-RISCZKNCSA-N 1 0 365.390 -0.031 20 5 FBBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592476339 484984139 /nfs/dbraw/zinc/98/41/39/484984139.db2.gz AEBOIVGTTGIDJR-SMDDNHRTSA-N 1 0 365.390 -0.031 20 5 FBBDRO Cc1c(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000592476565 484984673 /nfs/dbraw/zinc/98/46/73/484984673.db2.gz JKSJVJARVPYRDX-NOZJJQNGSA-N 1 0 372.403 -0.261 20 5 FBBDRO Cc1c(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000592476964 484984473 /nfs/dbraw/zinc/98/44/73/484984473.db2.gz JKSJVJARVPYRDX-RNCFNFMXSA-N 1 0 372.403 -0.261 20 5 FBBDRO Cc1c(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000592476965 484984575 /nfs/dbraw/zinc/98/45/75/484984575.db2.gz JKSJVJARVPYRDX-TVQRCGJNSA-N 1 0 372.403 -0.261 20 5 FBBDRO Cc1c(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000592476966 484984520 /nfs/dbraw/zinc/98/45/20/484984520.db2.gz JKSJVJARVPYRDX-ZANVPECISA-N 1 0 372.403 -0.261 20 5 FBBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000592477151 484984074 /nfs/dbraw/zinc/98/40/74/484984074.db2.gz OYUQJMCPSJQLPQ-CMPLNLGQSA-N 1 0 372.403 -0.552 20 5 FBBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000592477152 484984323 /nfs/dbraw/zinc/98/43/23/484984323.db2.gz OYUQJMCPSJQLPQ-JQWIXIFHSA-N 1 0 372.403 -0.552 20 5 FBBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000592477153 484984889 /nfs/dbraw/zinc/98/48/89/484984889.db2.gz OYUQJMCPSJQLPQ-PWSUYJOCSA-N 1 0 372.403 -0.552 20 5 FBBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000592477154 484984091 /nfs/dbraw/zinc/98/40/91/484984091.db2.gz OYUQJMCPSJQLPQ-ZYHUDNBSSA-N 1 0 372.403 -0.552 20 5 FBBDRO [NH3+]CCOCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000592477906 484984652 /nfs/dbraw/zinc/98/46/52/484984652.db2.gz PGQMTIIJWMCMMY-UHFFFAOYSA-N 1 0 372.403 -0.597 20 5 FBBDRO CS(=O)(=O)c1ccc(NCCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC000592480929 484984181 /nfs/dbraw/zinc/98/41/81/484984181.db2.gz PCGZZDUIUVJNFO-YABSGUDNSA-N 1 0 368.415 -0.008 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000592504993 484988469 /nfs/dbraw/zinc/98/84/69/484988469.db2.gz IHQLUYWQKMNHAK-ITGUQSILSA-N 1 0 354.388 -0.545 20 5 FBBDRO CC1(OCC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[NH2+]C1 ZINC000592505353 484989034 /nfs/dbraw/zinc/98/90/34/484989034.db2.gz QVYPIMOGFWBOBL-UHFFFAOYSA-N 1 0 372.403 -0.632 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000592505589 484988745 /nfs/dbraw/zinc/98/87/45/484988745.db2.gz WLQZUFFZNWAOBS-WQAKAFBOSA-N 1 0 354.388 -0.260 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000592508989 484990613 /nfs/dbraw/zinc/99/06/13/484990613.db2.gz CHTWNFDYPUYPIC-ITGUQSILSA-N 1 0 354.388 -0.545 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000592509016 484991005 /nfs/dbraw/zinc/99/10/05/484991005.db2.gz FAHDYTNPUAVSNQ-WQAKAFBOSA-N 1 0 354.388 -0.260 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000592535999 484995936 /nfs/dbraw/zinc/99/59/36/484995936.db2.gz CORDVDUOANKSQX-IWIIMEHWSA-N 1 0 354.388 -0.545 20 5 FBBDRO CC1(OCC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[NH2+]C1 ZINC000592536307 484995870 /nfs/dbraw/zinc/99/58/70/484995870.db2.gz KJDZMFUNURNOJL-UHFFFAOYSA-N 1 0 372.403 -0.632 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000592536805 484995800 /nfs/dbraw/zinc/99/58/00/484995800.db2.gz XNBQZZWNCITZFB-MXWKQRLJSA-N 1 0 354.388 -0.260 20 5 FBBDRO Cc1c(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000592555250 484997325 /nfs/dbraw/zinc/99/73/25/484997325.db2.gz QONUXZPVXXHBJF-IUCAKERBSA-N 1 0 360.367 -0.020 20 5 FBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000592555353 484996866 /nfs/dbraw/zinc/99/68/66/484996866.db2.gz XLGNARYMIXIPIG-UWVGGRQHSA-N 1 0 360.367 -0.311 20 5 FBBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000592872297 485020448 /nfs/dbraw/zinc/02/04/48/485020448.db2.gz LOZYDOKETUGDEF-LLVKDONJSA-N 1 0 351.363 -0.665 20 5 FBBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000592872300 485020214 /nfs/dbraw/zinc/02/02/14/485020214.db2.gz LOZYDOKETUGDEF-NSHDSACASA-N 1 0 351.363 -0.665 20 5 FBBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000592872836 485020612 /nfs/dbraw/zinc/02/06/12/485020612.db2.gz MGZDGAFNLXMELW-LLVKDONJSA-N 1 0 351.363 -0.665 20 5 FBBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000592872837 485020468 /nfs/dbraw/zinc/02/04/68/485020468.db2.gz MGZDGAFNLXMELW-NSHDSACASA-N 1 0 351.363 -0.665 20 5 FBBDRO C[NH+](C)CCN1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1=O ZINC000593234214 485078882 /nfs/dbraw/zinc/07/88/82/485078882.db2.gz HBHOFMDLSIQNBP-UHFFFAOYSA-N 1 0 352.395 -0.241 20 5 FBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593235233 485080075 /nfs/dbraw/zinc/08/00/75/485080075.db2.gz PLNJULUDRRNFRA-UHFFFAOYSA-N 1 0 352.395 -0.278 20 5 FBBDRO C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000593254298 485082955 /nfs/dbraw/zinc/08/29/55/485082955.db2.gz XZXKNPZGOUVOSL-UHFFFAOYSA-N 1 0 363.374 -0.234 20 5 FBBDRO C[NH+](C)CCN1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1=O ZINC000593381635 485110099 /nfs/dbraw/zinc/11/00/99/485110099.db2.gz LFWVADORUUYEJO-UHFFFAOYSA-N 1 0 353.383 -0.793 20 5 FBBDRO C[NH+](C)CCN1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1=O ZINC000593485970 485124153 /nfs/dbraw/zinc/12/41/53/485124153.db2.gz DTKJHYIAIWAWQB-UHFFFAOYSA-N 1 0 371.419 -0.548 20 5 FBBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(CC[NH+](C)C)C(=O)C2)n1 ZINC000593486073 485124666 /nfs/dbraw/zinc/12/46/66/485124666.db2.gz JFRPFGXSMITCQY-UHFFFAOYSA-N 1 0 351.363 -0.013 20 5 FBBDRO C[NH+](C)CCN1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1=O ZINC000593486091 485124338 /nfs/dbraw/zinc/12/43/38/485124338.db2.gz JYLINBHLHBZIPY-UHFFFAOYSA-N 1 0 371.419 -0.548 20 5 FBBDRO C[NH+](C)CCN1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1=O ZINC000593486381 485124188 /nfs/dbraw/zinc/12/41/88/485124188.db2.gz UZIMHYFGCRYRIN-UHFFFAOYSA-N 1 0 371.419 -0.548 20 5 FBBDRO C[NH+](C)CCN1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1=O ZINC000593486393 485124416 /nfs/dbraw/zinc/12/44/16/485124416.db2.gz VMGAMVCFBDRUBM-UHFFFAOYSA-N 1 0 371.419 -0.548 20 5 FBBDRO COC(=O)c1cnc(N2CCN(CC[NH+](C)C)C(=O)C2)c([N+](=O)[O-])c1 ZINC000593486422 485124592 /nfs/dbraw/zinc/12/45/92/485124592.db2.gz WVNDSCGWSJERCD-UHFFFAOYSA-N 1 0 351.363 -0.013 20 5 FBBDRO C[NH+](C)CCN1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1=O ZINC000593486499 485124264 /nfs/dbraw/zinc/12/42/64/485124264.db2.gz ZODPSHBLXCYVSD-UHFFFAOYSA-N 1 0 371.419 -0.548 20 5 FBBDRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593530284 485137124 /nfs/dbraw/zinc/13/71/24/485137124.db2.gz JHLRLISMHHTBCJ-UHFFFAOYSA-N 1 0 357.392 -0.616 20 5 FBBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593540231 485140559 /nfs/dbraw/zinc/14/05/59/485140559.db2.gz OYZARYKYWUIICU-LLVKDONJSA-N 1 0 371.419 -0.145 20 5 FBBDRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593540232 485140047 /nfs/dbraw/zinc/14/00/47/485140047.db2.gz OYZARYKYWUIICU-NSHDSACASA-N 1 0 371.419 -0.145 20 5 FBBDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593553769 485143070 /nfs/dbraw/zinc/14/30/70/485143070.db2.gz PMIHDRVOFROFEC-UHFFFAOYSA-N 1 0 362.408 -0.449 20 5 FBBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593613814 485154239 /nfs/dbraw/zinc/15/42/39/485154239.db2.gz QRUGSDAWFOYLKK-JTQLQIEISA-N 1 0 357.392 -0.270 20 5 FBBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593613815 485153912 /nfs/dbraw/zinc/15/39/12/485153912.db2.gz QRUGSDAWFOYLKK-SNVBAGLBSA-N 1 0 357.392 -0.270 20 5 FBBDRO C[NH+](C)CCN1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1=O ZINC000593620539 485155465 /nfs/dbraw/zinc/15/54/65/485155465.db2.gz BJMCUTMGIMNVNW-UHFFFAOYSA-N 1 0 357.392 -0.616 20 5 FBBDRO C[NH+](C)CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000593620706 485154680 /nfs/dbraw/zinc/15/46/80/485154680.db2.gz FBLLKLWOKJTLEA-UHFFFAOYSA-N 1 0 356.404 -0.011 20 5 FBBDRO CCn1cc(S(=O)(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c([N+](=O)[O-])n1 ZINC000593621279 485154654 /nfs/dbraw/zinc/15/46/54/485154654.db2.gz GVLUEKBAFIBSCY-UHFFFAOYSA-N 1 0 374.423 -0.794 20 5 FBBDRO C[NH+](C)CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000593623185 485155288 /nfs/dbraw/zinc/15/52/88/485155288.db2.gz XICWNPMCGVBVCK-UHFFFAOYSA-N 1 0 356.404 -0.011 20 5 FBBDRO C[NH+](C)CCN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O ZINC000593623190 485155135 /nfs/dbraw/zinc/15/51/35/485155135.db2.gz XLHYILMEDRRQEE-UHFFFAOYSA-N 1 0 356.404 -0.011 20 5 FBBDRO C[NH+](C)CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1=O ZINC000593626111 485158063 /nfs/dbraw/zinc/15/80/63/485158063.db2.gz ONUWBIAJCLLPIA-UHFFFAOYSA-N 1 0 357.392 -0.616 20 5 FBBDRO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000593856031 485194422 /nfs/dbraw/zinc/19/44/22/485194422.db2.gz UTDDHHAYZYVJLS-LLVKDONJSA-N 1 0 374.353 -0.532 20 5 FBBDRO C[NH+](C)CC[C@@H](N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593903683 485205513 /nfs/dbraw/zinc/20/55/13/485205513.db2.gz JXEKTZWBCZRBLV-CYBMUJFWSA-N 1 0 373.435 -0.732 20 5 FBBDRO C[NH+](C)CC[C@H](N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593903684 485204753 /nfs/dbraw/zinc/20/47/53/485204753.db2.gz JXEKTZWBCZRBLV-ZDUSSCGKSA-N 1 0 373.435 -0.732 20 5 FBBDRO C[NH+](C)CC[C@@H](N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000593904430 485205322 /nfs/dbraw/zinc/20/53/22/485205322.db2.gz WOLDCBZNPBKTRU-CYBMUJFWSA-N 1 0 373.435 -0.732 20 5 FBBDRO C[NH+](C)CC[C@H](N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000593904431 485206524 /nfs/dbraw/zinc/20/65/24/485206524.db2.gz WOLDCBZNPBKTRU-ZDUSSCGKSA-N 1 0 373.435 -0.732 20 5 FBBDRO C[NH+](C)CC[C@@H](N)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000593909981 485205968 /nfs/dbraw/zinc/20/59/68/485205968.db2.gz PCHRLBGYAQMJEQ-LLVKDONJSA-N 1 0 373.435 -0.732 20 5 FBBDRO C[NH+](C)CC[C@H](N)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000593909982 485205994 /nfs/dbraw/zinc/20/59/94/485205994.db2.gz PCHRLBGYAQMJEQ-NSHDSACASA-N 1 0 373.435 -0.732 20 5 FBBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000594262594 484551169 /nfs/dbraw/zinc/55/11/69/484551169.db2.gz RMWSIWMWZAVKQK-GFCCVEGCSA-N 1 0 362.390 0.126 20 5 FBBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000594262595 484550336 /nfs/dbraw/zinc/55/03/36/484550336.db2.gz RMWSIWMWZAVKQK-LBPRGKRZSA-N 1 0 362.390 0.126 20 5 FBBDRO Nc1nccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000594299320 484531442 /nfs/dbraw/zinc/53/14/42/484531442.db2.gz IXHZXTYFHVYESU-GFCCVEGCSA-N 1 0 364.406 -0.292 20 5 FBBDRO Nc1nccc(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000594299321 484531342 /nfs/dbraw/zinc/53/13/42/484531342.db2.gz IXHZXTYFHVYESU-LBPRGKRZSA-N 1 0 364.406 -0.292 20 5 FBBDRO COc1ccc(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594316041 485260760 /nfs/dbraw/zinc/26/07/60/485260760.db2.gz QQTOYBBVFAQMCO-NWDGAFQWSA-N 1 0 364.358 -0.181 20 5 FBBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594316175 485261223 /nfs/dbraw/zinc/26/12/23/485261223.db2.gz FDBVPFMIKMUMQS-NWDGAFQWSA-N 1 0 364.358 -0.181 20 5 FBBDRO CNc1nccc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000594374443 484208053 /nfs/dbraw/zinc/20/80/53/484208053.db2.gz RAXUNMNNNCMUSY-JTQLQIEISA-N 1 0 350.379 0.224 20 5 FBBDRO CNc1nccc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000594374444 484207794 /nfs/dbraw/zinc/20/77/94/484207794.db2.gz RAXUNMNNNCMUSY-SNVBAGLBSA-N 1 0 350.379 0.224 20 5 FBBDRO CNc1nccc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000594377915 484205837 /nfs/dbraw/zinc/20/58/37/484205837.db2.gz XFYWSBJIXHIWHT-UHFFFAOYSA-N 1 0 350.379 -0.123 20 5 FBBDRO CS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594386185 485272625 /nfs/dbraw/zinc/27/26/25/485272625.db2.gz MTEVZKFTKCWQBH-WDEREUQCSA-N 1 0 369.399 -0.111 20 5 FBBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594391619 485276657 /nfs/dbraw/zinc/27/66/57/485276657.db2.gz ATDBOBSDJRJUMR-LSDHHAIUSA-N 1 0 362.386 -0.008 20 5 FBBDRO Cc1cc(C(=O)NCC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594392454 485277403 /nfs/dbraw/zinc/27/74/03/485277403.db2.gz GTSIAYGQZCMDIK-UONOGXRCSA-N 1 0 362.386 -0.090 20 5 FBBDRO CS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594392526 485277476 /nfs/dbraw/zinc/27/74/76/485277476.db2.gz HJHMUJNRLHEXJS-NWDGAFQWSA-N 1 0 369.399 -0.111 20 5 FBBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393460 485277965 /nfs/dbraw/zinc/27/79/65/485277965.db2.gz NSAQJDJRYAJLQS-BYCMXARLSA-N 1 0 362.386 -0.010 20 5 FBBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393461 485277626 /nfs/dbraw/zinc/27/76/26/485277626.db2.gz NSAQJDJRYAJLQS-TUKIKUTGSA-N 1 0 362.386 -0.010 20 5 FBBDRO CS(=O)(=O)c1cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000594394218 485278089 /nfs/dbraw/zinc/27/80/89/485278089.db2.gz VJMOOCPNUBEBJM-QWHCGFSZSA-N 1 0 369.399 -0.111 20 5 FBBDRO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594394223 485277880 /nfs/dbraw/zinc/27/78/80/485277880.db2.gz VLRXQGLPBAMSGT-WDEREUQCSA-N 1 0 374.353 -0.532 20 5 FBBDRO CNS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594604249 483918500 /nfs/dbraw/zinc/91/85/00/483918500.db2.gz VBXCIEJPVFJSRM-WDEREUQCSA-N 1 0 356.404 -0.242 20 5 FBBDRO Cc1c(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000594623756 483919924 /nfs/dbraw/zinc/91/99/24/483919924.db2.gz UQOYIMQNVUOFHL-UONOGXRCSA-N 1 0 362.386 -0.203 20 5 FBBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)s1 ZINC000594694204 483928108 /nfs/dbraw/zinc/92/81/08/483928108.db2.gz FYOVWPIWWPAMPV-HTQZYQBOSA-N 1 0 360.417 -0.192 20 5 FBBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)s1 ZINC000594694205 483927361 /nfs/dbraw/zinc/92/73/61/483927361.db2.gz FYOVWPIWWPAMPV-JGVFFNPUSA-N 1 0 360.417 -0.192 20 5 FBBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)s1 ZINC000594694206 483927606 /nfs/dbraw/zinc/92/76/06/483927606.db2.gz FYOVWPIWWPAMPV-SFYZADRCSA-N 1 0 360.417 -0.192 20 5 FBBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)s1 ZINC000594694207 483927199 /nfs/dbraw/zinc/92/71/99/483927199.db2.gz FYOVWPIWWPAMPV-YUMQZZPRSA-N 1 0 360.417 -0.192 20 5 FBBDRO Cn1c2cc([N+](=O)[O-])c(N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cc2n(C)c1=O ZINC000594700852 483929272 /nfs/dbraw/zinc/92/92/72/483929272.db2.gz FTCGAEAMJIVUHG-NXEZZACHSA-N 1 0 360.374 -0.467 20 5 FBBDRO Cn1c2cc([N+](=O)[O-])c(N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)cc2n(C)c1=O ZINC000594700869 483929016 /nfs/dbraw/zinc/92/90/16/483929016.db2.gz FTCGAEAMJIVUHG-UWVGGRQHSA-N 1 0 360.374 -0.467 20 5 FBBDRO Cn1c2cc([N+](=O)[O-])c(N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cc2n(C)c1=O ZINC000594700870 483929237 /nfs/dbraw/zinc/92/92/37/483929237.db2.gz FTCGAEAMJIVUHG-VHSXEESVSA-N 1 0 360.374 -0.467 20 5 FBBDRO Cn1c2cc([N+](=O)[O-])c(N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)cc2n(C)c1=O ZINC000594700871 483928912 /nfs/dbraw/zinc/92/89/12/483928912.db2.gz FTCGAEAMJIVUHG-ZJUUUORDSA-N 1 0 360.374 -0.467 20 5 FBBDRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594749363 483938053 /nfs/dbraw/zinc/93/80/53/483938053.db2.gz SNKNZJWVYSTHHB-UHFFFAOYSA-N 1 0 357.392 -0.616 20 5 FBBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594753697 483937831 /nfs/dbraw/zinc/93/78/31/483937831.db2.gz WEEXHDMGNIAETA-LLVKDONJSA-N 1 0 371.419 -0.145 20 5 FBBDRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594753698 483937792 /nfs/dbraw/zinc/93/77/92/483937792.db2.gz WEEXHDMGNIAETA-NSHDSACASA-N 1 0 371.419 -0.145 20 5 FBBDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761891 483942255 /nfs/dbraw/zinc/94/22/55/483942255.db2.gz LQZRSOWSTBJYJE-UHFFFAOYSA-N 1 0 362.408 -0.449 20 5 FBBDRO C[NH+](C)CCN1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1=O ZINC000594792844 483956642 /nfs/dbraw/zinc/95/66/42/483956642.db2.gz CCUAZTIHUNEJRX-UHFFFAOYSA-N 1 0 357.392 -0.616 20 5 FBBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594797656 483958211 /nfs/dbraw/zinc/95/82/11/483958211.db2.gz XKBRGCHGOHOCEY-JTQLQIEISA-N 1 0 357.392 -0.270 20 5 FBBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594797659 483957477 /nfs/dbraw/zinc/95/74/77/483957477.db2.gz XKBRGCHGOHOCEY-SNVBAGLBSA-N 1 0 357.392 -0.270 20 5 FBBDRO CCn1cc(S(=O)(=O)NCCN(C)CCC[NH+](C)C)c([N+](=O)[O-])n1 ZINC000594822238 483965327 /nfs/dbraw/zinc/96/53/27/483965327.db2.gz TUQIOCUAFJICQF-UHFFFAOYSA-N 1 0 362.456 -0.027 20 5 FBBDRO Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594874553 483978391 /nfs/dbraw/zinc/97/83/91/483978391.db2.gz AMVBJHAAZWHWPA-CMPLNLGQSA-N 1 0 354.388 -0.164 20 5 FBBDRO Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594874554 483977273 /nfs/dbraw/zinc/97/72/73/483977273.db2.gz AMVBJHAAZWHWPA-JQWIXIFHSA-N 1 0 354.388 -0.164 20 5 FBBDRO Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000594874555 483977678 /nfs/dbraw/zinc/97/76/78/483977678.db2.gz AMVBJHAAZWHWPA-PWSUYJOCSA-N 1 0 354.388 -0.164 20 5 FBBDRO Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000594874556 483977545 /nfs/dbraw/zinc/97/75/45/483977545.db2.gz AMVBJHAAZWHWPA-ZYHUDNBSSA-N 1 0 354.388 -0.164 20 5 FBBDRO COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594874713 483977859 /nfs/dbraw/zinc/97/78/59/483977859.db2.gz QBJHKJZZECDMPJ-GXSJLCMTSA-N 1 0 370.387 -0.464 20 5 FBBDRO COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000594874714 483978254 /nfs/dbraw/zinc/97/82/54/483978254.db2.gz QBJHKJZZECDMPJ-KOLCDFICSA-N 1 0 370.387 -0.464 20 5 FBBDRO COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000594874715 483978115 /nfs/dbraw/zinc/97/81/15/483978115.db2.gz QBJHKJZZECDMPJ-MWLCHTKSSA-N 1 0 370.387 -0.464 20 5 FBBDRO COc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594874716 483978047 /nfs/dbraw/zinc/97/80/47/483978047.db2.gz QBJHKJZZECDMPJ-ONGXEEELSA-N 1 0 370.387 -0.464 20 5 FBBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594875309 483978020 /nfs/dbraw/zinc/97/80/20/483978020.db2.gz NIULVMVLDXGUBB-NXEZZACHSA-N 1 0 370.387 -0.464 20 5 FBBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594875310 483977972 /nfs/dbraw/zinc/97/79/72/483977972.db2.gz NIULVMVLDXGUBB-UWVGGRQHSA-N 1 0 370.387 -0.464 20 5 FBBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594875311 483978072 /nfs/dbraw/zinc/97/80/72/483978072.db2.gz NIULVMVLDXGUBB-VHSXEESVSA-N 1 0 370.387 -0.464 20 5 FBBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594875312 483977724 /nfs/dbraw/zinc/97/77/24/483977724.db2.gz NIULVMVLDXGUBB-ZJUUUORDSA-N 1 0 370.387 -0.464 20 5 FBBDRO COc1cc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594875756 483978155 /nfs/dbraw/zinc/97/81/55/483978155.db2.gz YKRHWZGWTREHCL-GXSJLCMTSA-N 1 0 370.387 -0.464 20 5 FBBDRO COc1cc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000594875758 483979968 /nfs/dbraw/zinc/97/99/68/483979968.db2.gz YKRHWZGWTREHCL-KOLCDFICSA-N 1 0 370.387 -0.464 20 5 FBBDRO COc1cc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000594875759 483979546 /nfs/dbraw/zinc/97/95/46/483979546.db2.gz YKRHWZGWTREHCL-MWLCHTKSSA-N 1 0 370.387 -0.464 20 5 FBBDRO COc1cc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594875760 483979544 /nfs/dbraw/zinc/97/95/44/483979544.db2.gz YKRHWZGWTREHCL-ONGXEEELSA-N 1 0 370.387 -0.464 20 5 FBBDRO [NH3+]CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000595104558 484002380 /nfs/dbraw/zinc/00/23/80/484002380.db2.gz JYSNWKVVWSDKED-JTQLQIEISA-N 1 0 357.392 -0.535 20 5 FBBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000595104559 484002232 /nfs/dbraw/zinc/00/22/32/484002232.db2.gz JYSNWKVVWSDKED-SNVBAGLBSA-N 1 0 357.392 -0.535 20 5 FBBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595109282 484001284 /nfs/dbraw/zinc/00/12/84/484001284.db2.gz YBQZNOMHYFOSKJ-LLVKDONJSA-N 1 0 371.419 -0.002 20 5 FBBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595109289 484002282 /nfs/dbraw/zinc/00/22/82/484002282.db2.gz YBQZNOMHYFOSKJ-NSHDSACASA-N 1 0 371.419 -0.002 20 5 FBBDRO CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595174299 484013807 /nfs/dbraw/zinc/01/38/07/484013807.db2.gz RYYYRJRMUWCTON-UHFFFAOYSA-N 1 0 364.406 -0.025 20 5 FBBDRO Cc1c(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000595242308 484023619 /nfs/dbraw/zinc/02/36/19/484023619.db2.gz RYYGNGMMFKFSPQ-GHMZBOCLSA-N 1 0 361.358 -0.388 20 5 FBBDRO Cc1c(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000595242309 484023876 /nfs/dbraw/zinc/02/38/76/484023876.db2.gz RYYGNGMMFKFSPQ-MNOVXSKESA-N 1 0 361.358 -0.388 20 5 FBBDRO Cc1c(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595242310 484024161 /nfs/dbraw/zinc/02/41/61/484024161.db2.gz RYYGNGMMFKFSPQ-QWRGUYRKSA-N 1 0 361.358 -0.388 20 5 FBBDRO Cc1c(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595242311 484023727 /nfs/dbraw/zinc/02/37/27/484023727.db2.gz RYYGNGMMFKFSPQ-WDEREUQCSA-N 1 0 361.358 -0.388 20 5 FBBDRO CC(C)OC[C@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595248953 483723866 /nfs/dbraw/zinc/72/38/66/483723866.db2.gz KFMMJEYMGLKCRO-ZDUSSCGKSA-N 1 0 374.419 -0.258 20 5 FBBDRO CC(C)OC[C@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595252640 484026944 /nfs/dbraw/zinc/02/69/44/484026944.db2.gz DBVNPGPGZLIVIC-NSHDSACASA-N 1 0 374.419 -0.258 20 5 FBBDRO CC(C)OC[C@H]([NH3+])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595253814 484027484 /nfs/dbraw/zinc/02/74/84/484027484.db2.gz OZQGWMXHQQGSFR-ZDUSSCGKSA-N 1 0 374.419 -0.258 20 5 FBBDRO [NH3+]CCn1cc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000595254496 484025477 /nfs/dbraw/zinc/02/54/77/484025477.db2.gz XZBDRDPMLFKRPL-UHFFFAOYSA-N 1 0 373.373 -0.257 20 5 FBBDRO C[NH2+]C[C@H](C)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595262461 484027743 /nfs/dbraw/zinc/02/77/43/484027743.db2.gz LHNWXUZUWSLYDU-JTQLQIEISA-N 1 0 359.408 -0.220 20 5 FBBDRO C[NH2+]C[C@@H](C)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595262463 484027892 /nfs/dbraw/zinc/02/78/92/484027892.db2.gz LHNWXUZUWSLYDU-SNVBAGLBSA-N 1 0 359.408 -0.220 20 5 FBBDRO C[NH2+]C[C@H](C)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595263622 484027601 /nfs/dbraw/zinc/02/76/01/484027601.db2.gz HTHZBIINGNWNRL-JTQLQIEISA-N 1 0 359.408 -0.220 20 5 FBBDRO C[NH2+]C[C@@H](C)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595263623 484027155 /nfs/dbraw/zinc/02/71/55/484027155.db2.gz HTHZBIINGNWNRL-SNVBAGLBSA-N 1 0 359.408 -0.220 20 5 FBBDRO C[NH2+]C[C@H](C)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595264265 484027759 /nfs/dbraw/zinc/02/77/59/484027759.db2.gz RCLFGCYKYYWANC-JTQLQIEISA-N 1 0 359.408 -0.220 20 5 FBBDRO C[NH2+]C[C@@H](C)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595264266 484027352 /nfs/dbraw/zinc/02/73/52/484027352.db2.gz RCLFGCYKYYWANC-SNVBAGLBSA-N 1 0 359.408 -0.220 20 5 FBBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000595276178 484026860 /nfs/dbraw/zinc/02/68/60/484026860.db2.gz KEKULNWWKQLQTI-JTQLQIEISA-N 1 0 368.390 -0.005 20 5 FBBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000595276179 484026832 /nfs/dbraw/zinc/02/68/32/484026832.db2.gz KEKULNWWKQLQTI-SNVBAGLBSA-N 1 0 368.390 -0.005 20 5 FBBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595278040 484029182 /nfs/dbraw/zinc/02/91/82/484029182.db2.gz BHOANHPWQDRXHJ-UHFFFAOYSA-N 1 0 358.358 -0.045 20 5 FBBDRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595278093 484028396 /nfs/dbraw/zinc/02/83/96/484028396.db2.gz JMTIVDWZZPXOCD-UHFFFAOYSA-N 1 0 374.401 -0.493 20 5 FBBDRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000595278899 484028936 /nfs/dbraw/zinc/02/89/36/484028936.db2.gz STNIQHZYJLHWLG-UHFFFAOYSA-N 1 0 374.401 -0.493 20 5 FBBDRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595278912 484029189 /nfs/dbraw/zinc/02/91/89/484029189.db2.gz SYAFWUQXELCIKF-UHFFFAOYSA-N 1 0 362.390 -0.177 20 5 FBBDRO [NH3+][C@@H]1CN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[C@H]1F ZINC000595279399 484029300 /nfs/dbraw/zinc/02/93/00/484029300.db2.gz KXHWYGXQGUKWEU-NXEZZACHSA-N 1 0 364.337 -0.015 20 5 FBBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000595280927 484029407 /nfs/dbraw/zinc/02/94/07/484029407.db2.gz FPDGESGABKAWJB-LLVKDONJSA-N 1 0 350.379 -0.638 20 5 FBBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000595280929 484029052 /nfs/dbraw/zinc/02/90/52/484029052.db2.gz FPDGESGABKAWJB-NSHDSACASA-N 1 0 350.379 -0.638 20 5 FBBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595281082 484028745 /nfs/dbraw/zinc/02/87/45/484028745.db2.gz ICLUEBBPUMBNJS-LLVKDONJSA-N 1 0 350.379 -0.638 20 5 FBBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595281083 484030106 /nfs/dbraw/zinc/03/01/06/484030106.db2.gz ICLUEBBPUMBNJS-NSHDSACASA-N 1 0 350.379 -0.638 20 5 FBBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CNC(=O)C1 ZINC000595547870 484069778 /nfs/dbraw/zinc/06/97/78/484069778.db2.gz XQQGCMYALZFTDJ-LLVKDONJSA-N 1 0 356.404 -0.059 20 5 FBBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CNC(=O)C1 ZINC000595547882 484070540 /nfs/dbraw/zinc/07/05/40/484070540.db2.gz XQQGCMYALZFTDJ-NSHDSACASA-N 1 0 356.404 -0.059 20 5 FBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000595889612 484118250 /nfs/dbraw/zinc/11/82/50/484118250.db2.gz AFZFAFDMSCEECY-AWEZNQCLSA-N 1 0 370.431 -0.111 20 5 FBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000595889614 484118477 /nfs/dbraw/zinc/11/84/77/484118477.db2.gz AFZFAFDMSCEECY-CQSZACIVSA-N 1 0 370.431 -0.111 20 5 FBBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000595892386 484119950 /nfs/dbraw/zinc/11/99/50/484119950.db2.gz PKVGODBOBNDEMW-CYBMUJFWSA-N 1 0 370.431 -0.111 20 5 FBBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000595892387 484120181 /nfs/dbraw/zinc/12/01/81/484120181.db2.gz PKVGODBOBNDEMW-ZDUSSCGKSA-N 1 0 370.431 -0.111 20 5 FBBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(C[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000595892420 484120409 /nfs/dbraw/zinc/12/04/09/484120409.db2.gz QVEMDWSUFCNHEM-AWEZNQCLSA-N 1 0 370.431 -0.111 20 5 FBBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(C[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000595892421 484120430 /nfs/dbraw/zinc/12/04/30/484120430.db2.gz QVEMDWSUFCNHEM-CQSZACIVSA-N 1 0 370.431 -0.111 20 5 FBBDRO [NH3+]CCN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@@H](O)CO ZINC000595902794 484119995 /nfs/dbraw/zinc/11/99/95/484119995.db2.gz QQEGFYXCTCVXKA-GFCCVEGCSA-N 1 0 354.363 -0.493 20 5 FBBDRO [NH3+]CCN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@H](O)CO ZINC000595902795 484120488 /nfs/dbraw/zinc/12/04/88/484120488.db2.gz QQEGFYXCTCVXKA-LBPRGKRZSA-N 1 0 354.363 -0.493 20 5 FBBDRO O=C(CNC1(CO)CC[NH2+]CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595902853 484120153 /nfs/dbraw/zinc/12/01/53/484120153.db2.gz VKKZWXYSRUQEOK-UHFFFAOYSA-N 1 0 352.347 -0.034 20 5 FBBDRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595927228 484121460 /nfs/dbraw/zinc/12/14/60/484121460.db2.gz BVAMQFJJJRHGQW-CHWSQXEVSA-N 1 0 372.403 -0.647 20 5 FBBDRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595927231 484121654 /nfs/dbraw/zinc/12/16/54/484121654.db2.gz BVAMQFJJJRHGQW-OLZOCXBDSA-N 1 0 372.403 -0.647 20 5 FBBDRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595927232 484121354 /nfs/dbraw/zinc/12/13/54/484121354.db2.gz BVAMQFJJJRHGQW-QWHCGFSZSA-N 1 0 372.403 -0.647 20 5 FBBDRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595927233 484121398 /nfs/dbraw/zinc/12/13/98/484121398.db2.gz BVAMQFJJJRHGQW-STQMWFEESA-N 1 0 372.403 -0.647 20 5 FBBDRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595929945 484121807 /nfs/dbraw/zinc/12/18/07/484121807.db2.gz DKVCODQPIYDZAG-CHWSQXEVSA-N 1 0 372.403 -0.647 20 5 FBBDRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595929946 484121402 /nfs/dbraw/zinc/12/14/02/484121402.db2.gz DKVCODQPIYDZAG-OLZOCXBDSA-N 1 0 372.403 -0.647 20 5 FBBDRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595929948 484121818 /nfs/dbraw/zinc/12/18/18/484121818.db2.gz DKVCODQPIYDZAG-QWHCGFSZSA-N 1 0 372.403 -0.647 20 5 FBBDRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595929950 484121226 /nfs/dbraw/zinc/12/12/26/484121226.db2.gz DKVCODQPIYDZAG-STQMWFEESA-N 1 0 372.403 -0.647 20 5 FBBDRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595947680 484122928 /nfs/dbraw/zinc/12/29/28/484122928.db2.gz UXVRXRVFXVPNPS-CMPLNLGQSA-N 1 0 372.403 -0.647 20 5 FBBDRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595947681 484123165 /nfs/dbraw/zinc/12/31/65/484123165.db2.gz UXVRXRVFXVPNPS-JQWIXIFHSA-N 1 0 372.403 -0.647 20 5 FBBDRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595947682 484122793 /nfs/dbraw/zinc/12/27/93/484122793.db2.gz UXVRXRVFXVPNPS-PWSUYJOCSA-N 1 0 372.403 -0.647 20 5 FBBDRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595947683 484122554 /nfs/dbraw/zinc/12/25/54/484122554.db2.gz UXVRXRVFXVPNPS-ZYHUDNBSSA-N 1 0 372.403 -0.647 20 5 FBBDRO O=C(N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)C1(O)C[NH2+]C1 ZINC000595957529 484123112 /nfs/dbraw/zinc/12/31/12/484123112.db2.gz VRDRVHNEDCTFPS-UHFFFAOYSA-N 1 0 360.374 -0.156 20 5 FBBDRO [NH3+]CC12CC(C1)CN2C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595967193 484124859 /nfs/dbraw/zinc/12/48/59/484124859.db2.gz ZMMMETYRWYOFNI-UHFFFAOYSA-N 1 0 354.388 -0.177 20 5 FBBDRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595979475 484126097 /nfs/dbraw/zinc/12/60/97/484126097.db2.gz ADOBMTJSVHPUAV-UHFFFAOYSA-N 1 0 364.406 -0.166 20 5 FBBDRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595981049 484126186 /nfs/dbraw/zinc/12/61/86/484126186.db2.gz NLTZEXSWPJSBOT-UHFFFAOYSA-N 1 0 362.390 -0.096 20 5 FBBDRO C[NH2+]C[C@@H](C)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000595981495 484127396 /nfs/dbraw/zinc/12/73/96/484127396.db2.gz DIQDMCUBATXAND-SECBINFHSA-N 1 0 359.408 -0.232 20 5 FBBDRO C[NH2+]C[C@H](C)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000595981496 484126864 /nfs/dbraw/zinc/12/68/64/484126864.db2.gz DIQDMCUBATXAND-VIFPVBQESA-N 1 0 359.408 -0.232 20 5 FBBDRO [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC[C@H]1F ZINC000595983343 484126779 /nfs/dbraw/zinc/12/67/79/484126779.db2.gz WZHCJPNJAOHKEA-VXGBXAGGSA-N 1 0 368.369 -0.148 20 5 FBBDRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000595987943 484127330 /nfs/dbraw/zinc/12/73/30/484127330.db2.gz DNSVPUQCPNXWLJ-UHFFFAOYSA-N 1 0 364.406 -0.166 20 5 FBBDRO CN(CCC[NH3+])C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595990265 484128354 /nfs/dbraw/zinc/12/83/54/484128354.db2.gz WKQJYVAGADGDBO-UHFFFAOYSA-N 1 0 350.379 -0.554 20 5 FBBDRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595990574 484128560 /nfs/dbraw/zinc/12/85/60/484128560.db2.gz XZIXUKYIBQVWKQ-UHFFFAOYSA-N 1 0 374.401 -0.412 20 5 FBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC12CC(C1)C[NH2+]2 ZINC000595990790 484128419 /nfs/dbraw/zinc/12/84/19/484128419.db2.gz ZEGKCRLEXWUPBB-UHFFFAOYSA-N 1 0 354.388 -0.259 20 5 FBBDRO CN(CCC[NH3+])C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000595991289 484126964 /nfs/dbraw/zinc/12/69/64/484126964.db2.gz RBXTYNZITUAOKY-UHFFFAOYSA-N 1 0 350.379 -0.554 20 5 FBBDRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000595991338 484127760 /nfs/dbraw/zinc/12/77/60/484127760.db2.gz SGPPLHJGFPFBMQ-UHFFFAOYSA-N 1 0 374.401 -0.412 20 5 FBBDRO [NH3+][C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000595992315 484127109 /nfs/dbraw/zinc/12/71/09/484127109.db2.gz WZMFSOUFNSEHDL-NXEZZACHSA-N 1 0 360.367 -0.229 20 5 FBBDRO C[C@]1(NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000595992482 484127073 /nfs/dbraw/zinc/12/70/73/484127073.db2.gz SDMGMTRHAVGLMG-AWEZNQCLSA-N 1 0 371.419 -0.088 20 5 FBBDRO C[C@@]1(NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000595992483 484127587 /nfs/dbraw/zinc/12/75/87/484127587.db2.gz SDMGMTRHAVGLMG-CQSZACIVSA-N 1 0 371.419 -0.088 20 5 FBBDRO NS(=O)(=O)c1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000596070530 484136807 /nfs/dbraw/zinc/13/68/07/484136807.db2.gz QSKBARPQOUAWIP-LLVKDONJSA-N 1 0 373.366 -0.272 20 5 FBBDRO NS(=O)(=O)c1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000596070531 484136213 /nfs/dbraw/zinc/13/62/13/484136213.db2.gz QSKBARPQOUAWIP-NSHDSACASA-N 1 0 373.366 -0.272 20 5 FBBDRO C[NH+](C)CC(=O)N1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596073438 484138400 /nfs/dbraw/zinc/13/84/00/484138400.db2.gz OXOJIWIXONNCRG-UHFFFAOYSA-N 1 0 371.419 -0.548 20 5 FBBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCOC2(C[NH2+]C2)C1 ZINC000596099327 484142962 /nfs/dbraw/zinc/14/29/62/484142962.db2.gz ZELJZMHIVMRPNF-UHFFFAOYSA-N 1 0 362.342 -0.479 20 5 FBBDRO CC(C)(C(N)=O)N1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596151189 484151061 /nfs/dbraw/zinc/15/10/61/484151061.db2.gz AUGRLPMYKAJODG-UHFFFAOYSA-N 1 0 371.419 -0.372 20 5 FBBDRO COC(=O)[C@@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000596273139 484175116 /nfs/dbraw/zinc/17/51/16/484175116.db2.gz NUWNXFAUNOODRF-JTQLQIEISA-N 1 0 372.403 -0.217 20 5 FBBDRO COC(=O)[C@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000596273140 484174207 /nfs/dbraw/zinc/17/42/07/484174207.db2.gz NUWNXFAUNOODRF-SNVBAGLBSA-N 1 0 372.403 -0.217 20 5 FBBDRO C[NH+](C)CCN1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1=O ZINC000596289461 484176266 /nfs/dbraw/zinc/17/62/66/484176266.db2.gz CHNWGDBKROJINU-UHFFFAOYSA-N 1 0 371.419 -0.548 20 5 FBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N[C@H]2CCNC2=O)c([N+](=O)[O-])c1 ZINC000596312706 484178084 /nfs/dbraw/zinc/17/80/84/484178084.db2.gz YTADOOHFROLTPW-LBPRGKRZSA-N 1 0 371.419 -0.265 20 5 FBBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000596505174 484194636 /nfs/dbraw/zinc/19/46/36/484194636.db2.gz OUFQPFSZGVZPTG-UHFFFAOYSA-N 1 0 355.399 -0.547 20 5 FBBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N1CCOC2(C[NH2+]C2)C1 ZINC000596579616 484200409 /nfs/dbraw/zinc/20/04/09/484200409.db2.gz IDTFGAJJLAHZFZ-UHFFFAOYSA-N 1 0 363.374 -0.405 20 5 FBBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000596579626 484201458 /nfs/dbraw/zinc/20/14/58/484201458.db2.gz IIYKQJCYFFCILC-LLVKDONJSA-N 1 0 364.358 -0.007 20 5 FBBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000596579628 484200607 /nfs/dbraw/zinc/20/06/07/484200607.db2.gz IIYKQJCYFFCILC-NSHDSACASA-N 1 0 364.358 -0.007 20 5 FBBDRO Cc1c(C(=O)N2CCOC3(C[NH2+]C3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000596579640 484201133 /nfs/dbraw/zinc/20/11/33/484201133.db2.gz IQKWEFZZHGAOJQ-UHFFFAOYSA-N 1 0 370.387 -0.635 20 5 FBBDRO NC(=O)c1ccc(SCC(=O)N2CCOC3(C[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000596580491 484201588 /nfs/dbraw/zinc/20/15/88/484201588.db2.gz MVXWGMPNGUKKAP-UHFFFAOYSA-N 1 0 366.399 -0.013 20 5 FBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOC2(C[NH2+]C2)C1 ZINC000596580728 484201559 /nfs/dbraw/zinc/20/15/59/484201559.db2.gz PUAXTAVGOPTYNM-UHFFFAOYSA-N 1 0 370.387 -0.926 20 5 FBBDRO C[C@]1(NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000597430866 484231635 /nfs/dbraw/zinc/23/16/35/484231635.db2.gz AQZKFVQTCWKUBZ-AWEZNQCLSA-N 1 0 371.419 -0.076 20 5 FBBDRO C[C@@]1(NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000597430871 484231440 /nfs/dbraw/zinc/23/14/40/484231440.db2.gz AQZKFVQTCWKUBZ-CQSZACIVSA-N 1 0 371.419 -0.076 20 5 FBBDRO C[C@]1(NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000597432504 484231459 /nfs/dbraw/zinc/23/14/59/484231459.db2.gz BYSCFSKFDPSLPA-AWEZNQCLSA-N 1 0 371.419 -0.076 20 5 FBBDRO C[C@@]1(NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000597432505 484230709 /nfs/dbraw/zinc/23/07/09/484230709.db2.gz BYSCFSKFDPSLPA-CQSZACIVSA-N 1 0 371.419 -0.076 20 5 FBBDRO C[C@]1(NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000597435577 484230697 /nfs/dbraw/zinc/23/06/97/484230697.db2.gz YEUFKZRQRDRWRO-AWEZNQCLSA-N 1 0 371.419 -0.076 20 5 FBBDRO C[C@@]1(NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000597435581 484231038 /nfs/dbraw/zinc/23/10/38/484231038.db2.gz YEUFKZRQRDRWRO-CQSZACIVSA-N 1 0 371.419 -0.076 20 5 FBBDRO C[NH+](C)C[C@H](CO)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000597652391 484233168 /nfs/dbraw/zinc/23/31/68/484233168.db2.gz ASKYIYGSANYFQG-SECBINFHSA-N 1 0 350.331 -0.771 20 5 FBBDRO C[NH+](C)C[C@@H](CO)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000597652392 484232776 /nfs/dbraw/zinc/23/27/76/484232776.db2.gz ASKYIYGSANYFQG-VIFPVBQESA-N 1 0 350.331 -0.771 20 5 FBBDRO C[NH+](C)C[C@H](CO)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000597653300 484233111 /nfs/dbraw/zinc/23/31/11/484233111.db2.gz JBXLGKQHFKATQR-LLVKDONJSA-N 1 0 374.419 -0.698 20 5 FBBDRO C[NH+](C)C[C@@H](CO)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000597653301 484232080 /nfs/dbraw/zinc/23/20/80/484232080.db2.gz JBXLGKQHFKATQR-NSHDSACASA-N 1 0 374.419 -0.698 20 5 FBBDRO COc1ccc(C(=O)NCC(=O)N[C@@H](CO)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000597653532 484233054 /nfs/dbraw/zinc/23/30/54/484233054.db2.gz KVEVQLBQLKBPEJ-LLVKDONJSA-N 1 0 354.363 -0.628 20 5 FBBDRO COc1ccc(C(=O)NCC(=O)N[C@H](CO)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000597653533 484232647 /nfs/dbraw/zinc/23/26/47/484232647.db2.gz KVEVQLBQLKBPEJ-NSHDSACASA-N 1 0 354.363 -0.628 20 5 FBBDRO CN(CC(=O)N[C@@H](CO)C[NH+](C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000597654237 484232989 /nfs/dbraw/zinc/23/29/89/484232989.db2.gz QIBSHTMZLJTCQV-LLVKDONJSA-N 1 0 374.419 -0.746 20 5 FBBDRO CN(CC(=O)N[C@H](CO)C[NH+](C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000597654238 484233938 /nfs/dbraw/zinc/23/39/38/484233938.db2.gz QIBSHTMZLJTCQV-NSHDSACASA-N 1 0 374.419 -0.746 20 5 FBBDRO C[NH+](C)C[C@H](CO)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000597654563 484234468 /nfs/dbraw/zinc/23/44/68/484234468.db2.gz UNJRVDOLRHSLSJ-LLVKDONJSA-N 1 0 374.419 -0.698 20 5 FBBDRO C[NH+](C)C[C@@H](CO)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000597654564 484234560 /nfs/dbraw/zinc/23/45/60/484234560.db2.gz UNJRVDOLRHSLSJ-NSHDSACASA-N 1 0 374.419 -0.698 20 5 FBBDRO C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000597654940 484234736 /nfs/dbraw/zinc/23/47/36/484234736.db2.gz WHHYKWLSXAJYRB-GHMZBOCLSA-N 1 0 354.363 -0.169 20 5 FBBDRO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000597654942 484234595 /nfs/dbraw/zinc/23/45/95/484234595.db2.gz WHHYKWLSXAJYRB-MNOVXSKESA-N 1 0 354.363 -0.169 20 5 FBBDRO C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000597654944 484234240 /nfs/dbraw/zinc/23/42/40/484234240.db2.gz WHHYKWLSXAJYRB-QWRGUYRKSA-N 1 0 354.363 -0.169 20 5 FBBDRO C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000597654946 484233634 /nfs/dbraw/zinc/23/36/34/484233634.db2.gz WHHYKWLSXAJYRB-WDEREUQCSA-N 1 0 354.363 -0.169 20 5 FBBDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000597654963 484233500 /nfs/dbraw/zinc/23/35/00/484233500.db2.gz WKFXFCYZBYDYHE-LLVKDONJSA-N 1 0 364.358 -0.100 20 5 FBBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000597654969 484234197 /nfs/dbraw/zinc/23/41/97/484234197.db2.gz WKFXFCYZBYDYHE-NSHDSACASA-N 1 0 364.358 -0.100 20 5 FBBDRO C[NH+](C)C[C@H](CO)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000597654982 484234090 /nfs/dbraw/zinc/23/40/90/484234090.db2.gz WZDLPIXYYQBIKL-GFCCVEGCSA-N 1 0 353.379 -0.567 20 5 FBBDRO C[NH+](C)C[C@@H](CO)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000597654989 484233789 /nfs/dbraw/zinc/23/37/89/484233789.db2.gz WZDLPIXYYQBIKL-LBPRGKRZSA-N 1 0 353.379 -0.567 20 5 FBBDRO C[NH+](C)CC1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000597705855 484234403 /nfs/dbraw/zinc/23/44/03/484234403.db2.gz IYRQNXUMKKHDAP-UHFFFAOYSA-N 1 0 356.404 -0.107 20 5 FBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[N@@H+]2CC[C@H]1C2 ZINC000597709512 484234420 /nfs/dbraw/zinc/23/44/20/484234420.db2.gz ZTMGNSJNXNTRKY-NSHDSACASA-N 1 0 354.388 -0.210 20 5 FBBDRO CN(CC1C[NH+](C)C1)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000598162641 484281161 /nfs/dbraw/zinc/28/11/61/484281161.db2.gz YAZDDQPJQMVLAR-UHFFFAOYSA-N 1 0 356.404 -0.107 20 5 FBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000598185501 484283619 /nfs/dbraw/zinc/28/36/19/484283619.db2.gz KGTGXVLXIRVAOS-UHFFFAOYSA-N 1 0 354.411 -0.032 20 5 FBBDRO CNc1nccc(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000598187254 484203234 /nfs/dbraw/zinc/20/32/34/484203234.db2.gz VJWULTZHOMSGCN-UHFFFAOYSA-N 1 0 352.395 0.124 20 5 FBBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000598189192 484282610 /nfs/dbraw/zinc/28/26/10/484282610.db2.gz YRFYFBCQPYDZJH-UHFFFAOYSA-N 1 0 353.379 -0.765 20 5 FBBDRO COC(=O)c1ccnc(N2CCN(C(=O)C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000598586292 483472747 /nfs/dbraw/zinc/47/27/47/483472747.db2.gz DUCIAAOYCMDUEP-UHFFFAOYSA-N 1 0 351.363 -0.013 20 5 FBBDRO C[NH+]1CCN(CCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598586451 483472776 /nfs/dbraw/zinc/47/27/76/483472776.db2.gz VJQJHJQNQRRKJH-UHFFFAOYSA-N 1 0 351.411 -0.119 20 5 FBBDRO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCN(CCCO)CC1 ZINC000598591377 483474836 /nfs/dbraw/zinc/47/48/36/483474836.db2.gz AKWSBLOTKNGJAN-UHFFFAOYSA-N 1 0 352.395 -0.274 20 5 FBBDRO COC(=O)c1ccnc(N2CCN(CC[NH+](C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000598631637 483508783 /nfs/dbraw/zinc/50/87/83/483508783.db2.gz RUOMHOQXVZMKQO-UHFFFAOYSA-N 1 0 351.363 -0.013 20 5 FBBDRO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000598632006 483508840 /nfs/dbraw/zinc/50/88/40/483508840.db2.gz XQTCDGPIUDKFEU-NWDGAFQWSA-N 1 0 350.379 -0.523 20 5 FBBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCC(=O)N1CC[NH2+]CC1 ZINC000598661568 483527581 /nfs/dbraw/zinc/52/75/81/483527581.db2.gz HYLPEAHWCOTKHY-UHFFFAOYSA-N 1 0 364.362 -0.736 20 5 FBBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCCN1CC[NH2+]CC1 ZINC000598663792 483527074 /nfs/dbraw/zinc/52/70/74/483527074.db2.gz YZWUDCUXPSHYEZ-UHFFFAOYSA-N 1 0 350.379 -0.262 20 5 FBBDRO CN1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000598664214 483527229 /nfs/dbraw/zinc/52/72/29/483527229.db2.gz KDNRGBKAOZASSD-CYBMUJFWSA-N 1 0 350.379 -0.182 20 5 FBBDRO CN1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000598664215 483526995 /nfs/dbraw/zinc/52/69/95/483526995.db2.gz KDNRGBKAOZASSD-ZDUSSCGKSA-N 1 0 350.379 -0.182 20 5 FBBDRO Cc1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000598716575 483530103 /nfs/dbraw/zinc/53/01/03/483530103.db2.gz NNRBGIJVKRJPAV-UHFFFAOYSA-N 1 0 356.404 -0.078 20 5 FBBDRO C[NH+](C)[C@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000598902102 483531085 /nfs/dbraw/zinc/53/10/85/483531085.db2.gz DNIKTZILIHNHIX-STQMWFEESA-N 1 0 351.363 -0.150 20 5 FBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598902789 483532585 /nfs/dbraw/zinc/53/25/85/483532585.db2.gz RMAVNDSLSNRBLO-HNNXBMFYSA-N 1 0 351.363 -0.101 20 5 FBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598902798 483532514 /nfs/dbraw/zinc/53/25/14/483532514.db2.gz RMAVNDSLSNRBLO-OAHLLOKOSA-N 1 0 351.363 -0.101 20 5 FBBDRO O=C(NCC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)Nc1cccc([N+](=O)[O-])c1 ZINC000598908308 483531832 /nfs/dbraw/zinc/53/18/32/483531832.db2.gz HADPFZUILBQYEV-UONOGXRCSA-N 1 0 363.374 -0.006 20 5 FBBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598915959 483533197 /nfs/dbraw/zinc/53/31/97/483533197.db2.gz RMFPORFVRXTVFK-LLVKDONJSA-N 1 0 363.374 -0.153 20 5 FBBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598915960 483533456 /nfs/dbraw/zinc/53/34/56/483533456.db2.gz RMFPORFVRXTVFK-NSHDSACASA-N 1 0 363.374 -0.153 20 5 FBBDRO Nc1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)nc(N)[nH+]1 ZINC000599019489 483536904 /nfs/dbraw/zinc/53/69/04/483536904.db2.gz MUIJPVHQDYPPOQ-UHFFFAOYSA-N 1 0 350.364 -0.371 20 5 FBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])n1 ZINC000599097203 483536511 /nfs/dbraw/zinc/53/65/11/483536511.db2.gz BYGNWYMTFBFQAM-JTQLQIEISA-N 1 0 374.423 -0.664 20 5 FBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])n1 ZINC000599097220 483536897 /nfs/dbraw/zinc/53/68/97/483536897.db2.gz BYGNWYMTFBFQAM-SNVBAGLBSA-N 1 0 374.423 -0.664 20 5 FBBDRO CN1CC[NH+](CC2CN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000599104688 483534501 /nfs/dbraw/zinc/53/45/01/483534501.db2.gz GAIQXZDGPZVNDD-UHFFFAOYSA-N 1 0 369.447 -0.074 20 5 FBBDRO C[NH2+]CCOCCNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000599106641 483536323 /nfs/dbraw/zinc/53/63/23/483536323.db2.gz FKIARQNONVHCOF-UHFFFAOYSA-N 1 0 361.376 -0.104 20 5 FBBDRO C[NH2+]CCOCCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000599107204 483537538 /nfs/dbraw/zinc/53/75/38/483537538.db2.gz KIYWXPGYDOQPRJ-UHFFFAOYSA-N 1 0 361.376 -0.120 20 5 FBBDRO COC(=O)c1ccc(S(=O)(=O)N(C)CCOCC[NH3+])cc1[N+](=O)[O-] ZINC000599110497 483537609 /nfs/dbraw/zinc/53/76/09/483537609.db2.gz UTHSNSQEYFILTM-UHFFFAOYSA-N 1 0 361.376 -0.023 20 5 FBBDRO CN(CCOCC[NH3+])S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000599112205 483539144 /nfs/dbraw/zinc/53/91/44/483539144.db2.gz VRKBCGKYQQWAGY-UHFFFAOYSA-N 1 0 361.376 -0.038 20 5 FBBDRO COC(=O)c1ccnc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000599130501 483537321 /nfs/dbraw/zinc/53/73/21/483537321.db2.gz AIRLZYBDNDXFJT-NSHDSACASA-N 1 0 351.363 0.528 20 5 FBBDRO COC(=O)CNC(=O)c1ccc(NCC[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599175667 483538814 /nfs/dbraw/zinc/53/88/14/483538814.db2.gz HBVDJRBESFVCJK-GFCCVEGCSA-N 1 0 366.374 -0.024 20 5 FBBDRO COC(=O)CNC(=O)c1ccc(NCC[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599199206 483538585 /nfs/dbraw/zinc/53/85/85/483538585.db2.gz HBVDJRBESFVCJK-LBPRGKRZSA-N 1 0 366.374 -0.024 20 5 FBBDRO CN(CCN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000599219782 483540643 /nfs/dbraw/zinc/54/06/43/483540643.db2.gz HWTHOBKFDTXJHC-UHFFFAOYSA-N 1 0 374.467 -0.025 20 5 FBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000599229312 483542352 /nfs/dbraw/zinc/54/23/52/483542352.db2.gz AWPXBNVPRULYHT-JTQLQIEISA-N 1 0 374.423 -0.806 20 5 FBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000599229322 483541956 /nfs/dbraw/zinc/54/19/56/483541956.db2.gz AWPXBNVPRULYHT-SNVBAGLBSA-N 1 0 374.423 -0.806 20 5 FBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000599236311 483541795 /nfs/dbraw/zinc/54/17/95/483541795.db2.gz FEYXNXRANGIYBN-GFCCVEGCSA-N 1 0 372.451 -0.271 20 5 FBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000599236320 483542576 /nfs/dbraw/zinc/54/25/76/483542576.db2.gz FEYXNXRANGIYBN-LBPRGKRZSA-N 1 0 372.451 -0.271 20 5 FBBDRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599315078 483546792 /nfs/dbraw/zinc/54/67/92/483546792.db2.gz INFZZDWHAUWCIK-UHFFFAOYSA-N 1 0 362.456 -0.168 20 5 FBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCOC3(CC[NH+](C)CC3)C2)n1 ZINC000599339019 483542241 /nfs/dbraw/zinc/54/22/41/483542241.db2.gz DRTDDSREVHIHER-UHFFFAOYSA-N 1 0 359.408 -0.186 20 5 FBBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599340833 483542220 /nfs/dbraw/zinc/54/22/20/483542220.db2.gz RBMIXAIQZJRVLN-SECBINFHSA-N 1 0 360.396 -0.931 20 5 FBBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599340834 483541938 /nfs/dbraw/zinc/54/19/38/483541938.db2.gz RBMIXAIQZJRVLN-VIFPVBQESA-N 1 0 360.396 -0.931 20 5 FBBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000599614772 483550516 /nfs/dbraw/zinc/55/05/16/483550516.db2.gz SQJOSWVZIGRYEA-UHFFFAOYSA-N 1 0 363.378 -0.414 20 5 FBBDRO NS(=O)(=O)NC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000599647537 483553449 /nfs/dbraw/zinc/55/34/49/483553449.db2.gz PYGBOEQSHFHCEZ-CYBMUJFWSA-N 1 0 374.419 -0.408 20 5 FBBDRO NS(=O)(=O)NC1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000599647544 483553490 /nfs/dbraw/zinc/55/34/90/483553490.db2.gz PYGBOEQSHFHCEZ-ZDUSSCGKSA-N 1 0 374.419 -0.408 20 5 FBBDRO NS(=O)(=O)NC1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000599647659 483552944 /nfs/dbraw/zinc/55/29/44/483552944.db2.gz RMJKSUUKBIPKRR-GFCCVEGCSA-N 1 0 374.419 -0.408 20 5 FBBDRO NS(=O)(=O)NC1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000599647661 483552986 /nfs/dbraw/zinc/55/29/86/483552986.db2.gz RMJKSUUKBIPKRR-LBPRGKRZSA-N 1 0 374.419 -0.408 20 5 FBBDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599691331 483551864 /nfs/dbraw/zinc/55/18/64/483551864.db2.gz FBJHPFLGSITENA-AAEUAGOBSA-N 1 0 361.424 -0.587 20 5 FBBDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599691332 483551969 /nfs/dbraw/zinc/55/19/69/483551969.db2.gz FBJHPFLGSITENA-DGCLKSJQSA-N 1 0 361.424 -0.587 20 5 FBBDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599691333 483551830 /nfs/dbraw/zinc/55/18/30/483551830.db2.gz FBJHPFLGSITENA-WCQYABFASA-N 1 0 361.424 -0.587 20 5 FBBDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599691334 483552025 /nfs/dbraw/zinc/55/20/25/483552025.db2.gz FBJHPFLGSITENA-YPMHNXCESA-N 1 0 361.424 -0.587 20 5 FBBDRO CCN(CC[NH3+])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000599907727 483553973 /nfs/dbraw/zinc/55/39/73/483553973.db2.gz CTFUTXIJSGMQLK-UHFFFAOYSA-N 1 0 359.408 -0.137 20 5 FBBDRO CCN(CC[NH3+])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000599909551 483554291 /nfs/dbraw/zinc/55/42/91/483554291.db2.gz FYAGMXIGQHKGFI-UHFFFAOYSA-N 1 0 359.408 -0.137 20 5 FBBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000599909610 483554005 /nfs/dbraw/zinc/55/40/05/483554005.db2.gz GHRDGRXLHPAGFZ-GXFFZTMASA-N 1 0 371.419 -0.077 20 5 FBBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000599910326 483554474 /nfs/dbraw/zinc/55/44/74/483554474.db2.gz PHSVAEQMSBAUAJ-GXFFZTMASA-N 1 0 371.419 -0.077 20 5 FBBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000599914187 483555828 /nfs/dbraw/zinc/55/58/28/483555828.db2.gz BXKYHNLLHDHUBA-WDEREUQCSA-N 1 0 371.419 -0.077 20 5 FBBDRO CCN(CC[NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000599915629 483555201 /nfs/dbraw/zinc/55/52/01/483555201.db2.gz YSYCSDNPVVVVRU-UHFFFAOYSA-N 1 0 359.408 -0.137 20 5 FBBDRO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1COCC[NH2+]1 ZINC000599916448 483555774 /nfs/dbraw/zinc/55/57/74/483555774.db2.gz CCQXODLYXVQRBI-LLVKDONJSA-N 1 0 372.403 -0.344 20 5 FBBDRO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1COCC[NH2+]1 ZINC000599916457 483555921 /nfs/dbraw/zinc/55/59/21/483555921.db2.gz CCQXODLYXVQRBI-NSHDSACASA-N 1 0 372.403 -0.344 20 5 FBBDRO CN(CCOCC[NH3+])C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000599918941 483554157 /nfs/dbraw/zinc/55/41/57/483554157.db2.gz UEAYUEFTASHWSB-UHFFFAOYSA-N 1 0 374.419 -0.015 20 5 FBBDRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000599942293 483556908 /nfs/dbraw/zinc/55/69/08/483556908.db2.gz ZCMOOPLQDAIZCB-GFCCVEGCSA-N 1 0 350.379 -0.190 20 5 FBBDRO O=C(NC[C@H]1COCC[NH2+]1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000599942294 483556857 /nfs/dbraw/zinc/55/68/57/483556857.db2.gz ZCMOOPLQDAIZCB-LBPRGKRZSA-N 1 0 350.379 -0.190 20 5 FBBDRO COc1cc(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000599945212 483558088 /nfs/dbraw/zinc/55/80/88/483558088.db2.gz CIVUVGJESFAHHI-LLVKDONJSA-N 1 0 366.374 -0.251 20 5 FBBDRO [NH3+]CCCOCCNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000599946345 483557789 /nfs/dbraw/zinc/55/77/89/483557789.db2.gz DVAUZVUZNMYRLG-UHFFFAOYSA-N 1 0 364.362 -0.431 20 5 FBBDRO CN(CCOCC[NH3+])C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000599947131 483558255 /nfs/dbraw/zinc/55/82/55/483558255.db2.gz REWKBVKASPQSHF-UHFFFAOYSA-N 1 0 364.362 -0.479 20 5 FBBDRO C[NH2+]CCOCCNC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000599947151 483557505 /nfs/dbraw/zinc/55/75/05/483557505.db2.gz RXNSUYKOGRDGGP-UHFFFAOYSA-N 1 0 364.362 -0.561 20 5 FBBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599947157 483557657 /nfs/dbraw/zinc/55/76/57/483557657.db2.gz SFBRBJQYMGACMJ-SECBINFHSA-N 1 0 362.346 -0.808 20 5 FBBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000599947158 483557627 /nfs/dbraw/zinc/55/76/27/483557627.db2.gz SFBRBJQYMGACMJ-VIFPVBQESA-N 1 0 362.346 -0.808 20 5 FBBDRO [NH3+]CCCOCCNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599962490 483555711 /nfs/dbraw/zinc/55/57/11/483555711.db2.gz RDWAYYBUXNWTDY-UHFFFAOYSA-N 1 0 368.394 -0.564 20 5 FBBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000599964811 483555863 /nfs/dbraw/zinc/55/58/63/483555863.db2.gz DQQTWFBCUWAJKE-NWDGAFQWSA-N 1 0 362.390 -0.495 20 5 FBBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599965558 483556795 /nfs/dbraw/zinc/55/67/95/483556795.db2.gz KOOVDLKKIJELRI-CMPLNLGQSA-N 1 0 350.379 -0.179 20 5 FBBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000599966175 483557145 /nfs/dbraw/zinc/55/71/45/483557145.db2.gz PETYTYLBPZBUTR-WCQYABFASA-N 1 0 362.390 -0.495 20 5 FBBDRO C[NH2+]CCOCCNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599966558 483557111 /nfs/dbraw/zinc/55/71/11/483557111.db2.gz YXLBNUPRLWAZBG-UHFFFAOYSA-N 1 0 368.394 -0.693 20 5 FBBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000599991102 483556784 /nfs/dbraw/zinc/55/67/84/483556784.db2.gz AHDZSXFOZGIWKC-HBYGRHMLSA-N 1 0 368.415 -0.109 20 5 FBBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C[C@H]21 ZINC000599991547 483556599 /nfs/dbraw/zinc/55/65/99/483556599.db2.gz KSKAVYDYEUXSEK-IWIIMEHWSA-N 1 0 354.388 -0.126 20 5 FBBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600070060 484916219 /nfs/dbraw/zinc/91/62/19/484916219.db2.gz CWCSDDCDVKZEFO-LLVKDONJSA-N 1 0 352.347 -0.275 20 5 FBBDRO COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600070189 483826922 /nfs/dbraw/zinc/82/69/22/483826922.db2.gz GNTGNLKOBVGUNT-LLVKDONJSA-N 1 0 352.347 -0.275 20 5 FBBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600097689 484917825 /nfs/dbraw/zinc/91/78/25/484917825.db2.gz CWCSDDCDVKZEFO-NSHDSACASA-N 1 0 352.347 -0.275 20 5 FBBDRO COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000600097784 484918140 /nfs/dbraw/zinc/91/81/40/484918140.db2.gz GNTGNLKOBVGUNT-NSHDSACASA-N 1 0 352.347 -0.275 20 5 FBBDRO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600526255 483785801 /nfs/dbraw/zinc/78/58/01/483785801.db2.gz GRALSRCZKWDAPK-SNVBAGLBSA-N 1 0 362.342 -0.626 20 5 FBBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600526481 484939323 /nfs/dbraw/zinc/93/93/23/484939323.db2.gz JRVYRHKGJNPNBW-BXUZGUMPSA-N 1 0 350.375 -0.104 20 5 FBBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600526487 484939784 /nfs/dbraw/zinc/93/97/84/484939784.db2.gz JRVYRHKGJNPNBW-SMDDNHRTSA-N 1 0 350.375 -0.104 20 5 FBBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600528255 484939144 /nfs/dbraw/zinc/93/91/44/484939144.db2.gz QOCWCQKIVLETHR-GFCCVEGCSA-N 1 0 364.358 -0.497 20 5 FBBDRO NC(=O)c1ccc(SCC(=O)NCC[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000600528290 484939482 /nfs/dbraw/zinc/93/94/82/484939482.db2.gz QZDVCWRBJFUEJZ-LLVKDONJSA-N 1 0 368.415 -0.031 20 5 FBBDRO Cc1cc(C(=O)NCC(=O)NCC[N@@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000600529719 484939843 /nfs/dbraw/zinc/93/98/43/484939843.db2.gz YNFNMFWQUPYUDZ-CYBMUJFWSA-N 1 0 350.375 -0.184 20 5 FBBDRO COc1ccc(C(=O)NCC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600529721 484940011 /nfs/dbraw/zinc/94/00/11/484940011.db2.gz YNICSRIBSDPQQQ-GFCCVEGCSA-N 1 0 366.374 -0.484 20 5 FBBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600529752 484940046 /nfs/dbraw/zinc/94/00/46/484940046.db2.gz ZJLSEYJXGGGHCT-CQSZACIVSA-N 1 0 350.375 -0.103 20 5 FBBDRO Cc1c(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000600531322 484939968 /nfs/dbraw/zinc/93/99/68/484939968.db2.gz HNJJSEBNDQWMFN-SNVBAGLBSA-N 1 0 372.403 -0.653 20 5 FBBDRO NS(=O)(=O)c1ccc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600531521 483785979 /nfs/dbraw/zinc/78/59/79/483785979.db2.gz GHVGOIFVNBAEKJ-SNVBAGLBSA-N 1 0 358.376 -0.961 20 5 FBBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600531566 484939344 /nfs/dbraw/zinc/93/93/44/484939344.db2.gz GTGATLWKLXMKFF-CYBMUJFWSA-N 1 0 351.363 -0.101 20 5 FBBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600532965 484939447 /nfs/dbraw/zinc/93/94/47/484939447.db2.gz JVCYUTXRBMBSFG-CQSZACIVSA-N 1 0 365.390 -0.423 20 5 FBBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000600534573 484939550 /nfs/dbraw/zinc/93/95/50/484939550.db2.gz OCPOODRMHMDODT-NEPJUHHUSA-N 1 0 366.374 -0.025 20 5 FBBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000600534575 484939695 /nfs/dbraw/zinc/93/96/95/484939695.db2.gz OCPOODRMHMDODT-VXGBXAGGSA-N 1 0 366.374 -0.025 20 5 FBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC[N@H+]1CC[C@@H](O)C1 ZINC000600536047 483785827 /nfs/dbraw/zinc/78/58/27/483785827.db2.gz VZNRYFKIIFVRCV-LLVKDONJSA-N 1 0 372.403 -0.944 20 5 FBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCNC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000600721084 484944599 /nfs/dbraw/zinc/94/45/99/484944599.db2.gz LIBCBLIJXCODGO-AWEZNQCLSA-N 1 0 372.447 -0.081 20 5 FBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000600721085 484944632 /nfs/dbraw/zinc/94/46/32/484944632.db2.gz LIBCBLIJXCODGO-CQSZACIVSA-N 1 0 372.447 -0.081 20 5 FBBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000600722460 484944674 /nfs/dbraw/zinc/94/46/74/484944674.db2.gz FWCPRZSAULMMTG-CYBMUJFWSA-N 1 0 372.447 -0.081 20 5 FBBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNC[C@H](O)C[NH+]1CCCC1 ZINC000600722461 484945062 /nfs/dbraw/zinc/94/50/62/484945062.db2.gz FWCPRZSAULMMTG-ZDUSSCGKSA-N 1 0 372.447 -0.081 20 5 FBBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCCNC[C@H](O)C[NH+]2CCCC2)c1 ZINC000600722690 484945028 /nfs/dbraw/zinc/94/50/28/484945028.db2.gz SPFWPGZKGCNBLI-AWEZNQCLSA-N 1 0 372.447 -0.081 20 5 FBBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCCNC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000600722691 484944932 /nfs/dbraw/zinc/94/49/32/484944932.db2.gz SPFWPGZKGCNBLI-CQSZACIVSA-N 1 0 372.447 -0.081 20 5 FBBDRO CN1C2(CCC2)COC[C@]1(CO)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 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C[NH+](C)CC(=O)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736764933 598236520 /nfs/dbraw/zinc/23/65/20/598236520.db2.gz RYQWSEPISHXQSC-UHFFFAOYSA-N 1 0 361.366 -0.620 20 5 FBBDRO C[NH+](C)CCNC(=S)NNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000746344273 660590747 /nfs/dbraw/zinc/59/07/47/660590747.db2.gz QTRZSIMKDBMWDZ-UHFFFAOYSA-N 1 0 361.449 -0.045 20 5 FBBDRO CCn1cc(S(=O)(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])n1 ZINC000754794692 660659814 /nfs/dbraw/zinc/65/98/14/660659814.db2.gz VSNFARPPHYEVLO-GHMZBOCLSA-N 1 0 359.408 -0.047 20 5 FBBDRO CCn1cc(S(=O)(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])n1 ZINC000754794697 660659714 /nfs/dbraw/zinc/65/97/14/660659714.db2.gz VSNFARPPHYEVLO-MNOVXSKESA-N 1 0 359.408 -0.047 20 5 FBBDRO CCn1cc(S(=O)(=O)NC[C@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])n1 ZINC000754794699 660659669 /nfs/dbraw/zinc/65/96/69/660659669.db2.gz VSNFARPPHYEVLO-QWRGUYRKSA-N 1 0 359.408 -0.047 20 5 FBBDRO CCn1cc(S(=O)(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])n1 ZINC000754794701 660659802 /nfs/dbraw/zinc/65/98/02/660659802.db2.gz VSNFARPPHYEVLO-WDEREUQCSA-N 1 0 359.408 -0.047 20 5 FBBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000799144657 660960395 /nfs/dbraw/zinc/96/03/95/660960395.db2.gz DLNXDNGEQRBWLX-UHFFFAOYSA-N 1 0 354.411 -0.220 20 5 FBBDRO Cc1c(C(=O)NCC(=O)N2CC[NH2+]CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818562276 661059572 /nfs/dbraw/zinc/05/95/72/661059572.db2.gz ZZXREWOLUNAWGC-UHFFFAOYSA-N 1 0 351.319 -0.027 20 5 FBBDRO CS(=O)(=O)N1CCN(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818972809 661064910 /nfs/dbraw/zinc/06/49/10/661064910.db2.gz JVXYVBMCJBFHKE-HNNXBMFYSA-N 1 0 372.447 -0.205 20 5 FBBDRO CS(=O)(=O)N1CCN(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818972811 661064763 /nfs/dbraw/zinc/06/47/63/661064763.db2.gz JVXYVBMCJBFHKE-OAHLLOKOSA-N 1 0 372.447 -0.205 20 5 FBBDRO CS(=O)(=O)N1CCN(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818973194 661064894 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-0.103 20 5 FBBDRO CS(=O)(=O)CC[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000818981079 661065083 /nfs/dbraw/zinc/06/50/83/661065083.db2.gz OFJHOOPJBSASMH-UHFFFAOYSA-N 1 0 351.406 -0.493 20 5 FBBDRO CON(C)C(=O)CC[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000818981252 661065239 /nfs/dbraw/zinc/06/52/39/661065239.db2.gz QHAMERCAMLCDGB-UHFFFAOYSA-N 1 0 360.392 -0.127 20 5 FBBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCS(=O)(=O)N2CCOCC2)cc1 ZINC000818989356 661065276 /nfs/dbraw/zinc/06/52/76/661065276.db2.gz MATDWCDUOQROPB-AWEZNQCLSA-N 1 0 359.404 -0.120 20 5 FBBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCS(=O)(=O)N2CCOCC2)cc1 ZINC000818989357 661065247 /nfs/dbraw/zinc/06/52/47/661065247.db2.gz MATDWCDUOQROPB-CQSZACIVSA-N 1 0 359.404 -0.120 20 5 FBBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCS(=O)(=O)N2CCOCC2)c1 ZINC000818989677 661065111 /nfs/dbraw/zinc/06/51/11/661065111.db2.gz RBDCVKZIJONPKE-AWEZNQCLSA-N 1 0 359.404 -0.120 20 5 FBBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCS(=O)(=O)N2CCOCC2)c1 ZINC000818989678 661065280 /nfs/dbraw/zinc/06/52/80/661065280.db2.gz RBDCVKZIJONPKE-CQSZACIVSA-N 1 0 359.404 -0.120 20 5 FBBDRO CCNS(=O)(=O)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000819042857 661065682 /nfs/dbraw/zinc/06/56/82/661065682.db2.gz MYXAKABCEARWHR-UHFFFAOYSA-N 1 0 365.433 -0.103 20 5 FBBDRO CCS(=O)(=O)CC[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000819079983 661066061 /nfs/dbraw/zinc/06/60/61/661066061.db2.gz CVEVEOFKAKAHGE-UHFFFAOYSA-N 1 0 365.433 -0.103 20 5 FBBDRO CON(C)C(=O)CC[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000819081498 661066104 /nfs/dbraw/zinc/06/61/04/661066104.db2.gz LGUYMBCNXHMKRQ-UHFFFAOYSA-N 1 0 360.392 -0.127 20 5 FBBDRO CS(=O)(=O)CC[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000819083218 661066019 /nfs/dbraw/zinc/06/60/19/661066019.db2.gz YCHCFSDDIQFDPZ-UHFFFAOYSA-N 1 0 351.406 -0.493 20 5 FBBDRO C[NH+](C)CC(=O)N1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC000821583155 606644961 /nfs/dbraw/zinc/64/49/61/606644961.db2.gz KNFOHLYVKSIGRZ-UHFFFAOYSA-N 1 0 360.378 -0.015 20 5 FBBDRO C[NH+](C)CC(=O)N1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821583489 607167489 /nfs/dbraw/zinc/16/74/89/607167489.db2.gz XNEJUJMLMHJKAW-UHFFFAOYSA-N 1 0 361.366 -0.620 20 5 FBBDRO C[NH+]1CCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000821627400 606631692 /nfs/dbraw/zinc/63/16/92/606631692.db2.gz ZNTCTMPFLZNFHR-GFCCVEGCSA-N 1 0 363.378 -0.238 20 5 FBBDRO C[NH+]1CCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000821627401 606631520 /nfs/dbraw/zinc/63/15/20/606631520.db2.gz ZNTCTMPFLZNFHR-LBPRGKRZSA-N 1 0 363.378 -0.238 20 5 FBBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000823652287 607230129 /nfs/dbraw/zinc/23/01/29/607230129.db2.gz YWYLHSKMJKACGS-SECBINFHSA-N 1 0 359.354 -0.501 20 5 FBBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000823652288 607230265 /nfs/dbraw/zinc/23/02/65/607230265.db2.gz YWYLHSKMJKACGS-VIFPVBQESA-N 1 0 359.354 -0.501 20 5 FBBDRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000824909372 661101916 /nfs/dbraw/zinc/10/19/16/661101916.db2.gz LIENFGZBYSPHSG-HNNXBMFYSA-N 1 0 350.375 -0.139 20 5 FBBDRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000824909375 661101960 /nfs/dbraw/zinc/10/19/60/661101960.db2.gz LIENFGZBYSPHSG-OAHLLOKOSA-N 1 0 350.375 -0.139 20 5 FBBDRO C[NH+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC000825855112 607450631 /nfs/dbraw/zinc/45/06/31/607450631.db2.gz GMOSVAYRYZMATR-UHFFFAOYSA-N 1 0 360.378 -0.015 20 5 FBBDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CCn1cc([N+](=O)[O-])cn1 ZINC000825934202 608034783 /nfs/dbraw/zinc/03/47/83/608034783.db2.gz KUCQNLXIUWDKMU-UHFFFAOYSA-N 1 0 361.370 -0.159 20 5 FBBDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CCn1ccc([N+](=O)[O-])n1 ZINC000825935104 608035725 /nfs/dbraw/zinc/03/57/25/608035725.db2.gz UUJPLEZXIXNRJW-UHFFFAOYSA-N 1 0 361.370 -0.159 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@]1(F)CC[NH2+]C1 ZINC000827656380 661120895 /nfs/dbraw/zinc/12/08/95/661120895.db2.gz KXXGNHLLEBLVJB-CYBMUJFWSA-N 1 0 360.367 -0.309 20 5 FBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@]1(F)CC[NH2+]C1 ZINC000827656383 661120829 /nfs/dbraw/zinc/12/08/29/661120829.db2.gz KXXGNHLLEBLVJB-ZDUSSCGKSA-N 1 0 360.367 -0.309 20 5 FBBDRO C[NH+](C)CCCNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O ZINC000830078927 661137924 /nfs/dbraw/zinc/13/79/24/661137924.db2.gz LXRPLKMYJKHAID-UHFFFAOYSA-N 1 0 370.387 -0.193 20 5 FBBDRO CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C[C@@H](O)C[NH3+] ZINC000842475538 661189240 /nfs/dbraw/zinc/18/92/40/661189240.db2.gz RXTGVLQGQBJCKT-HNNXBMFYSA-N 1 0 351.407 -0.505 20 5 FBBDRO CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C[C@H](O)C[NH3+] ZINC000842475539 661189369 /nfs/dbraw/zinc/18/93/69/661189369.db2.gz RXTGVLQGQBJCKT-OAHLLOKOSA-N 1 0 351.407 -0.505 20 5 FBBDRO Cc1cc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)cc([N+](=O)[O-])c1F 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AJJNMSXLNUHIHG-HNNXBMFYSA-N 1 0 350.375 -0.139 20 5 FBBDRO C[NH+](C)CCN1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000846360970 661240724 /nfs/dbraw/zinc/24/07/24/661240724.db2.gz AJJNMSXLNUHIHG-OAHLLOKOSA-N 1 0 350.375 -0.139 20 5 FBBDRO [NH3+]C[C@@H]1CC(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)=NO1 ZINC000852822301 661309081 /nfs/dbraw/zinc/30/90/81/661309081.db2.gz NWIIJFPNBKKXIR-JTQLQIEISA-N 1 0 371.375 -0.907 20 5 FBBDRO [NH3+]C[C@H]1CC(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)=NO1 ZINC000852822302 661309123 /nfs/dbraw/zinc/30/91/23/661309123.db2.gz NWIIJFPNBKKXIR-SNVBAGLBSA-N 1 0 371.375 -0.907 20 5 FBBDRO [NH3+]C[C@@H]1CC(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)=NO1 ZINC000852823291 661309115 /nfs/dbraw/zinc/30/91/15/661309115.db2.gz FCMGMWNEOJDKGH-JTQLQIEISA-N 1 0 371.375 -0.907 20 5 FBBDRO [NH3+]C[C@H]1CC(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)=NO1 ZINC000852823292 661309044 /nfs/dbraw/zinc/30/90/44/661309044.db2.gz FCMGMWNEOJDKGH-SNVBAGLBSA-N 1 0 371.375 -0.907 20 5 FBBDRO [NH3+]C[C@H]1CC(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])=NO1 ZINC000852842770 661309056 /nfs/dbraw/zinc/30/90/56/661309056.db2.gz IENLCUUOOSAEIN-SECBINFHSA-N 1 0 371.375 -0.907 20 5 FBBDRO [NH3+]C[C@@H]1CC(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])=NO1 ZINC000852842771 661309000 /nfs/dbraw/zinc/30/90/00/661309000.db2.gz IENLCUUOOSAEIN-VIFPVBQESA-N 1 0 371.375 -0.907 20 5 FBBDRO C[NH+]1CCC(ONC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000854358194 661323111 /nfs/dbraw/zinc/32/31/11/661323111.db2.gz SDYTZXQFCVEBME-UHFFFAOYSA-N 1 0 358.376 -0.002 20 5 FBBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000854466646 661324982 /nfs/dbraw/zinc/32/49/82/661324982.db2.gz HNUYAQAYJGLBPF-LLVKDONJSA-N 1 0 355.347 -0.167 20 5 FBBDRO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](CO)C[NH+](C)C ZINC000854466647 661324859 /nfs/dbraw/zinc/32/48/59/661324859.db2.gz HNUYAQAYJGLBPF-NSHDSACASA-N 1 0 355.347 -0.167 20 5 FBBDRO CN(OCC(F)(F)F)C(=O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000857242245 661358612 /nfs/dbraw/zinc/35/86/12/661358612.db2.gz XBYPYRDIEHWBSP-SECBINFHSA-N 1 0 355.273 -0.306 20 5 FBBDRO CN(OCC(F)(F)F)C(=O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000857242246 661358572 /nfs/dbraw/zinc/35/85/72/661358572.db2.gz XBYPYRDIEHWBSP-VIFPVBQESA-N 1 0 355.273 -0.306 20 5 FBBDRO C[C@H]([NH3+])CN(C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000861564666 661395083 /nfs/dbraw/zinc/39/50/83/661395083.db2.gz MIGPUNGTKQQAKO-JTQLQIEISA-N 1 0 359.408 -0.138 20 5 FBBDRO C[C@@H]([NH3+])CN(C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000861564667 661395148 /nfs/dbraw/zinc/39/51/48/661395148.db2.gz MIGPUNGTKQQAKO-SNVBAGLBSA-N 1 0 359.408 -0.138 20 5 FBBDRO C[C@H]([NH3+])CN(C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000861565882 661395197 /nfs/dbraw/zinc/39/51/97/661395197.db2.gz GMVRPIHKQDPNBQ-JTQLQIEISA-N 1 0 359.408 -0.138 20 5 FBBDRO C[C@@H]([NH3+])CN(C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000861565885 661395202 /nfs/dbraw/zinc/39/52/02/661395202.db2.gz GMVRPIHKQDPNBQ-SNVBAGLBSA-N 1 0 359.408 -0.138 20 5 FBBDRO C[C@H]([NH3+])CN(C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000861584173 661395385 /nfs/dbraw/zinc/39/53/85/661395385.db2.gz NNFDPYBYXFTABA-JTQLQIEISA-N 1 0 359.408 -0.138 20 5 FBBDRO C[C@@H]([NH3+])CN(C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000861584174 661395393 /nfs/dbraw/zinc/39/53/93/661395393.db2.gz NNFDPYBYXFTABA-SNVBAGLBSA-N 1 0 359.408 -0.138 20 5 FBBDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000863752657 661426437 /nfs/dbraw/zinc/42/64/37/661426437.db2.gz WEQXLNHYZDRNDR-LLVKDONJSA-N 1 0 350.379 -0.556 20 5 FBBDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000863752658 661426388 /nfs/dbraw/zinc/42/63/88/661426388.db2.gz WEQXLNHYZDRNDR-NSHDSACASA-N 1 0 350.379 -0.556 20 5 FBBDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000863769175 661426972 /nfs/dbraw/zinc/42/69/72/661426972.db2.gz ZFJNHYGYXMYHCL-LLVKDONJSA-N 1 0 350.379 -0.556 20 5 FBBDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000863769176 661427342 /nfs/dbraw/zinc/42/73/42/661427342.db2.gz ZFJNHYGYXMYHCL-NSHDSACASA-N 1 0 350.379 -0.556 20 5 FBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(C2C[NH+](CC3CCOCC3)C2)CC1 ZINC000941406847 660263684 /nfs/dbraw/zinc/26/36/84/660263684.db2.gz GTSKISOQAVCXMF-HZPDHXFCSA-N 1 0 352.435 -0.093 20 5 FBBDRO CS(=O)(=O)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589346 660468777 /nfs/dbraw/zinc/46/87/77/660468777.db2.gz UFLIYHLMFCZFFK-XJFOESAGSA-N 1 0 359.448 -0.133 20 5 FBBDRO CN(C)C(=O)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC000949091809 661753573 /nfs/dbraw/zinc/75/35/73/661753573.db2.gz FWFZZZNODRUSOK-CHWSQXEVSA-N 1 0 354.407 -0.567 20 5 FBBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000954239825 661794835 /nfs/dbraw/zinc/79/48/35/661794835.db2.gz QVWZYJIIHQWXFL-ZIAGYGMSSA-N 1 0 354.407 -0.568 20 5 FBBDRO C[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@H]3C2)CC1 ZINC000961549360 661910544 /nfs/dbraw/zinc/91/05/44/661910544.db2.gz WMXKGWKZLOCRPG-LXTVHRRPSA-N 1 0 350.419 -0.090 20 5 FBBDRO O=C(NC1CC2(C1)CC([NH2+]CCN1CCNC1=O)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963790657 661983874 /nfs/dbraw/zinc/98/38/74/661983874.db2.gz KKGHCYFABGCKCK-FIRKGOOJSA-N 1 0 351.407 -0.306 20 5 FBBDRO O=C(C[NH+]1CCCC1)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC000965380260 662011926 /nfs/dbraw/zinc/01/19/26/662011926.db2.gz IMXVXGSWOJIEAI-CHWSQXEVSA-N 1 0 352.391 -0.813 20 5 FBBDRO O=C(C[NH+]1CCCC1)N1CCOC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000965388672 662012056 /nfs/dbraw/zinc/01/20/56/662012056.db2.gz RFXKAUUBCMAGCM-CHWSQXEVSA-N 1 0 352.391 -0.813 20 5 FBBDRO CC1CC[NH+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000976484465 658773583 /nfs/dbraw/zinc/77/35/83/658773583.db2.gz QVUVWFYOBZLPFB-SSZWKKLZSA-N 1 0 350.419 -0.044 20 5 FBBDRO C[NH+]1CCC(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000976493148 658773768 /nfs/dbraw/zinc/77/37/68/658773768.db2.gz MROGHEOLIXOCMJ-SSZWKKLZSA-N 1 0 350.419 -0.044 20 5 FBBDRO C[NH+]1CCC(CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]32)CC1 ZINC000976493620 658773823 /nfs/dbraw/zinc/77/38/23/658773823.db2.gz AYUHZSKNMDGYSY-SSZWKKLZSA-N 1 0 350.419 -0.044 20 5 FBBDRO CC1(C)CC[N@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000976497225 658773639 /nfs/dbraw/zinc/77/36/39/658773639.db2.gz XYVUHEWUQBBTJV-VVSAWPALSA-N 1 0 350.419 -0.044 20 5 FBBDRO CC1CC[NH+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]32)CC1 ZINC000977049802 658795568 /nfs/dbraw/zinc/79/55/68/658795568.db2.gz HFLYRAWQIFNTTB-SSZWKKLZSA-N 1 0 350.419 -0.044 20 5 FBBDRO CC1(C)CC[N@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]32)C1 ZINC000977199750 658798514 /nfs/dbraw/zinc/79/85/14/658798514.db2.gz RSXQTVAYQPOBJU-VVSAWPALSA-N 1 0 350.419 -0.044 20 5 FBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CCCN2C(=O)CNC2=O)CC1 ZINC000981137979 658867945 /nfs/dbraw/zinc/86/79/45/658867945.db2.gz JECVKSBVIATDPV-VXGBXAGGSA-N 1 0 353.379 -0.872 20 5 FBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CCN1CCNC1=O)C2 ZINC000981764738 658891583 /nfs/dbraw/zinc/89/15/83/658891583.db2.gz AYCXHMGQLFISSM-CHWSQXEVSA-N 1 0 351.407 -0.399 20 5 FBBDRO O=C(N[C@H]1C[C@H](C[NH2+]CC2CCS(=O)(=O)CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983653638 658983987 /nfs/dbraw/zinc/98/39/87/658983987.db2.gz KRVRBZYTWMCZIK-AAVRWANBSA-N 1 0 359.448 -0.039 20 5 FBBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2nnc3n2CCOC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983655692 658983963 /nfs/dbraw/zinc/98/39/63/658983963.db2.gz URGXNCIKHFYBHY-DDHJBXDOSA-N 1 0 350.379 -0.542 20 5 FBBDRO C[N@H+](CC(=O)N1CCOCC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430738 659881118 /nfs/dbraw/zinc/88/11/18/659881118.db2.gz IPNUYKMWOHXHGO-ZIAGYGMSSA-N 1 0 354.407 -0.567 20 5 FBBDRO C[N@H+](CCN1C(=O)CNC1=O)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430818 659881024 /nfs/dbraw/zinc/88/10/24/659881024.db2.gz CVRFPMIIJIRJRO-VXGBXAGGSA-N 1 0 353.379 -0.874 20 5 FBBDRO C[N@H+](CCN1C(=O)CCC1=O)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985434235 659880883 /nfs/dbraw/zinc/88/08/83/659880883.db2.gz RKDBJQQABPAJIQ-CHWSQXEVSA-N 1 0 352.391 -0.277 20 5 FBBDRO CC(C)[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000985829988 659897722 /nfs/dbraw/zinc/89/77/22/659897722.db2.gz VQODLXMAEZNHLU-ZIAGYGMSSA-N 1 0 353.423 -0.058 20 5 FBBDRO CCC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000985830219 659897752 /nfs/dbraw/zinc/89/77/52/659897752.db2.gz ZMHARYHZFCWORV-ZIAGYGMSSA-N 1 0 353.423 -0.057 20 5 FBBDRO CC(C)(C[NH+]1CCOCC1)C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000991286750 660052068 /nfs/dbraw/zinc/05/20/68/660052068.db2.gz GFAIXQZFJMPERR-CHWSQXEVSA-N 1 0 354.407 -0.663 20 5 FBBDRO C[NH+](C)CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC000991291177 660054476 /nfs/dbraw/zinc/05/44/76/660054476.db2.gz RUAFHVJWUPXFPS-CHWSQXEVSA-N 1 0 350.379 -0.950 20 5 FBBDRO C[NH+](C)CCn1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC000991291195 660054555 /nfs/dbraw/zinc/05/45/55/660054555.db2.gz SCCWSTAUKLMKNQ-DGCLKSJQSA-N 1 0 350.379 -0.950 20 5 FBBDRO C[NH+](C)CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC000992014445 660112983 /nfs/dbraw/zinc/11/29/83/660112983.db2.gz CSQOAUFKHHNSKP-CHWSQXEVSA-N 1 0 350.379 -0.950 20 5 FBBDRO C[NH+](C)CCn1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC000992059946 660113765 /nfs/dbraw/zinc/11/37/65/660113765.db2.gz KPFJEERKAKAINI-DGCLKSJQSA-N 1 0 350.379 -0.950 20 5 FBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCN2CCCS2(=O)=O)CC1 ZINC000996428378 660361388 /nfs/dbraw/zinc/36/13/88/660361388.db2.gz ABWUENLBYRAXCC-CHWSQXEVSA-N 1 0 360.436 -0.732 20 5 FBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2nnc3n2CCOC3)CC1 ZINC000996428465 660361413 /nfs/dbraw/zinc/36/14/13/660361413.db2.gz FMTSNRYLQJVHHM-VXGBXAGGSA-N 1 0 350.379 -0.446 20 5 FBBDRO O=C(NCC1=CC[N@H+](CCN2C(=O)CCC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000675863 662393845 /nfs/dbraw/zinc/39/38/45/662393845.db2.gz XHQJEWFJCNVOMS-CHWSQXEVSA-N 1 0 350.375 -0.451 20 5 FBBDRO O=C(NCC1CC[NH+](CCN2C(=O)CCC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001398326 662399297 /nfs/dbraw/zinc/39/92/97/662399297.db2.gz BXUKRJCRCWVJSR-CHWSQXEVSA-N 1 0 352.391 -0.371 20 5 FBBDRO O=C(C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCOCC1 ZINC001001398354 662399255 /nfs/dbraw/zinc/39/92/55/662399255.db2.gz CFSKDDRPWPLXBN-ZIAGYGMSSA-N 1 0 354.407 -0.661 20 5 FBBDRO O=C(NCC1CC[NH+](CCN2C(=O)CNC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001399234 662399196 /nfs/dbraw/zinc/39/91/96/662399196.db2.gz 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CCCOCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001055575552 662377732 /nfs/dbraw/zinc/37/77/32/662377732.db2.gz XGSPFYCEQITLAC-ZIAGYGMSSA-N 1 0 356.423 -0.225 20 5 FBBDRO CC(C)(O)CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001055575554 662377649 /nfs/dbraw/zinc/37/76/49/662377649.db2.gz XMBIRIBLSVSVFW-CHWSQXEVSA-N 1 0 356.423 -0.491 20 5 FBBDRO O=C(NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccon1 ZINC001055575585 662377642 /nfs/dbraw/zinc/37/76/42/662377642.db2.gz YTULSHPIAYHBEK-DGCLKSJQSA-N 1 0 351.363 -0.350 20 5 FBBDRO O=C(NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1csnn1 ZINC001055575586 662377664 /nfs/dbraw/zinc/37/76/64/662377664.db2.gz YUPIBEIUQAKPJP-ZYHUDNBSSA-N 1 0 368.419 -0.486 20 5 FBBDRO CC(C)OCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001055575594 662377786 /nfs/dbraw/zinc/37/77/86/662377786.db2.gz ZCKHFEBITGVEQI-ZIAGYGMSSA-N 1 0 356.423 -0.227 20 5 FBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001057543552 662407383 /nfs/dbraw/zinc/40/73/83/662407383.db2.gz OBZDZQKMFUXLHQ-CHWSQXEVSA-N 1 0 354.407 -0.783 20 5 FBBDRO CC(C)(C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[NH+]1CCCC1 ZINC001057544554 662407411 /nfs/dbraw/zinc/40/74/11/662407411.db2.gz HRIOVZBUKQXPPG-CHWSQXEVSA-N 1 0 356.423 -0.537 20 5 FBBDRO CC1CC[NH+](CC(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001057544875 662407826 /nfs/dbraw/zinc/40/78/26/662407826.db2.gz PFKOZWKUDJXVLW-ZIAGYGMSSA-N 1 0 356.423 -0.679 20 5 FBBDRO C[N@H+](CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(C)(C)C ZINC001057545556 662408142 /nfs/dbraw/zinc/40/81/42/662408142.db2.gz DQZIGKPFADGFJU-CHWSQXEVSA-N 1 0 358.439 -0.433 20 5 FBBDRO CC1(C)CC[N@H+](CC(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001057545668 662408018 /nfs/dbraw/zinc/40/80/18/662408018.db2.gz JWYDPPUUXWFGHL-CHWSQXEVSA-N 1 0 356.423 -0.679 20 5 FBBDRO C[NH+]1CCC(CC(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001057545997 662408325 /nfs/dbraw/zinc/40/83/25/662408325.db2.gz YXOAMNXQWKJXPK-ZIAGYGMSSA-N 1 0 356.423 -0.679 20 5 FBBDRO O=C(CCC[NH+]1CCCC1)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001057546582 662408364 /nfs/dbraw/zinc/40/83/64/662408364.db2.gz AAHYUYFLVXJMTK-ZIAGYGMSSA-N 1 0 356.423 -0.535 20 5 FBBDRO O=C(CC[NH+]1CCCCC1)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001057546965 662408567 /nfs/dbraw/zinc/40/85/67/662408567.db2.gz MTDCVZYXNRIEQS-ZIAGYGMSSA-N 1 0 356.423 -0.535 20 5 FBBDRO C[NH+]1CCC(CC(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001057573495 662409391 /nfs/dbraw/zinc/40/93/91/662409391.db2.gz MTFPCIVNQVAACY-ZIAGYGMSSA-N 1 0 356.423 -0.679 20 5 FBBDRO O=C(CCC[NH+]1CCCC1)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001057859259 662427814 /nfs/dbraw/zinc/42/78/14/662427814.db2.gz WOHPJUVLFUEVST-ZIAGYGMSSA-N 1 0 356.423 -0.535 20 5 FBBDRO O=C(CC[NH+]1CCCCC1)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001057861232 662427918 /nfs/dbraw/zinc/42/79/18/662427918.db2.gz MYBMIGSMEPYCKX-ZIAGYGMSSA-N 1 0 356.423 -0.535 20 5 FBBDRO O=C(NCCN(CCO)C(=O)C12CCC[NH+]1CCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001058148419 662437596 /nfs/dbraw/zinc/43/75/96/662437596.db2.gz QNQURGRBMPJLHW-CHWSQXEVSA-N 1 0 354.407 -0.783 20 5 FBBDRO CC(C)(C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[NH+]1CCCC1 ZINC001058282599 662440092 /nfs/dbraw/zinc/44/00/92/662440092.db2.gz JCEFOYYPGFWXLO-CHWSQXEVSA-N 1 0 356.423 -0.537 20 5 FBBDRO CC1CC[NH+](CC(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001058540522 679514682 /nfs/dbraw/zinc/51/46/82/679514682.db2.gz HVIUCVKLONIAHD-ZIAGYGMSSA-N 1 0 356.423 -0.679 20 5 FBBDRO CC1(C)CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001058850405 679533881 /nfs/dbraw/zinc/53/38/81/679533881.db2.gz OQRQAGRQALBTAA-CHWSQXEVSA-N 1 0 356.423 -0.679 20 5 FBBDRO C[N@H+](CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(C)(C)C ZINC001058850617 679533907 /nfs/dbraw/zinc/53/39/07/679533907.db2.gz WYRBCAGKINSTKL-CHWSQXEVSA-N 1 0 358.439 -0.433 20 5 FBBDRO CC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC001068394767 842173426 /nfs/dbraw/zinc/17/34/26/842173426.db2.gz FXLCZTQEIAJQAH-CHWSQXEVSA-N 1 0 354.407 -0.567 20 5 FBBDRO CC[NH+](CC)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC001068395082 842173499 /nfs/dbraw/zinc/17/34/99/842173499.db2.gz NIWUBHQNNQJSLY-CHWSQXEVSA-N 1 0 354.407 -0.567 20 5 FBBDRO C[NH+](C)CCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC001068395090 842173339 /nfs/dbraw/zinc/17/33/39/842173339.db2.gz NPIURUVLECCSHP-CHWSQXEVSA-N 1 0 354.407 -0.567 20 5 FBBDRO CCC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC001068395093 842173529 /nfs/dbraw/zinc/17/35/29/842173529.db2.gz NUMGKZZWLMWWPM-CHWSQXEVSA-N 1 0 354.407 -0.567 20 5 FBBDRO CC(C)[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC001068396420 842174680 /nfs/dbraw/zinc/17/46/80/842174680.db2.gz YQJGSGHKUSKPEQ-CHWSQXEVSA-N 1 0 354.407 -0.568 20 5 FBBDRO CC[NH+](CC)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001068399834 842174620 /nfs/dbraw/zinc/17/46/20/842174620.db2.gz QTWPQYQKRYXLTA-CHWSQXEVSA-N 1 0 354.407 -0.567 20 5 FBBDRO CC(C)[N@H+](C)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001068406565 842174726 /nfs/dbraw/zinc/17/47/26/842174726.db2.gz YPSLSPNPCBHOJK-CHWSQXEVSA-N 1 0 354.407 -0.568 20 5 FBBDRO CCC[N@H+](C)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001068420229 842175859 /nfs/dbraw/zinc/17/58/59/842175859.db2.gz IWFHSACWRLWWTM-CHWSQXEVSA-N 1 0 354.407 -0.567 20 5 FBBDRO C[NH+](C)CCCC(=O)N1CCOC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001068445622 842176849 /nfs/dbraw/zinc/17/68/49/842176849.db2.gz IMPAWDGTSWVHBN-CHWSQXEVSA-N 1 0 354.407 -0.567 20 5 FBBDRO CC[N@H+](C)CCC(=O)N1CCOC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001068460923 842177356 /nfs/dbraw/zinc/17/73/56/842177356.db2.gz AZHPNVDIDSICKW-CHWSQXEVSA-N 1 0 354.407 -0.567 20 5 FBBDRO CCC[N@H+](C)CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001070114076 842245620 /nfs/dbraw/zinc/24/56/20/842245620.db2.gz AOHSEPGVQAYQCI-CHWSQXEVSA-N 1 0 356.423 -0.225 20 5 FBBDRO C[NH+](C)CCCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001070114197 842245078 /nfs/dbraw/zinc/24/50/78/842245078.db2.gz FOBDGEOSZASOHB-CHWSQXEVSA-N 1 0 356.423 -0.225 20 5 FBBDRO CC(C)[N@H+](C)CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001070114275 842245669 /nfs/dbraw/zinc/24/56/69/842245669.db2.gz IFCNFFGEOJGFJZ-CHWSQXEVSA-N 1 0 356.423 -0.227 20 5 FBBDRO CC[NH+](CC)CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001070114281 842244490 /nfs/dbraw/zinc/24/44/90/842244490.db2.gz IWDTYFJSLLSULM-CHWSQXEVSA-N 1 0 356.423 -0.225 20 5 FBBDRO O=C(C[NH+]1CCCC1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001070114452 842244456 /nfs/dbraw/zinc/24/44/56/842244456.db2.gz QNTPVPFWOGAQAY-CHWSQXEVSA-N 1 0 354.407 -0.471 20 5 FBBDRO CC[N@H+](C)CCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001070114491 842244800 /nfs/dbraw/zinc/24/48/00/842244800.db2.gz SOOUIQAWMOFAKW-CHWSQXEVSA-N 1 0 356.423 -0.225 20 5 FBBDRO O=C(C[NH+]1CCCC1)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001070123526 842247045 /nfs/dbraw/zinc/24/70/45/842247045.db2.gz RGVLQCAAHAVRRM-CHWSQXEVSA-N 1 0 354.407 -0.471 20 5 FBBDRO CC[NH+](CC)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001070124983 842246997 /nfs/dbraw/zinc/24/69/97/842246997.db2.gz INDZQYVSRSPPKN-CHWSQXEVSA-N 1 0 356.423 -0.225 20 5 FBBDRO CC(C)[N@H+](C)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001070144193 842250683 /nfs/dbraw/zinc/25/06/83/842250683.db2.gz YTNAOOOOUIZSFC-CHWSQXEVSA-N 1 0 356.423 -0.227 20 5 FBBDRO CCC[N@H+](C)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001070183626 842258205 /nfs/dbraw/zinc/25/82/05/842258205.db2.gz OPWZVBBXYMEHKW-CHWSQXEVSA-N 1 0 356.423 -0.225 20 5 FBBDRO C[NH+](C)CCCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001070223303 842266672 /nfs/dbraw/zinc/26/66/72/842266672.db2.gz HNGIFTPLYURBAN-CHWSQXEVSA-N 1 0 356.423 -0.225 20 5 FBBDRO CC[N@H+](C)CCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001070250347 842271230 /nfs/dbraw/zinc/27/12/30/842271230.db2.gz NAQMIHZLOLMVIO-CHWSQXEVSA-N 1 0 356.423 -0.225 20 5 FBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCN1C(=O)CCC1=O)C2 ZINC001072726827 842339400 /nfs/dbraw/zinc/33/94/00/842339400.db2.gz SKZGIICKUAFLKW-VXGBXAGGSA-N 1 0 350.375 -0.665 20 5 FBBDRO C[NH+](C)CCOCC(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001073013213 842342607 /nfs/dbraw/zinc/34/26/07/842342607.db2.gz UWTHVYNAQHBPQN-CHWSQXEVSA-N 1 0 356.423 -0.273 20 5 FBBDRO C[NH+](C)CCOCC(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001073165433 842343396 /nfs/dbraw/zinc/34/33/96/842343396.db2.gz FCOSOHWTRSSWAL-CHWSQXEVSA-N 1 0 356.423 -0.273 20 5 FBBDRO CC(C)[N@H+](C)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001074584285 842361894 /nfs/dbraw/zinc/36/18/94/842361894.db2.gz ALHLAZMEJZCQIV-CHWSQXEVSA-N 1 0 356.423 -0.539 20 5 FBBDRO O=C(C[NH+]1CCCC1)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001074584422 842362344 /nfs/dbraw/zinc/36/23/44/842362344.db2.gz GTQQGHXGYWDFDL-CHWSQXEVSA-N 1 0 354.407 -0.783 20 5 FBBDRO CCC[N@H+](C)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001074584439 842361438 /nfs/dbraw/zinc/36/14/38/842361438.db2.gz HLKDBYDWIRVCRS-CHWSQXEVSA-N 1 0 356.423 -0.537 20 5 FBBDRO C[NH+](C)CCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001074584466 842362406 /nfs/dbraw/zinc/36/24/06/842362406.db2.gz IWNCPBDCMMJNHK-CHWSQXEVSA-N 1 0 356.423 -0.537 20 5 FBBDRO CC[N@H+](C)CCC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001074584486 842361335 /nfs/dbraw/zinc/36/13/35/842361335.db2.gz JRLKTOVFMPYYHA-CHWSQXEVSA-N 1 0 356.423 -0.537 20 5 FBBDRO CC[NH+](CC)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001074584889 842362579 /nfs/dbraw/zinc/36/25/79/842362579.db2.gz YVJRXDWPGOOACN-CHWSQXEVSA-N 1 0 356.423 -0.537 20 5 FBBDRO O=C(C[NH+]1CCCC1)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001074594427 842363831 /nfs/dbraw/zinc/36/38/31/842363831.db2.gz ZODQCCLCPZUQSJ-CHWSQXEVSA-N 1 0 354.407 -0.783 20 5 FBBDRO CC[NH+](CC)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001074595015 842362926 /nfs/dbraw/zinc/36/29/26/842362926.db2.gz FIUUFJKZKDMVHF-CHWSQXEVSA-N 1 0 356.423 -0.537 20 5 FBBDRO CC(C)[N@H+](C)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001074618064 842365651 /nfs/dbraw/zinc/36/56/51/842365651.db2.gz UOPUEZQLHUMSJR-CHWSQXEVSA-N 1 0 356.423 -0.539 20 5 FBBDRO CCC[N@H+](C)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001074656653 842367886 /nfs/dbraw/zinc/36/78/86/842367886.db2.gz VBLGDMIHVFNWEV-CHWSQXEVSA-N 1 0 356.423 -0.537 20 5 FBBDRO C[NH+](C)CCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001074696970 842370681 /nfs/dbraw/zinc/37/06/81/842370681.db2.gz OXUDHUVEGVBCGE-CHWSQXEVSA-N 1 0 356.423 -0.537 20 5 FBBDRO CC[N@H+](C)CCC(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001074728375 842372015 /nfs/dbraw/zinc/37/20/15/842372015.db2.gz HJRICEQXJKNPGO-CHWSQXEVSA-N 1 0 356.423 -0.537 20 5 FBBDRO COCC(=O)NCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001079155367 837870841 /nfs/dbraw/zinc/87/08/41/837870841.db2.gz WTPAUSXVRAMPOW-ZIAGYGMSSA-N 1 0 356.423 -0.271 20 5 FBBDRO COCC(=O)N1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001079160696 837870288 /nfs/dbraw/zinc/87/02/88/837870288.db2.gz FYBHQYUHVFVHGO-ZIAGYGMSSA-N 1 0 356.423 -0.271 20 5 FBBDRO 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C[NH+](C)CCCC(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001080856720 838106168 /nfs/dbraw/zinc/10/61/68/838106168.db2.gz RJFIJECOAGUMQP-CHWSQXEVSA-N 1 0 356.423 -0.537 20 5 FBBDRO O=C(C[NH+]1CCCC1)NC1(CO)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001080866347 838107202 /nfs/dbraw/zinc/10/72/02/838107202.db2.gz GYXPPSYSAOHVPT-CHWSQXEVSA-N 1 0 354.407 -0.783 20 5 FBBDRO CC[NH+](CC)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001080869142 838106682 /nfs/dbraw/zinc/10/66/82/838106682.db2.gz YRFRPVBPCRBOMA-CHWSQXEVSA-N 1 0 356.423 -0.537 20 5 FBBDRO CC(C)[N@H+](C)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001080889957 838110686 /nfs/dbraw/zinc/11/06/86/838110686.db2.gz GDPNIDAJRZTXJN-CHWSQXEVSA-N 1 0 356.423 -0.539 20 5 FBBDRO CCC[N@H+](C)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001080930302 838117107 /nfs/dbraw/zinc/11/71/07/838117107.db2.gz RIRIKZCRTUCDHM-CHWSQXEVSA-N 1 0 356.423 -0.537 20 5 FBBDRO C[NH+](C)CCCC(=O)NC1(CO)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001080972913 838119722 /nfs/dbraw/zinc/11/97/22/838119722.db2.gz AKZWQJIAXZUYSS-CHWSQXEVSA-N 1 0 356.423 -0.537 20 5 FBBDRO CC[N@H+](C)CCC(=O)NC1(CO)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001081001374 838126096 /nfs/dbraw/zinc/12/60/96/838126096.db2.gz ZSYADXWKZMBRED-CHWSQXEVSA-N 1 0 356.423 -0.537 20 5 FBBDRO O=C(NC[C@H]1C[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086083025 839229976 /nfs/dbraw/zinc/22/99/76/839229976.db2.gz KUOHKMNOEAIWKV-YVECIDJPSA-N 1 0 360.436 -0.829 20 5 FBBDRO O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086083280 839230218 /nfs/dbraw/zinc/23/02/18/839230218.db2.gz SQLWSSIHWUWROL-XJFOESAGSA-N 1 0 359.448 -0.039 20 5 FBBDRO O=C(NC[C@H]1C[C@H]([NH2+]CCN2CCCS2(=O)=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363269 839241557 /nfs/dbraw/zinc/24/15/57/839241557.db2.gz KUOHKMNOEAIWKV-FDYHWXHSSA-N 1 0 360.436 -0.829 20 5 FBBDRO 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CCOCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 ZINC001105235622 836082823 /nfs/dbraw/zinc/08/28/23/836082823.db2.gz LPXZZVMEVVCWLP-ZIAGYGMSSA-N 1 0 352.395 -0.157 20 5 FBBDRO COCCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 ZINC001105235721 836082987 /nfs/dbraw/zinc/08/29/87/836082987.db2.gz PUNNTSFOBVRWIC-ZIAGYGMSSA-N 1 0 352.395 -0.157 20 5 FBBDRO CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001115530682 842877543 /nfs/dbraw/zinc/87/75/43/842877543.db2.gz LJRNAUKWDTUCKH-GHMZBOCLSA-N 1 0 355.395 -0.484 20 5 FBBDRO CS(=O)(=O)NCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001115530819 842877686 /nfs/dbraw/zinc/87/76/86/842877686.db2.gz SRVSXLSHBVIORN-VXGBXAGGSA-N 1 0 362.452 -0.391 20 5 FBBDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001116018810 842893119 /nfs/dbraw/zinc/89/31/19/842893119.db2.gz QVNHPZGDMWHVDC-UHFFFAOYSA-N 1 0 353.383 -0.755 20 5 FBBDRO 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ZINC001117046396 843021661 /nfs/dbraw/zinc/02/16/61/843021661.db2.gz SVRSPLADNUGPJR-LLVKDONJSA-N 1 0 350.379 -0.492 20 5 FBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001117046397 843021588 /nfs/dbraw/zinc/02/15/88/843021588.db2.gz SVRSPLADNUGPJR-NSHDSACASA-N 1 0 350.379 -0.492 20 5 FBBDRO C[C@H](CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC001117106934 843036511 /nfs/dbraw/zinc/03/65/11/843036511.db2.gz OTLKNBGYQBYWQU-GFCCVEGCSA-N 1 0 352.395 -0.102 20 5 FBBDRO C[C@@H](CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC001117106935 843036102 /nfs/dbraw/zinc/03/61/02/843036102.db2.gz OTLKNBGYQBYWQU-LBPRGKRZSA-N 1 0 352.395 -0.102 20 5 FBBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001117291168 843063709 /nfs/dbraw/zinc/06/37/09/843063709.db2.gz XKEBSNXZDQLFHE-GFCCVEGCSA-N 1 0 352.395 -0.102 20 5 FBBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001117291169 843063087 /nfs/dbraw/zinc/06/30/87/843063087.db2.gz XKEBSNXZDQLFHE-LBPRGKRZSA-N 1 0 352.395 -0.102 20 5 FBBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001117377968 843089634 /nfs/dbraw/zinc/08/96/34/843089634.db2.gz OYBJTFUSGPWIEV-GFCCVEGCSA-N 1 0 352.395 -0.102 20 5 FBBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001117377969 843089542 /nfs/dbraw/zinc/08/95/42/843089542.db2.gz OYBJTFUSGPWIEV-LBPRGKRZSA-N 1 0 352.395 -0.102 20 5 FBBDRO CC(C)[NH+]1CCC(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC001117554041 843122136 /nfs/dbraw/zinc/12/21/36/843122136.db2.gz WUDXVRGXXBWQQX-UHFFFAOYSA-N 1 0 352.395 -0.104 20 5 FBBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001117565110 843124578 /nfs/dbraw/zinc/12/45/78/843124578.db2.gz RVDOBZNYVGQYNT-GFCCVEGCSA-N 1 0 352.395 -0.292 20 5 FBBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001117565111 843124928 /nfs/dbraw/zinc/12/49/28/843124928.db2.gz RVDOBZNYVGQYNT-LBPRGKRZSA-N 1 0 352.395 -0.292 20 5 FBBDRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC001117602581 843135223 /nfs/dbraw/zinc/13/52/23/843135223.db2.gz DDFSWFGAEHYBPC-UHFFFAOYSA-N 1 0 352.395 -0.150 20 5 FBBDRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001117603542 843135399 /nfs/dbraw/zinc/13/53/99/843135399.db2.gz KWUOYZIELSRGDI-UHFFFAOYSA-N 1 0 352.395 -0.292 20 5 FBBDRO CN1CCN(C(=O)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@H](C[NH3+])C1 ZINC001117978777 843182640 /nfs/dbraw/zinc/18/26/40/843182640.db2.gz OTLWPUYILBZCNK-GFCCVEGCSA-N 1 0 369.809 -0.034 20 5 FBBDRO CN1CCN(C(=O)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C[NH3+])C1 ZINC001117978778 843182614 /nfs/dbraw/zinc/18/26/14/843182614.db2.gz OTLWPUYILBZCNK-LBPRGKRZSA-N 1 0 369.809 -0.034 20 5 FBBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001118091789 843191851 /nfs/dbraw/zinc/19/18/51/843191851.db2.gz FBICYJQNSFEEHK-GFCCVEGCSA-N 1 0 352.395 -0.151 20 5 FBBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001118091790 843191557 /nfs/dbraw/zinc/19/15/57/843191557.db2.gz FBICYJQNSFEEHK-LBPRGKRZSA-N 1 0 352.395 -0.151 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC001118149428 843200153 /nfs/dbraw/zinc/20/01/53/843200153.db2.gz GMCJKQBWONEKGW-CYBMUJFWSA-N 1 0 373.435 -0.302 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC001118149429 843200167 /nfs/dbraw/zinc/20/01/67/843200167.db2.gz GMCJKQBWONEKGW-ZDUSSCGKSA-N 1 0 373.435 -0.302 20 5 FBBDRO CCCN(C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](C)C1 ZINC001118223135 843216258 /nfs/dbraw/zinc/21/62/58/843216258.db2.gz JPWWCDITGSRLQO-GFCCVEGCSA-N 1 0 352.395 -0.150 20 5 FBBDRO CCCN(C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](C)C1 ZINC001118223136 843216465 /nfs/dbraw/zinc/21/64/65/843216465.db2.gz JPWWCDITGSRLQO-LBPRGKRZSA-N 1 0 352.395 -0.150 20 5 FBBDRO O=C(CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)N1CC[NH2+]CC1 ZINC001118260803 843228055 /nfs/dbraw/zinc/22/80/55/843228055.db2.gz ISQLGTFMFJFRFA-UHFFFAOYSA-N 1 0 367.431 -0.154 20 5 FBBDRO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCC([NH2+]CCO)CC1 ZINC001118747239 843337507 /nfs/dbraw/zinc/33/75/07/843337507.db2.gz ZRINUYZOTXXWCI-UHFFFAOYSA-N 1 0 352.395 -0.228 20 5 FBBDRO [NH3+]C1(CNC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001118864881 843357433 /nfs/dbraw/zinc/35/74/33/843357433.db2.gz GJSWYMBNYPSTEY-UHFFFAOYSA-N 1 0 350.375 -0.122 20 5 FBBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001118865715 843358680 /nfs/dbraw/zinc/35/86/80/843358680.db2.gz PUGTUSDMAUOVMY-LLVKDONJSA-N 1 0 352.347 -0.676 20 5 FBBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001118865716 843358590 /nfs/dbraw/zinc/35/85/90/843358590.db2.gz PUGTUSDMAUOVMY-NSHDSACASA-N 1 0 352.347 -0.676 20 5 FBBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001118866918 843358642 /nfs/dbraw/zinc/35/86/42/843358642.db2.gz GGJIICDVLZKKBQ-JTQLQIEISA-N 1 0 356.766 -0.031 20 5 FBBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001118866927 843358618 /nfs/dbraw/zinc/35/86/18/843358618.db2.gz GGJIICDVLZKKBQ-SNVBAGLBSA-N 1 0 356.766 -0.031 20 5 FBBDRO C[NH2+]CCOCCNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001118871044 843360394 /nfs/dbraw/zinc/36/03/94/843360394.db2.gz DECMFXPZVVQIPE-UHFFFAOYSA-N 1 0 350.375 -0.168 20 5 FBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([N@H+](C)CCCO)CC2)n1 ZINC001118873669 838801897 /nfs/dbraw/zinc/80/18/97/838801897.db2.gz UDNBWPFPBSOAFV-UHFFFAOYSA-N 1 0 361.424 -0.204 20 5 FBBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001118918676 843372464 /nfs/dbraw/zinc/37/24/64/843372464.db2.gz BNZBTCNJPVSMSZ-LLVKDONJSA-N 1 0 352.347 -0.806 20 5 FBBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001118918677 843371731 /nfs/dbraw/zinc/37/17/31/843371731.db2.gz BNZBTCNJPVSMSZ-NSHDSACASA-N 1 0 352.347 -0.806 20 5 FBBDRO CN(CCOCC[NH3+])C(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001118962907 843383799 /nfs/dbraw/zinc/38/37/99/843383799.db2.gz OZIZXFRKANOHLD-UHFFFAOYSA-N 1 0 350.375 -0.087 20 5 FBBDRO NC(=O)CN1CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001120469810 843555470 /nfs/dbraw/zinc/55/54/70/843555470.db2.gz WTHZDDLJXVDSHF-UHFFFAOYSA-N 1 0 370.431 -0.092 20 5 FBBDRO CNC(=O)NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001121081702 843580994 /nfs/dbraw/zinc/58/09/94/843580994.db2.gz QJYKVFAIECEKII-IVMCCYTASA-N 1 0 353.379 -0.876 20 5 FBBDRO CS(=O)(=O)NCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001121087313 843580887 /nfs/dbraw/zinc/58/08/87/843580887.db2.gz CWYBJCBGXWOTMR-VTRUDKGBSA-N 1 0 360.436 -0.782 20 5 FBBDRO CN1CC[NH2+]C[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC001121847691 843593437 /nfs/dbraw/zinc/59/34/37/843593437.db2.gz CIDQOGMCGAUXFL-LLVKDONJSA-N 1 0 367.431 -0.156 20 5 FBBDRO CN1CC[NH2+]C[C@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC001121847692 843593569 /nfs/dbraw/zinc/59/35/69/843593569.db2.gz CIDQOGMCGAUXFL-NSHDSACASA-N 1 0 367.431 -0.156 20 5 FBBDRO CN(C)S(=O)(=O)c1cccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126936217 836561626 /nfs/dbraw/zinc/56/16/26/836561626.db2.gz BCTVFKVKJAWBOQ-ZIAGYGMSSA-N 1 0 370.431 -0.192 20 5 FBBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1nc2c(s1)CCC2 ZINC001126936260 836561323 /nfs/dbraw/zinc/56/13/23/836561323.db2.gz DCKZKYAGZXQUMR-PSASIEDQSA-N 1 0 353.404 -0.059 20 5 FBBDRO Cc1csc2nc(C[NH2+]CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc(=O)n12 ZINC001126936497 836561333 /nfs/dbraw/zinc/56/13/33/836561333.db2.gz LUOPZBGRRNBCNR-GHMZBOCLSA-N 1 0 351.388 -0.065 20 5 FBBDRO CN(C)S(=O)(=O)c1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001126936634 836561555 /nfs/dbraw/zinc/56/15/55/836561555.db2.gz NHWWIJNATYTPCB-ZIAGYGMSSA-N 1 0 370.431 -0.192 20 5 FBBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC(=O)NC1CCCCC1 ZINC001126936650 836560980 /nfs/dbraw/zinc/56/09/80/836560980.db2.gz ORHICAPGXGQQHD-VXGBXAGGSA-N 1 0 355.395 -0.484 20 5 FBBDRO CNS(=O)(=O)c1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001126936838 836561078 /nfs/dbraw/zinc/56/10/78/836561078.db2.gz UBSUYXIAHCQFSK-CHWSQXEVSA-N 1 0 356.404 -0.534 20 5 FBBDRO Cc1nc2sccn2c(=O)c1CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936921 836561302 /nfs/dbraw/zinc/56/13/02/836561302.db2.gz WYTOULVOFAVMQF-VXGBXAGGSA-N 1 0 365.415 -0.022 20 5 FBBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCCOc1ccccc1 ZINC001126938482 836563933 /nfs/dbraw/zinc/56/39/33/836563933.db2.gz AZNDYQNLQISWKT-ZIAGYGMSSA-N 1 0 350.375 -0.447 20 5 FBBDRO CS(=O)(=O)c1cccc(OCC[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126938541 836563801 /nfs/dbraw/zinc/56/38/01/836563801.db2.gz DIGPKLKYYUHKSK-ZIAGYGMSSA-N 1 0 371.415 -0.160 20 5 FBBDRO O=C(NCC[NH2+]CCNS(=O)(=O)c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126938551 836564138 /nfs/dbraw/zinc/56/41/38/836564138.db2.gz DXCXRHHEJGTGLN-CHWSQXEVSA-N 1 0 356.404 -0.664 20 5 FBBDRO COc1cccc(S(=O)(=O)CC[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126938719 836562408 /nfs/dbraw/zinc/56/24/08/836562408.db2.gz ICXPRNTYVDVRQZ-ZIAGYGMSSA-N 1 0 371.415 -0.160 20 5 FBBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCc1cc(F)cc(F)c1 ZINC001126938759 836563055 /nfs/dbraw/zinc/56/30/55/836563055.db2.gz JURAJIZDFXRIQQ-CHWSQXEVSA-N 1 0 356.329 -0.048 20 5 FBBDRO COc1ccccc1CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126938923 836564958 /nfs/dbraw/zinc/56/49/58/836564958.db2.gz NOSMDFKOXPGABY-CHWSQXEVSA-N 1 0 350.375 -0.318 20 5 FBBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCCc1ccc(F)cc1 ZINC001126939180 836563572 /nfs/dbraw/zinc/56/35/72/836563572.db2.gz QJYZMMLUPDKHGM-ZIAGYGMSSA-N 1 0 352.366 -0.145 20 5 FBBDRO CS(=O)(=O)c1ccc(OCC[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001126939224 836564200 /nfs/dbraw/zinc/56/42/00/836564200.db2.gz SQXGQLNQUACSML-ZIAGYGMSSA-N 1 0 371.415 -0.160 20 5 FBBDRO O=C(NCC[NH2+]CCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126939437 836564596 /nfs/dbraw/zinc/56/45/96/836564596.db2.gz YFMNGXFRNAYLNV-GHMZBOCLSA-N 1 0 353.379 -0.778 20 5 FBBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC(=O)NCc1cccs1 ZINC001126943107 836572542 /nfs/dbraw/zinc/57/25/42/836572542.db2.gz LHXLWCUXAHGQJO-GHMZBOCLSA-N 1 0 369.403 -0.555 20 5 FBBDRO COc1ccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001126943677 836573681 /nfs/dbraw/zinc/57/36/81/836573681.db2.gz SAEWSEFKUSQKSK-ZIAGYGMSSA-N 1 0 350.375 -0.318 20 5 FBBDRO COc1cccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126943962 836575102 /nfs/dbraw/zinc/57/51/02/836575102.db2.gz XJGOIGMCMXRLOG-ZIAGYGMSSA-N 1 0 350.375 -0.318 20 5 FBBDRO COCCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001131353753 839682293 /nfs/dbraw/zinc/68/22/93/839682293.db2.gz AURABLRCDRBKEU-ZIAGYGMSSA-N 1 0 356.423 -0.271 20 5 FBBDRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001132977685 839705788 /nfs/dbraw/zinc/70/57/88/839705788.db2.gz VSWKKIQTZJBZLI-HNNXBMFYSA-N 1 0 355.395 -0.095 20 5 FBBDRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001132977686 839706518 /nfs/dbraw/zinc/70/65/18/839706518.db2.gz VSWKKIQTZJBZLI-OAHLLOKOSA-N 1 0 355.395 -0.095 20 5 FBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC001140743329 843683895 /nfs/dbraw/zinc/68/38/95/843683895.db2.gz GYTLGSLBDOUUTQ-UHFFFAOYSA-N 1 0 352.395 -0.182 20 5 FBBDRO C[N@@H+]1CC[C@H](CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001142004514 843703164 /nfs/dbraw/zinc/70/31/64/843703164.db2.gz AOPFSBXRLXEDIC-LLVKDONJSA-N 1 0 356.404 -0.059 20 5 FBBDRO C[N@@H+]1CC[C@@H](CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001142004515 843702811 /nfs/dbraw/zinc/70/28/11/843702811.db2.gz AOPFSBXRLXEDIC-NSHDSACASA-N 1 0 356.404 -0.059 20 5 FBBDRO COC(=O)[C@@H]1CN(C)CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001142389231 843711717 /nfs/dbraw/zinc/71/17/17/843711717.db2.gz CBRVQCYRSOFWCS-LLVKDONJSA-N 1 0 352.347 -0.680 20 5 FBBDRO COC(=O)[C@H]1CN(C)CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001142389232 843711809 /nfs/dbraw/zinc/71/18/09/843711809.db2.gz CBRVQCYRSOFWCS-NSHDSACASA-N 1 0 352.347 -0.680 20 5 FBBDRO CC(C)NC(=O)NCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147506095 839931251 /nfs/dbraw/zinc/93/12/51/839931251.db2.gz CSQPBGUDVVGPAK-CHWSQXEVSA-N 1 0 353.423 -0.107 20 5 FBBDRO CN(CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)S(C)(=O)=O ZINC001147507000 839930679 /nfs/dbraw/zinc/93/06/79/839930679.db2.gz JORIRQXYRQHAPK-VXGBXAGGSA-N 1 0 360.436 -0.923 20 5 FBBDRO CC(=O)NCCOCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147507501 839931429 /nfs/dbraw/zinc/93/14/29/839931429.db2.gz PXQASQOQRQSINM-ZIAGYGMSSA-N 1 0 354.407 -0.661 20 5 FBBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001148079365 839942743 /nfs/dbraw/zinc/94/27/43/839942743.db2.gz QELHYALGOFPHEB-CYBMUJFWSA-N 1 0 350.375 -0.186 20 5 FBBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001148079367 839942823 /nfs/dbraw/zinc/94/28/23/839942823.db2.gz QELHYALGOFPHEB-ZDUSSCGKSA-N 1 0 350.375 -0.186 20 5 FBBDRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001148276324 839948948 /nfs/dbraw/zinc/94/89/48/839948948.db2.gz ZSRBECHFOPIFSR-UHFFFAOYSA-N 1 0 353.383 -0.897 20 5 FBBDRO CN(CC[N@H+](C)CCO)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001149203876 843729894 /nfs/dbraw/zinc/72/98/94/843729894.db2.gz CFRXNVDKZXEXLZ-UHFFFAOYSA-N 1 0 374.419 -0.744 20 5 FBBDRO C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001150954617 843747157 /nfs/dbraw/zinc/74/71/57/843747157.db2.gz NQNNIQXIENLOLA-CHWSQXEVSA-N 1 0 351.411 -0.329 20 5 FBBDRO C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001150954622 843747026 /nfs/dbraw/zinc/74/70/26/843747026.db2.gz NQNNIQXIENLOLA-OLZOCXBDSA-N 1 0 351.411 -0.329 20 5 FBBDRO C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001150954626 843747059 /nfs/dbraw/zinc/74/70/59/843747059.db2.gz NQNNIQXIENLOLA-QWHCGFSZSA-N 1 0 351.411 -0.329 20 5 FBBDRO C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001150954630 843747319 /nfs/dbraw/zinc/74/73/19/843747319.db2.gz NQNNIQXIENLOLA-STQMWFEESA-N 1 0 351.411 -0.329 20 5 FBBDRO COCCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCOCCO)CC1 ZINC001151122105 843749319 /nfs/dbraw/zinc/74/93/19/843749319.db2.gz YECHONGOHBZBNK-ZIAGYGMSSA-N 1 0 359.423 -0.352 20 5 FBBDRO CN1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1CO ZINC001151357820 843752591 /nfs/dbraw/zinc/75/25/91/843752591.db2.gz CUCWOWIIOUDNHN-LLVKDONJSA-N 1 0 368.415 -0.079 20 5 FBBDRO CN1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1CO ZINC001151357821 843752804 /nfs/dbraw/zinc/75/28/04/843752804.db2.gz CUCWOWIIOUDNHN-NSHDSACASA-N 1 0 368.415 -0.079 20 5 FBBDRO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC001153325562 843773759 /nfs/dbraw/zinc/77/37/59/843773759.db2.gz HOZBUBRFFYILPP-GFCCVEGCSA-N 1 0 352.395 -0.156 20 5 FBBDRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC001153325566 843773506 /nfs/dbraw/zinc/77/35/06/843773506.db2.gz HOZBUBRFFYILPP-LBPRGKRZSA-N 1 0 352.395 -0.156 20 5 FBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC001153703694 843776671 /nfs/dbraw/zinc/77/66/71/843776671.db2.gz ZTJNJDGOPHEALT-AWEZNQCLSA-N 1 0 357.388 -0.205 20 5 FBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC001153703703 843777422 /nfs/dbraw/zinc/77/74/22/843777422.db2.gz ZTJNJDGOPHEALT-CQSZACIVSA-N 1 0 357.388 -0.205 20 5 FBBDRO COC(=O)c1nc(Cl)nc(N(CC[NH3+])S(C)(=O)=O)c1[N+](=O)[O-] ZINC001154766095 839184116 /nfs/dbraw/zinc/18/41/16/839184116.db2.gz RHJNYYQNHJWSFC-UHFFFAOYSA-N 1 0 353.744 -0.451 20 5 FBBDRO CCOC(=O)c1nc(Cl)nc(N(CC[NH3+])S(C)(=O)=O)c1[N+](=O)[O-] ZINC001154766158 843795896 /nfs/dbraw/zinc/79/58/96/843795896.db2.gz VDFJIWQBUDTYFG-UHFFFAOYSA-N 1 0 367.771 -0.060 20 5 FBBDRO CCS(=O)(=O)N1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001154812553 843796921 /nfs/dbraw/zinc/79/69/21/843796921.db2.gz IVMGGRNFULTZMF-UHFFFAOYSA-N 1 0 356.408 -0.457 20 5 FBBDRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)Cn3cnc([N+](=O)[O-])n3)CC2)CC1 ZINC001155040853 843799806 /nfs/dbraw/zinc/79/98/06/843799806.db2.gz OIJMEAIOZQITJE-BETUJISGSA-N 1 0 351.411 -0.139 20 5 FBBDRO Nc1nc(=O)c2sc(=O)[nH]c2n1-c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001155453286 843807539 /nfs/dbraw/zinc/80/75/39/843807539.db2.gz GTCKOXVQZSDGBY-UHFFFAOYSA-N 1 0 362.331 -0.242 20 5 FBBDRO CS(=O)(=O)n1cc2c(n1)CN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)C2 ZINC001155759193 843814778 /nfs/dbraw/zinc/81/47/78/843814778.db2.gz WGVRPLADIJDJGU-UHFFFAOYSA-N 1 0 365.375 -0.404 20 5 FBBDRO CCOC(=O)c1nc(Cl)nc(N(C)S(=O)(=O)CC[NH3+])c1[N+](=O)[O-] ZINC001156231307 843819940 /nfs/dbraw/zinc/81/99/40/843819940.db2.gz FJHKOIFJWVSYLD-UHFFFAOYSA-N 1 0 367.771 -0.060 20 5 FBBDRO COC(=O)c1nc(Cl)nc(N(C)S(=O)(=O)CC[NH3+])c1[N+](=O)[O-] ZINC001156231910 839252082 /nfs/dbraw/zinc/25/20/82/839252082.db2.gz QSJZPCSOODWFOP-UHFFFAOYSA-N 1 0 353.744 -0.451 20 5 FBBDRO COC(=O)[C@@H]1C[C@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CN1 ZINC001156243166 843820701 /nfs/dbraw/zinc/82/07/01/843820701.db2.gz PNYVJNLFNWNVND-UWVGGRQHSA-N 1 0 351.367 -0.890 20 5 FBBDRO O=C(NCCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)N1CCOCC1 ZINC001157110133 843834226 /nfs/dbraw/zinc/83/42/26/843834226.db2.gz WYXLBWPSRFPUDK-UHFFFAOYSA-N 1 0 351.367 -0.475 20 5 FBBDRO CCOC(=O)[C@@H](Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])[C@@H](C)O ZINC001157267834 843836294 /nfs/dbraw/zinc/83/62/94/843836294.db2.gz YVBKJWPRFLWVTP-ZJUUUORDSA-N 1 0 354.367 -0.481 20 5 FBBDRO O=[N+]([O-])c1c(NC2CC3(C2)CS(=O)(=O)C3)ncnc1N1CC[NH2+]CC1 ZINC001157420648 843840578 /nfs/dbraw/zinc/84/05/78/843840578.db2.gz CRYACNFCSUYUQT-UHFFFAOYSA-N 1 0 368.419 -0.217 20 5 FBBDRO CS(=O)(=O)[C@H]1C[C@@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001157462812 843842825 /nfs/dbraw/zinc/84/28/25/843842825.db2.gz CHRZGDDRADBYKS-AOOOYVTPSA-N 1 0 356.408 -0.218 20 5 FBBDRO O=C(NCCC[NH2+]Cc1nnnn1CC(F)(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157766889 843847029 /nfs/dbraw/zinc/84/70/29/843847029.db2.gz BIGVZITVFRLKQZ-HTQZYQBOSA-N 1 0 351.289 -0.504 20 5 FBBDRO O=C(NCCC[NH2+]Cc1nnnn1C1CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767806 843847076 /nfs/dbraw/zinc/84/70/76/843847076.db2.gz VKSSXDXNLFWQSL-VXGBXAGGSA-N 1 0 353.383 -0.714 20 5 FBBDRO CNS(=O)(=O)c1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001157767811 843846834 /nfs/dbraw/zinc/84/68/34/843846834.db2.gz VQTSBDKQGZAUFG-ZIAGYGMSSA-N 1 0 370.431 -0.144 20 5 FBBDRO O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC(=O)NC1CCCC1 ZINC001157767851 843847175 /nfs/dbraw/zinc/84/71/75/843847175.db2.gz XVANJJXCTNZDMV-VXGBXAGGSA-N 1 0 355.395 -0.484 20 5 FBBDRO Cc1nn2c(nc(C[NH2+]CCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2=O)s1 ZINC001157767859 843846870 /nfs/dbraw/zinc/84/68/70/843846870.db2.gz YJPNEABQTDAIGE-GHMZBOCLSA-N 1 0 366.403 -0.279 20 5 FBBDRO CCCn1nccc1NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157774857 843847554 /nfs/dbraw/zinc/84/75/54/843847554.db2.gz DNLYEJUJSFSYFH-VXGBXAGGSA-N 1 0 352.395 -0.007 20 5 FBBDRO O=C(NCCC[NH2+]CCNS(=O)(=O)c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775001 843847788 /nfs/dbraw/zinc/84/77/88/843847788.db2.gz GTDNLGBLLMYPGO-ZIAGYGMSSA-N 1 0 370.431 -0.274 20 5 FBBDRO O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC(=O)NCC(F)(F)F ZINC001157775064 843847969 /nfs/dbraw/zinc/84/79/69/843847969.db2.gz KDAPCGKHIGXVFJ-HTQZYQBOSA-N 1 0 369.300 -0.864 20 5 FBBDRO COCCS(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775241 843847645 /nfs/dbraw/zinc/84/76/45/843847645.db2.gz MGCBBHNDPLEZMG-VXGBXAGGSA-N 1 0 351.425 -0.801 20 5 FBBDRO CC(C)CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775246 843847913 /nfs/dbraw/zinc/84/79/13/843847913.db2.gz MSFZQXVMGNYCOP-ZIAGYGMSSA-N 1 0 358.439 -0.074 20 5 FBBDRO CC1(C)NC(=O)N(CCC[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1=O ZINC001157775289 843847434 /nfs/dbraw/zinc/84/74/34/843847434.db2.gz NVSCGTGCGHJRKX-GHMZBOCLSA-N 1 0 355.395 -0.532 20 5 FBBDRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775295 843847473 /nfs/dbraw/zinc/84/74/73/843847473.db2.gz NZEUFHCRCDTHAZ-CHWSQXEVSA-N 1 0 352.395 -0.860 20 5 FBBDRO Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775604 843847453 /nfs/dbraw/zinc/84/74/53/843847453.db2.gz ROHDPTHKXYYJPY-VXGBXAGGSA-N 1 0 352.395 -0.263 20 5 FBBDRO Cc1cc(=O)n2nc(C[NH2+]CCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])sc2n1 ZINC001157775791 843847953 /nfs/dbraw/zinc/84/79/53/843847953.db2.gz WWHFICZPQZGOPI-NXEZZACHSA-N 1 0 366.403 -0.279 20 5 FBBDRO CN(C)S(=O)(=O)CCNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001158021406 843852663 /nfs/dbraw/zinc/85/26/63/843852663.db2.gz MZAULQIINVUOGA-UHFFFAOYSA-N 1 0 359.412 -0.902 20 5 FBBDRO COC(=O)c1nc(Cl)nc(-n2cncc2C[C@@H]([NH3+])CO)c1[N+](=O)[O-] ZINC001158203804 843855379 /nfs/dbraw/zinc/85/53/79/843855379.db2.gz HSJPOMRNLAOZCF-ZCFIWIBFSA-N 1 0 356.726 -0.127 20 5 FBBDRO COC(=O)[C@@H]1C[C@@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CN1 ZINC001158254329 843857154 /nfs/dbraw/zinc/85/71/54/843857154.db2.gz PNYVJNLFNWNVND-ZJUUUORDSA-N 1 0 351.367 -0.890 20 5 FBBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCC(O)CC1 ZINC001158273669 843857980 /nfs/dbraw/zinc/85/79/80/843857980.db2.gz GNTSRQTZKHWFBE-UHFFFAOYSA-N 1 0 350.375 -0.103 20 5 FBBDRO C[C@@]1(Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC001159483322 843882878 /nfs/dbraw/zinc/88/28/78/843882878.db2.gz SDRINLQLFFRCMP-CYBMUJFWSA-N 1 0 356.408 -0.217 20 5 FBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001159860690 843890944 /nfs/dbraw/zinc/89/09/44/843890944.db2.gz YRXOVQAYLLKCPW-SWLSCSKDSA-N 1 0 353.379 -0.558 20 5 FBBDRO O=C(NCCC1=CC[N@H+](CCN2CCNC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160107812 843895108 /nfs/dbraw/zinc/89/51/08/843895108.db2.gz UPJJNVNQIAKDBU-ZIAGYGMSSA-N 1 0 351.407 -0.185 20 5 FBBDRO O=[N+]([O-])c1cnc(NCCN2CCS(=O)(=O)CC2)nc1C1C[NH2+]C1 ZINC001160653504 843906930 /nfs/dbraw/zinc/90/69/30/843906930.db2.gz LYULDFLJJPSENK-UHFFFAOYSA-N 1 0 356.408 -0.786 20 5 FBBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NCCN(CC[NH3+])N(O)N=O)n1 ZINC001161095723 843916624 /nfs/dbraw/zinc/91/66/24/843916624.db2.gz GWFWUGOLRLYSTQ-UHFFFAOYSA-N 1 0 357.331 -0.388 20 5 FBBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001162093686 843930280 /nfs/dbraw/zinc/93/02/80/843930280.db2.gz NFESQPYULIRMSK-LBPRGKRZSA-N 1 0 351.411 -0.073 20 5 FBBDRO CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(N(CC[NH3+])S(C)(=O)=O)n1 ZINC001162123751 837669988 /nfs/dbraw/zinc/66/99/88/837669988.db2.gz CXFMJARYJHHILR-UHFFFAOYSA-N 1 0 373.800 -0.834 20 5 FBBDRO CCOC(=O)COc1ncc(N(CC[NH3+])S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001162128818 843930243 /nfs/dbraw/zinc/93/02/43/843930243.db2.gz KXNROWISFHSEOQ-UHFFFAOYSA-N 1 0 362.364 -0.344 20 5 FBBDRO CS(=O)(=O)N(CC[NH3+])c1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001162129107 843930210 /nfs/dbraw/zinc/93/02/10/843930210.db2.gz SMEHUDVIXUTHJX-UHFFFAOYSA-N 1 0 355.170 -0.285 20 5 FBBDRO CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])(COC)CC1 ZINC001162263979 843930721 /nfs/dbraw/zinc/93/07/21/843930721.db2.gz CBSSQKSGTAVJSB-CHWSQXEVSA-N 1 0 356.423 -0.368 20 5 FBBDRO COCC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CC(=O)N(C)C)CC1 ZINC001162264200 843930787 /nfs/dbraw/zinc/93/07/87/843930787.db2.gz FYCMHERJGAZFAW-CHWSQXEVSA-N 1 0 356.423 -0.415 20 5 FBBDRO COCC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCOCCO)CC1 ZINC001162264672 843930935 /nfs/dbraw/zinc/93/09/35/843930935.db2.gz SIHQIFYXUVPZHT-ZIAGYGMSSA-N 1 0 359.423 -0.495 20 5 FBBDRO CCC[C@H](N(CC[NH3+])c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)S(=O)(=O)[O-] ZINC001162268469 843931642 /nfs/dbraw/zinc/93/16/42/843931642.db2.gz RSCILOKMJVRQNZ-LLVKDONJSA-N 1 0 374.423 -0.149 20 5 FBBDRO CCC[C@@H](N(CC[NH3+])c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)S(=O)(=O)[O-] ZINC001162268470 843931906 /nfs/dbraw/zinc/93/19/06/843931906.db2.gz RSCILOKMJVRQNZ-NSHDSACASA-N 1 0 374.423 -0.149 20 5 FBBDRO COC(=O)C(C(=O)OC)c1ncc(N[C@@H]2COC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC001162921356 843939201 /nfs/dbraw/zinc/93/92/01/843939201.db2.gz XEHRAEKOFWJPRP-DTWKUNHWSA-N 1 0 354.319 -0.443 20 5 FBBDRO COC(=O)[C@@H](Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001162946076 843938816 /nfs/dbraw/zinc/93/88/16/843938816.db2.gz SDGAUGMOMRCMLI-SNVBAGLBSA-N 1 0 354.367 -0.088 20 5 FBBDRO Nc1nc(=O)c2sc(=O)[nH]c2n1-c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001163041877 843939831 /nfs/dbraw/zinc/93/98/31/843939831.db2.gz MQPKKMLSXTZLGO-UHFFFAOYSA-N 1 0 362.331 -0.242 20 5 FBBDRO O=[N+]([O-])c1c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)ncnc1N1CCOCC1 ZINC001163102658 843941008 /nfs/dbraw/zinc/94/10/08/843941008.db2.gz YPCYCLOBQKJLOX-IJLUTSLNSA-N 1 0 350.379 -0.132 20 5 FBBDRO CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)n1 ZINC001163137479 843941298 /nfs/dbraw/zinc/94/12/98/843941298.db2.gz MSDBREGDYFHKFA-FSDSQADBSA-N 1 0 363.783 -0.160 20 5 FBBDRO O=[N+]([O-])c1c(NC[C@]23C[NH2+]C[C@H]2COC3)ncnc1N1CCOCC1 ZINC001163154729 843941391 /nfs/dbraw/zinc/94/13/91/843941391.db2.gz WHUUTEGLTHFDKO-NHYWBVRUSA-N 1 0 350.379 -0.131 20 5 FBBDRO CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(NC[C@@]23C[NH2+][C@@H](CO2)C3)n1 ZINC001163190941 843942220 /nfs/dbraw/zinc/94/22/20/843942220.db2.gz CCIMTXNPPYDMGP-KSBSHMNSSA-N 1 0 363.783 -0.016 20 5 FBBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cc([N+](=O)[O-])cc(Br)[n+]2[O-])N1 ZINC001163252884 843942131 /nfs/dbraw/zinc/94/21/31/843942131.db2.gz XQDJSAMODSMLPO-CPCISQLKSA-N 1 0 358.152 -0.019 20 5 FBBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cc([N+](=O)[O-])cc(Br)[n+]2[O-])N1 ZINC001163252886 843942314 /nfs/dbraw/zinc/94/23/14/843942314.db2.gz XQDJSAMODSMLPO-HQJQHLMTSA-N 1 0 358.152 -0.019 20 5 FBBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cc([N+](=O)[O-])cc(Br)[n+]2[O-])N1 ZINC001163252888 843942000 /nfs/dbraw/zinc/94/20/00/843942000.db2.gz XQDJSAMODSMLPO-RDDDGLTNSA-N 1 0 358.152 -0.019 20 5 FBBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cc([N+](=O)[O-])cc(Br)[n+]2[O-])N1 ZINC001163252890 843942362 /nfs/dbraw/zinc/94/23/62/843942362.db2.gz XQDJSAMODSMLPO-WRWORJQWSA-N 1 0 358.152 -0.019 20 5 FBBDRO CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)n1 ZINC001163336200 843943125 /nfs/dbraw/zinc/94/31/25/843943125.db2.gz JNIPHMGNTKNCFA-CHKWXVPMSA-N 1 0 363.783 -0.017 20 5 FBBDRO COC(=O)N1CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1 ZINC001163681419 843944290 /nfs/dbraw/zinc/94/42/90/843944290.db2.gz BHCGLXYVMVQGTO-UHFFFAOYSA-N 1 0 351.367 -0.317 20 5 FBBDRO CCOC(=O)CN1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001163806590 843945108 /nfs/dbraw/zinc/94/51/08/843945108.db2.gz KOIRRSIQSMHQPY-UHFFFAOYSA-N 1 0 350.379 -0.243 20 5 FBBDRO COC(=O)C(C(=O)OC)c1ncc(N(CC[NH3+])CCO)cc1[N+](=O)[O-] ZINC001163831703 843945132 /nfs/dbraw/zinc/94/51/32/843945132.db2.gz FVTXJEAKACVWMZ-UHFFFAOYSA-N 1 0 356.335 -0.823 20 5 FBBDRO COC(=O)C(C(=O)OC)c1cc(N(CC[NH3+])CCO)ccc1[N+](=O)[O-] ZINC001163839277 843945500 /nfs/dbraw/zinc/94/55/00/843945500.db2.gz IEWBWHHHPHDRFU-UHFFFAOYSA-N 1 0 355.347 -0.218 20 5 FBBDRO COC(=O)[C@]1(F)CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001163987920 843946155 /nfs/dbraw/zinc/94/61/55/843946155.db2.gz AFXOTURIYDAZBA-AWEZNQCLSA-N 1 0 354.342 -0.114 20 5 FBBDRO COC(=O)[C@@]1(F)CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001163987922 843945836 /nfs/dbraw/zinc/94/58/36/843945836.db2.gz AFXOTURIYDAZBA-CQSZACIVSA-N 1 0 354.342 -0.114 20 5 FBBDRO O=[N+]([O-])c1cnc(N2C[C@](O)(C(F)(F)F)C[C@H]2CO)nc1C1C[NH2+]C1 ZINC001164162266 843946909 /nfs/dbraw/zinc/94/69/09/843946909.db2.gz QIAQDPJXLGHMDF-UFBFGSQYSA-N 1 0 363.296 -0.064 20 5 FBBDRO CN(c1nc(S(C)(=O)=O)nc(Cl)c1[N+](=O)[O-])S(=O)(=O)CC[NH3+] ZINC001164287506 843947606 /nfs/dbraw/zinc/94/76/06/843947606.db2.gz SSBWQFQTYYMARU-UHFFFAOYSA-N 1 0 373.800 -0.834 20 5 FBBDRO CN(c1cc([N+](=O)[O-])cc(Br)[n+]1[O-])S(=O)(=O)CC[NH3+] ZINC001164296630 843947965 /nfs/dbraw/zinc/94/79/65/843947965.db2.gz IDLXOQMSDXLFQQ-UHFFFAOYSA-N 1 0 355.170 -0.285 20 5 FBBDRO CCOC(=O)COc1ncc(N(C)S(=O)(=O)CC[NH3+])cc1[N+](=O)[O-] ZINC001164296919 843947567 /nfs/dbraw/zinc/94/75/67/843947567.db2.gz SHNUTRJSTIVGFN-UHFFFAOYSA-N 1 0 362.364 -0.344 20 5 FBBDRO COC(=O)c1nc(Cl)nc(N2CCN3CC[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164390259 718830888 /nfs/dbraw/zinc/83/08/88/718830888.db2.gz CYXGZDQTEUEVHA-MRVPVSSYSA-N 1 0 356.770 -0.081 20 5 FBBDRO COC(=O)c1nc(Cl)nc(N2CCN3CC[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC001164390260 718830792 /nfs/dbraw/zinc/83/07/92/718830792.db2.gz CYXGZDQTEUEVHA-QMMMGPOBSA-N 1 0 356.770 -0.081 20 5 FBBDRO CCNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164490178 843948661 /nfs/dbraw/zinc/94/86/61/843948661.db2.gz BDYHSUKHHBLKCQ-GHMZBOCLSA-N 1 0 355.395 -0.627 20 5 FBBDRO COCCCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164490378 843948244 /nfs/dbraw/zinc/94/82/44/843948244.db2.gz HAERFCTUGLZEEQ-CHWSQXEVSA-N 1 0 356.423 -0.320 20 5 FBBDRO O=C(C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCOCC1 ZINC001164490739 843948667 /nfs/dbraw/zinc/94/86/67/843948667.db2.gz UVNIMJVPSPNQCS-CHWSQXEVSA-N 1 0 354.407 -0.614 20 5 FBBDRO CCOCCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164490973 843948564 /nfs/dbraw/zinc/94/85/64/843948564.db2.gz VIUNUCDFDMJJFN-CHWSQXEVSA-N 1 0 356.423 -0.320 20 5 FBBDRO O=C(NCCC1(C[NH2+]CCN2C(=O)CCC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494250 843948634 /nfs/dbraw/zinc/94/86/34/843948634.db2.gz AZNZYQVVPQCWAX-VXGBXAGGSA-N 1 0 352.391 -0.323 20 5 FBBDRO CCS(=O)(=O)NCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164494305 843948682 /nfs/dbraw/zinc/94/86/82/843948682.db2.gz DZDIEPWHTHJFIR-VXGBXAGGSA-N 1 0 362.452 -0.533 20 5 FBBDRO O=C(NCCC1(C[NH2+]CCN2C(=O)CNC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494391 843948486 /nfs/dbraw/zinc/94/84/86/843948486.db2.gz ICGCLMXNTHZVRE-GHMZBOCLSA-N 1 0 353.379 -0.921 20 5 FBBDRO CC(=O)NCCOCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164494563 843948750 /nfs/dbraw/zinc/94/87/50/843948750.db2.gz MLZDPXZQSMNUSD-ZIAGYGMSSA-N 1 0 356.423 -0.320 20 5 FBBDRO CN(CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC001164494859 843948727 /nfs/dbraw/zinc/94/87/27/843948727.db2.gz WDLLGDPSSKPNBT-VXGBXAGGSA-N 1 0 362.452 -0.581 20 5 FBBDRO COC(=O)[C@@H]1C[C@H](F)CN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001165231015 843950706 /nfs/dbraw/zinc/95/07/06/843950706.db2.gz IHMSBTFTLBNAKH-UWVGGRQHSA-N 1 0 354.342 -0.116 20 5 FBBDRO CC(C)(C)N(C[C@@H](O)CO)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001165234279 843950589 /nfs/dbraw/zinc/95/05/89/843950589.db2.gz CPALXQJVCBGQQL-LLVKDONJSA-N 1 0 354.411 -0.248 20 5 FBBDRO COc1nc(N2CC(=O)NC3(CC[NH2+]CC3)C2)nc(OC)c1[N+](=O)[O-] ZINC001165256438 843950661 /nfs/dbraw/zinc/95/06/61/843950661.db2.gz XXEKOFOWSPTUTP-UHFFFAOYSA-N 1 0 352.351 -0.540 20 5 FBBDRO COC(=O)c1nc(Cl)nc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c1[N+](=O)[O-] ZINC001165283715 843950782 /nfs/dbraw/zinc/95/07/82/843950782.db2.gz KLYUUOBDYIGZCQ-UHLUBPPHSA-N 1 0 357.754 -0.157 20 5 FBBDRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001165496015 843953266 /nfs/dbraw/zinc/95/32/66/843953266.db2.gz GCGJKCVNFTXZTO-UHFFFAOYSA-N 1 0 369.359 -0.172 20 5 FBBDRO CS(=O)(=O)[C@H]1CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001166711789 843960817 /nfs/dbraw/zinc/96/08/17/843960817.db2.gz XBVHRGVCWWZLND-JTQLQIEISA-N 1 0 356.408 -0.582 20 5 FBBDRO COC(=O)c1nc(Cl)nc(N2C[C@H]([NH3+])C[C@H]2C(=O)OC)c1[N+](=O)[O-] ZINC001166962534 843964646 /nfs/dbraw/zinc/96/46/46/843964646.db2.gz ZBWBIZWPCZZFTF-RITPCOANSA-N 1 0 359.726 -0.096 20 5 FBBDRO COC(=O)c1nc(Cl)nc(N(C2C[NH2+]C2)S(C)(=O)=O)c1[N+](=O)[O-] ZINC001166967457 843964473 /nfs/dbraw/zinc/96/44/73/843964473.db2.gz MHUYYPSDILNXKP-UHFFFAOYSA-N 1 0 365.755 -0.437 20 5 FBBDRO CN(c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])C1CCS(=O)(=O)CC1 ZINC001167099711 835982497 /nfs/dbraw/zinc/98/24/97/835982497.db2.gz GDODPRYVDLHHFD-UHFFFAOYSA-N 1 0 370.435 -0.192 20 5 FBBDRO O=C(NCCNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])N1CCOCC1 ZINC001167890574 836096482 /nfs/dbraw/zinc/09/64/82/836096482.db2.gz ULKDMAVMANZPFH-UHFFFAOYSA-N 1 0 351.367 -0.475 20 5 FBBDRO C[NH+]1CCN(C(=N)Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC001168735843 837663189 /nfs/dbraw/zinc/66/31/89/837663189.db2.gz GDWRDXXYNGTWLS-UHFFFAOYSA-N 1 0 350.383 -0.185 20 5 FBBDRO COC(=O)C(C(=O)OC)c1cc(-n2nnnc2C[NH3+])ccc1[N+](=O)[O-] ZINC001168924422 839252169 /nfs/dbraw/zinc/25/21/69/839252169.db2.gz VZMAIERTWXQKCD-UHFFFAOYSA-N 1 0 350.291 -0.541 20 5 FBBDRO Cc1cn(CC(=O)NCC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c(=O)[nH]c1=O ZINC001168984908 839253284 /nfs/dbraw/zinc/25/32/84/839253284.db2.gz BHXGVVHGPUWLMW-NEPJUHHUSA-N 1 0 353.379 -0.591 20 5 FBBDRO Cc1cn(CC(=O)NCC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c(=O)[nH]c1=O ZINC001168984914 839253193 /nfs/dbraw/zinc/25/31/93/839253193.db2.gz BHXGVVHGPUWLMW-NWDGAFQWSA-N 1 0 353.379 -0.591 20 5 FBBDRO Cc1cn(CC(=O)NCC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c(=O)[nH]c1=O ZINC001168984915 839253181 /nfs/dbraw/zinc/25/31/81/839253181.db2.gz BHXGVVHGPUWLMW-RYUDHWBXSA-N 1 0 353.379 -0.591 20 5 FBBDRO Cc1cn(CC(=O)NCC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c(=O)[nH]c1=O ZINC001168984917 839253225 /nfs/dbraw/zinc/25/32/25/839253225.db2.gz BHXGVVHGPUWLMW-VXGBXAGGSA-N 1 0 353.379 -0.591 20 5 FBBDRO CN(CC[NH3+])CCNc1nc(S(C)(=O)=O)nc(Cl)c1[N+](=O)[O-] ZINC001170497365 839621448 /nfs/dbraw/zinc/62/14/48/839621448.db2.gz JAKXDPHLNKUWGA-UHFFFAOYSA-N 1 0 352.804 -0.256 20 5 FBBDRO [NH3+]CCOCCOCCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001170506861 839630575 /nfs/dbraw/zinc/63/05/75/839630575.db2.gz CGBFHYMROIRFAS-UHFFFAOYSA-N 1 0 356.383 -0.375 20 5 FBBDRO CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2C[NH2+]C[C@H]2CO)n1 ZINC001170779324 839736121 /nfs/dbraw/zinc/73/61/21/839736121.db2.gz XTYRJXNPODKRBD-NTSWFWBYSA-N 1 0 351.772 -0.566 20 5 FBBDRO CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2C[NH2+]C[C@@H]2CO)n1 ZINC001170779325 839735983 /nfs/dbraw/zinc/73/59/83/839735983.db2.gz XTYRJXNPODKRBD-PHDIDXHHSA-N 1 0 351.772 -0.566 20 5 FBBDRO CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(N[C@H]2C[NH2+]C[C@@H]2CO)n1 ZINC001170779326 839736091 /nfs/dbraw/zinc/73/60/91/839736091.db2.gz XTYRJXNPODKRBD-RITPCOANSA-N 1 0 351.772 -0.566 20 5 FBBDRO CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(N[C@H]2C[NH2+]C[C@H]2CO)n1 ZINC001170779327 839736198 /nfs/dbraw/zinc/73/61/98/839736198.db2.gz XTYRJXNPODKRBD-WDSKDSINSA-N 1 0 351.772 -0.566 20 5 FBBDRO CC[C@@]([NH3+])(CO)Nc1cnc(C(C(=O)OC)C(=O)OC)c([N+](=O)[O-])c1 ZINC001170863870 839749839 /nfs/dbraw/zinc/74/98/39/839749839.db2.gz GKBRNKYORIRDRM-AWEZNQCLSA-N 1 0 356.335 -0.111 20 5 FBBDRO CC[C@]([NH3+])(CO)Nc1cnc(C(C(=O)OC)C(=O)OC)c([N+](=O)[O-])c1 ZINC001170863873 839749881 /nfs/dbraw/zinc/74/98/81/839749881.db2.gz GKBRNKYORIRDRM-CQSZACIVSA-N 1 0 356.335 -0.111 20 5 FBBDRO CCOC(=O)CN(CC[NH3+])c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001170992612 839778007 /nfs/dbraw/zinc/77/80/07/839778007.db2.gz HHLHSRCYJWJAPM-UHFFFAOYSA-N 1 0 354.367 -0.450 20 5 FBBDRO NC(=O)C([NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)C(N)=O ZINC001173011857 840267443 /nfs/dbraw/zinc/26/74/43/840267443.db2.gz MFBKZXFTBDKDPI-UHFFFAOYSA-N 1 0 357.317 -0.229 20 5 FBBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+]C(CO)CO)CC1 ZINC001173692122 840273541 /nfs/dbraw/zinc/27/35/41/840273541.db2.gz FLNHDKRTUDDDJW-UHFFFAOYSA-N 1 0 359.404 -0.309 20 5 FBBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+]C[C@@H](O)CO)CC1 ZINC001173692222 840273964 /nfs/dbraw/zinc/27/39/64/840273964.db2.gz GRJWQJQLZILAFE-GFCCVEGCSA-N 1 0 359.404 -0.309 20 5 FBBDRO NC(=O)[C@@H](CO)[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173692669 840274738 /nfs/dbraw/zinc/27/47/38/840274738.db2.gz ARRWUSGOJNSNNQ-LLVKDONJSA-N 1 0 372.403 -0.816 20 5 FBBDRO NC(=O)[C@H](CO)[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173692671 840273622 /nfs/dbraw/zinc/27/36/22/840273622.db2.gz ARRWUSGOJNSNNQ-NSHDSACASA-N 1 0 372.403 -0.816 20 5 FBBDRO C[N@H+](CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)CCOCCO ZINC001175822722 840289454 /nfs/dbraw/zinc/28/94/54/840289454.db2.gz QFUIZJAIELSYOX-UHFFFAOYSA-N 1 0 355.347 -0.006 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@@]3(CO)CCCC[C@@]3(CO)C2)c1 ZINC001176767391 840300983 /nfs/dbraw/zinc/30/09/83/840300983.db2.gz ICODCSFFHXQGEM-HRCADAONSA-N 1 0 354.407 -0.001 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@]3(CO)CCCC[C@@]3(CO)C2)c1 ZINC001176767392 840301421 /nfs/dbraw/zinc/30/14/21/840301421.db2.gz ICODCSFFHXQGEM-OAGGEKHMSA-N 1 0 354.407 -0.001 20 5 FBBDRO CN(CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])S(C)(=O)=O ZINC001178458418 840334615 /nfs/dbraw/zinc/33/46/15/840334615.db2.gz GQSOZELGCNWYPE-CHWSQXEVSA-N 1 0 364.468 -0.191 20 5 FBBDRO CCNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458562 840334731 /nfs/dbraw/zinc/33/47/31/840334731.db2.gz LWCMQLJQFQPWNC-VXGBXAGGSA-N 1 0 357.411 -0.237 20 5 FBBDRO O=C(C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCOCC1 ZINC001178458584 840334506 /nfs/dbraw/zinc/33/45/06/840334506.db2.gz MYDLZSAKLXSJGZ-ZIAGYGMSSA-N 1 0 356.423 -0.223 20 5 FBBDRO CCS(=O)(=O)NCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178463212 840334681 /nfs/dbraw/zinc/33/46/81/840334681.db2.gz AGFYOBLIZPEUAN-CHWSQXEVSA-N 1 0 364.468 -0.143 20 5 FBBDRO CS(=O)(=O)NCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178464702 840334623 /nfs/dbraw/zinc/33/46/23/840334623.db2.gz YJUAJVSEMDIOJA-VXGBXAGGSA-N 1 0 350.441 -0.533 20 5 FBBDRO O=C(NCCCCCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178464742 840334129 /nfs/dbraw/zinc/33/41/29/840334129.db2.gz ZZQCWNOUYYDBAU-VXGBXAGGSA-N 1 0 355.395 -0.530 20 5 FBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001181413404 840402391 /nfs/dbraw/zinc/40/23/91/840402391.db2.gz NVCHWXWZFBHOSQ-SWLSCSKDSA-N 1 0 353.379 -0.558 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)c1 ZINC001192022978 840887651 /nfs/dbraw/zinc/88/76/51/840887651.db2.gz TUOJSQXGEKKQJO-MNOVXSKESA-N 1 0 356.301 -0.240 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)c1 ZINC001192022979 840888202 /nfs/dbraw/zinc/88/82/02/840888202.db2.gz TUOJSQXGEKKQJO-QWRGUYRKSA-N 1 0 356.301 -0.240 20 5 FBBDRO C[NH+](C)CCCS(=O)(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001194484885 841161713 /nfs/dbraw/zinc/16/17/13/841161713.db2.gz VDJHCBFDMDKRTR-ZIAGYGMSSA-N 1 0 361.420 -0.140 20 5 FBBDRO CN(C)S(=O)(=O)CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195768529 841277432 /nfs/dbraw/zinc/27/74/32/841277432.db2.gz CVBWRTAILYTNBV-CHWSQXEVSA-N 1 0 362.452 -0.533 20 5 FBBDRO O=C(CCN1CCN2[C@H](CNS2(=O)=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001198062589 841528199 /nfs/dbraw/zinc/52/81/99/841528199.db2.gz UYDWMJUOCVBCSD-CYBMUJFWSA-N 1 0 369.403 -0.242 20 5 FBBDRO O=C(CCN1CCN2[C@@H](CNS2(=O)=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001198062594 841528861 /nfs/dbraw/zinc/52/88/61/841528861.db2.gz UYDWMJUOCVBCSD-ZDUSSCGKSA-N 1 0 369.403 -0.242 20 5 FBBDRO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCC(F)(F)F ZINC001200461342 852200707 /nfs/dbraw/zinc/20/07/07/852200707.db2.gz BGFKJOUBLWPBHQ-NXEZZACHSA-N 1 0 352.313 -0.089 20 5 FBBDRO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CCOCC1 ZINC001200461476 852200433 /nfs/dbraw/zinc/20/04/33/852200433.db2.gz DLFMEMGHBZEYLL-ZIAGYGMSSA-N 1 0 354.407 -0.473 20 5 FBBDRO CCCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200461827 852200582 /nfs/dbraw/zinc/20/05/82/852200582.db2.gz MPTHSFBGOMWIMK-VXGBXAGGSA-N 1 0 355.395 -0.532 20 5 FBBDRO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC(=O)NC1CC1 ZINC001200461974 852200892 /nfs/dbraw/zinc/20/08/92/852200892.db2.gz OOBWUZOUVNHLIO-VXGBXAGGSA-N 1 0 353.379 -0.780 20 5 FBBDRO CCS(=O)(=O)NCCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200471045 852202990 /nfs/dbraw/zinc/20/29/90/852202990.db2.gz CKIIJNDYJYAZMS-CHWSQXEVSA-N 1 0 362.452 -0.438 20 5 FBBDRO CN(C)S(=O)(=O)CCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200471406 852202623 /nfs/dbraw/zinc/20/26/23/852202623.db2.gz HDTNPQDCXFLBBW-CHWSQXEVSA-N 1 0 362.452 -0.486 20 5 FBBDRO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1nncs1 ZINC001200473002 852204281 /nfs/dbraw/zinc/20/42/81/852204281.db2.gz XQBLQIRURAPXHJ-NXEZZACHSA-N 1 0 354.392 -0.278 20 5 FBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCCN2C(=O)CNC2=O)CC1 ZINC001200473005 852204506 /nfs/dbraw/zinc/20/45/06/852204506.db2.gz XRKZEDKOCQSVSQ-VXGBXAGGSA-N 1 0 353.379 -0.826 20 5 FBBDRO CN(CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC001205223468 843969179 /nfs/dbraw/zinc/96/91/79/843969179.db2.gz BNDPYZBKCBRIQI-CHWSQXEVSA-N 1 0 362.452 -0.629 20 5 FBBDRO CCNC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205223517 843969557 /nfs/dbraw/zinc/96/95/57/843969557.db2.gz DIMKGRDIXCZEGG-VXGBXAGGSA-N 1 0 355.395 -0.675 20 5 FBBDRO CCOCCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205223807 843969467 /nfs/dbraw/zinc/96/94/67/843969467.db2.gz ISDNBVIELQBMSY-ZIAGYGMSSA-N 1 0 356.423 -0.368 20 5 FBBDRO COCCCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205224411 843969433 /nfs/dbraw/zinc/96/94/33/843969433.db2.gz SNLQHLYYYSVTAX-ZIAGYGMSSA-N 1 0 356.423 -0.368 20 5 FBBDRO O=C(C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1nncs1 ZINC001205224713 843969372 /nfs/dbraw/zinc/96/93/72/843969372.db2.gz XIMKBYDIKSWAID-GHMZBOCLSA-N 1 0 368.419 -0.030 20 5 FBBDRO O=C(C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCOCC1 ZINC001205224782 843969484 /nfs/dbraw/zinc/96/94/84/843969484.db2.gz ZYSVBMAEHHMQGW-ZIAGYGMSSA-N 1 0 354.407 -0.661 20 5 FBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001205229600 843969488 /nfs/dbraw/zinc/96/94/88/843969488.db2.gz FVGRUCKOPHYXSW-VXGBXAGGSA-N 1 0 353.379 -0.968 20 5 FBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CCN2C(=O)CCC2=O)CC1 ZINC001205229952 843969564 /nfs/dbraw/zinc/96/95/64/843969564.db2.gz KEUBYLRXUSQTQG-CHWSQXEVSA-N 1 0 352.391 -0.371 20 5 FBBDRO CCS(=O)(=O)NCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205230701 843969206 /nfs/dbraw/zinc/96/92/06/843969206.db2.gz TYPXNXZJKLHWHV-CHWSQXEVSA-N 1 0 362.452 -0.581 20 5 FBBDRO CC(=O)NCCOCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205230896 843969453 /nfs/dbraw/zinc/96/94/53/843969453.db2.gz XGKJCNBDPXKITI-HUUCEWRRSA-N 1 0 356.423 -0.368 20 5 FBBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001216481242 844590668 /nfs/dbraw/zinc/59/06/68/844590668.db2.gz XSEATYCKCJXTGE-UHFFFAOYSA-N 1 0 350.379 -0.042 20 5 FBBDRO CCOCCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001223106463 845745260 /nfs/dbraw/zinc/74/52/60/845745260.db2.gz URDPPKCCVAHZLT-ZIAGYGMSSA-N 1 0 356.423 -0.368 20 5 FBBDRO COCCCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001223113764 845745006 /nfs/dbraw/zinc/74/50/06/845745006.db2.gz BYZYXTIQKURZOW-ZIAGYGMSSA-N 1 0 356.423 -0.368 20 5 FBBDRO CN(CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC001223114000 845745237 /nfs/dbraw/zinc/74/52/37/845745237.db2.gz GCAQHSWBKRWMBD-CHWSQXEVSA-N 1 0 362.452 -0.629 20 5 FBBDRO CC(=O)NCCOCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001223114804 845745027 /nfs/dbraw/zinc/74/50/27/845745027.db2.gz SUPVSHIZWXAKNS-HUUCEWRRSA-N 1 0 356.423 -0.368 20 5 FBBDRO CCS(=O)(=O)NCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001223114950 845745348 /nfs/dbraw/zinc/74/53/48/845745348.db2.gz YCLBWZVUFFDAAK-CHWSQXEVSA-N 1 0 362.452 -0.581 20 5 FBBDRO COCCC[NH+]1CCC(OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)CC1 ZINC001224800651 845792646 /nfs/dbraw/zinc/79/26/46/845792646.db2.gz SXPOAXFOEAMOAN-UHFFFAOYSA-N 1 0 360.367 -0.404 20 5 FBBDRO COCCOCCOCCOCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224934674 845795437 /nfs/dbraw/zinc/79/54/37/845795437.db2.gz WMIDUOXYJFVSJD-OAHLLOKOSA-N 1 0 352.448 -0.317 20 5 FBBDRO CCOC(=O)[C@](C)(CCOC(=O)C[C@@H](O)C[N+](C)(C)C)S(C)(=O)=O ZINC001225067912 845798470 /nfs/dbraw/zinc/79/84/70/845798470.db2.gz IRRJAKNMCVAVRQ-DOMZBBRYSA-N 1 0 368.472 -0.257 20 5 FBBDRO CCS(=O)(=O)NCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001227258123 845848033 /nfs/dbraw/zinc/84/80/33/845848033.db2.gz KXKPXEIIQFVJQK-CHWSQXEVSA-N 1 0 362.452 -0.438 20 5 FBBDRO CN(C)S(=O)(=O)CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001227258299 845847887 /nfs/dbraw/zinc/84/78/87/845847887.db2.gz MXKVLGLUEQTXFK-CHWSQXEVSA-N 1 0 362.452 -0.486 20 5 FBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncc(Br)nc1C(N)=O ZINC001230198662 845925227 /nfs/dbraw/zinc/92/52/27/845925227.db2.gz SVWIWMLKJAMQKM-SSDOTTSWSA-O 1 0 362.204 -0.299 20 5 FBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC001233623219 846000942 /nfs/dbraw/zinc/00/09/42/846000942.db2.gz HWCZTADRGRPKCQ-SNVBAGLBSA-N 1 0 362.384 -0.395 20 5 FBBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)n2nc(S(C)(=O)=O)nc2n1 ZINC001234833890 846022768 /nfs/dbraw/zinc/02/27/68/846022768.db2.gz 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COc1cc(N2CCC([NH2+]C(CO)(CO)CO)CC2)ccc1[N+](=O)[O-] ZINC001256086940 846329217 /nfs/dbraw/zinc/32/92/17/846329217.db2.gz JIEDQOSBWKKCOF-UHFFFAOYSA-N 1 0 355.391 -0.123 20 5 FBBDRO COc1cc(N2CCC([NH2+]C(C(N)=O)C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC001256086965 846329345 /nfs/dbraw/zinc/32/93/45/846329345.db2.gz KPNVAZBRBSTIHB-UHFFFAOYSA-N 1 0 351.363 -0.499 20 5 FBBDRO C[N@@H+]1CCN(CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1(C)C ZINC001256581548 846344275 /nfs/dbraw/zinc/34/42/75/846344275.db2.gz PWLRCANFFMNAGE-UHFFFAOYSA-N 1 0 351.407 -0.101 20 5 FBBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001258375028 846412726 /nfs/dbraw/zinc/41/27/26/846412726.db2.gz XMZVBIHQUZBFQT-CHWSQXEVSA-N 1 0 352.395 -0.104 20 5 FBBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001258375037 846412687 /nfs/dbraw/zinc/41/26/87/846412687.db2.gz XMZVBIHQUZBFQT-OLZOCXBDSA-N 1 0 352.395 -0.104 20 5 FBBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 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/nfs/dbraw/zinc/49/96/66/846499666.db2.gz AELCJHOTGZUWOG-VXGBXAGGSA-N 1 0 352.395 -0.151 20 5 FBBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001261165091 846499633 /nfs/dbraw/zinc/49/96/33/846499633.db2.gz KOLLWVZZGUDQAV-AAEUAGOBSA-N 1 0 352.395 -0.294 20 5 FBBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001261165092 846499115 /nfs/dbraw/zinc/49/91/15/846499115.db2.gz KOLLWVZZGUDQAV-DGCLKSJQSA-N 1 0 352.395 -0.294 20 5 FBBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001261165093 846500389 /nfs/dbraw/zinc/50/03/89/846500389.db2.gz KOLLWVZZGUDQAV-WCQYABFASA-N 1 0 352.395 -0.294 20 5 FBBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001261165094 846500520 /nfs/dbraw/zinc/50/05/20/846500520.db2.gz KOLLWVZZGUDQAV-YPMHNXCESA-N 1 0 352.395 -0.294 20 5 FBBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001261165501 846500416 /nfs/dbraw/zinc/50/04/16/846500416.db2.gz SNUHVINKOMXEBG-GFCCVEGCSA-N 1 0 352.395 -0.150 20 5 FBBDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001261165502 846500356 /nfs/dbraw/zinc/50/03/56/846500356.db2.gz SNUHVINKOMXEBG-LBPRGKRZSA-N 1 0 352.395 -0.150 20 5 FBBDRO CN(C)C(=O)CN1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001261436729 846532938 /nfs/dbraw/zinc/53/29/38/846532938.db2.gz JSJXTORWEXBOFU-AWEZNQCLSA-N 1 0 354.411 -0.706 20 5 FBBDRO CN(C)C(=O)CN1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001261436730 846532852 /nfs/dbraw/zinc/53/28/52/846532852.db2.gz JSJXTORWEXBOFU-CQSZACIVSA-N 1 0 354.411 -0.706 20 5 FBBDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3c([N+](=O)[O-])cnn3C)CC2)C1=O ZINC001261440666 846534015 /nfs/dbraw/zinc/53/40/15/846534015.db2.gz QPORYPUGNCUJHT-LLVKDONJSA-N 1 0 350.379 -0.247 20 5 FBBDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3c([N+](=O)[O-])cnn3C)CC2)C1=O ZINC001261440667 846533669 /nfs/dbraw/zinc/53/36/69/846533669.db2.gz QPORYPUGNCUJHT-NSHDSACASA-N 1 0 350.379 -0.247 20 5 FBBDRO C[NH2+]CCCC(=O)N1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001261645120 846587540 /nfs/dbraw/zinc/58/75/40/846587540.db2.gz WJSZSCWMCICAKR-UHFFFAOYSA-N 1 0 352.395 -0.102 20 5 FBBDRO [NH3+]CCCOCCNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001261823980 846627224 /nfs/dbraw/zinc/62/72/24/846627224.db2.gz NQNCHGWERSQYRM-UHFFFAOYSA-N 1 0 350.375 -0.039 20 5 FBBDRO C[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001262034708 846671948 /nfs/dbraw/zinc/67/19/48/846671948.db2.gz LLZTVSQYFMNGIX-NSHDSACASA-N 1 0 350.379 -0.508 20 5 FBBDRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C2)CC1 ZINC001262190870 846684121 /nfs/dbraw/zinc/68/41/21/846684121.db2.gz CFGAMVYUZUURED-UHFFFAOYSA-N 1 0 355.420 -0.142 20 5 FBBDRO NC(=O)CN1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001262557782 846738029 /nfs/dbraw/zinc/73/80/29/846738029.db2.gz MKQXJFRWDMGUHH-CYBMUJFWSA-N 1 0 352.391 -0.126 20 5 FBBDRO NC(=O)CN1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001262557783 846737934 /nfs/dbraw/zinc/73/79/34/846737934.db2.gz MKQXJFRWDMGUHH-ZDUSSCGKSA-N 1 0 352.391 -0.126 20 5 FBBDRO Cc1nnc(NC(=O)C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 ZINC001263831922 846773898 /nfs/dbraw/zinc/77/38/98/846773898.db2.gz FJHOHAFPKZGPGI-LMLFDSFASA-N 1 0 368.419 -0.065 20 5 FBBDRO O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Nc1nncs1 ZINC001264390750 846817200 /nfs/dbraw/zinc/81/72/00/846817200.db2.gz FPBSFDQQEQFBGV-UTINFBMNSA-N 1 0 354.392 -0.374 20 5 FBBDRO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NC(=O)NC(C)(C)C ZINC001264985080 846854817 /nfs/dbraw/zinc/85/48/17/846854817.db2.gz LXTMSLYTEZMTRK-GHMZBOCLSA-N 1 0 357.411 -0.286 20 5 FBBDRO CN(CC(F)(F)F)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001265538639 846862116 /nfs/dbraw/zinc/86/21/16/846862116.db2.gz GTCNEOQDXPVZPV-UTINFBMNSA-N 1 0 352.313 -0.091 20 5 FBBDRO CN(CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC001266181912 846866929 /nfs/dbraw/zinc/86/69/29/846866929.db2.gz VAUQRYTWWLQBER-CHWSQXEVSA-N 1 0 362.452 -0.534 20 5 FBBDRO Cn1cc(CN2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001266263117 835974196 /nfs/dbraw/zinc/97/41/96/835974196.db2.gz UYLFLXOGYTWCDI-HUUCEWRRSA-N 1 0 350.423 -0.291 20 5 FBBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCN1C(=O)NC(C)(C)C1=O ZINC001266391110 835985121 /nfs/dbraw/zinc/98/51/21/835985121.db2.gz ZMIKNLBWRQKUOR-GHMZBOCLSA-N 1 0 355.395 -0.580 20 5 FBBDRO Cc1nnc(NC(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 ZINC001266683333 836007523 /nfs/dbraw/zinc/00/75/23/836007523.db2.gz LXNNMKJPHSQFLM-UTINFBMNSA-N 1 0 354.392 -0.313 20 5 FBBDRO O=C(NC1(C[NH2+]CCN2C(=O)CCC2=O)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267837910 836080172 /nfs/dbraw/zinc/08/01/72/836080172.db2.gz XSKJXKJSBNOIEF-VXGBXAGGSA-N 1 0 352.391 -0.181 20 5 FBBDRO CCN(CC[NH2+]CC(=O)Nc1cc(C)nn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268450093 836101522 /nfs/dbraw/zinc/10/15/22/836101522.db2.gz OGLXWRNVXRZARS-VXGBXAGGSA-N 1 0 352.395 -0.230 20 5 FBBDRO NC(=O)NC(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001269704632 836127403 /nfs/dbraw/zinc/12/74/03/836127403.db2.gz URERSBWOKAJGHX-GHMZBOCLSA-N 1 0 353.379 -0.839 20 5 FBBDRO CC(C)N(C)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001271037746 836258429 /nfs/dbraw/zinc/25/84/29/836258429.db2.gz BDVSYXNTBAAUHR-CHWSQXEVSA-N 1 0 356.423 -0.227 20 5 FBBDRO C[N@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)CC(=O)NC(N)=O ZINC001271771862 836389572 /nfs/dbraw/zinc/38/95/72/836389572.db2.gz BAJILMLZODNFQT-VXGBXAGGSA-N 1 0 355.395 -0.593 20 5 FBBDRO Cn1nccc1C[NH2+]C1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001271911553 836405840 /nfs/dbraw/zinc/40/58/40/836405840.db2.gz HPBKVNCLOIULDR-HUUCEWRRSA-N 1 0 350.423 -0.245 20 5 FBBDRO Cn1ccc(C[NH2+]C2CCN(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001271911805 836405677 /nfs/dbraw/zinc/40/56/77/836405677.db2.gz MNZZKBSXYVUGRD-HUUCEWRRSA-N 1 0 350.423 -0.245 20 5 FBBDRO CCC1([NH2+]CC(=O)NC(=O)NC)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001273757049 841516376 /nfs/dbraw/zinc/51/63/76/841516376.db2.gz NWRKQOWPLABVMF-GHMZBOCLSA-N 1 0 355.395 -0.532 20 5 FBBDRO CCn1nncc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001273967866 841765447 /nfs/dbraw/zinc/76/54/47/841765447.db2.gz ANWOXBCEPNPLPA-CHWSQXEVSA-N 1 0 352.395 -0.282 20 5 FBBDRO CCn1cc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)nn1 ZINC001273969183 841766206 /nfs/dbraw/zinc/76/62/06/841766206.db2.gz OVIWBHBCNSMODV-CHWSQXEVSA-N 1 0 352.395 -0.282 20 5 FBBDRO CC1([NH2+]CCN2C(=O)CNC2=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001274332585 841835316 /nfs/dbraw/zinc/83/53/16/841835316.db2.gz HCTMZJQFQSGXLF-GHMZBOCLSA-N 1 0 353.379 -0.826 20 5 FBBDRO O=C(C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCCC1 ZINC001274514963 841853118 /nfs/dbraw/zinc/85/31/18/841853118.db2.gz ACQDBVYURNUEMU-CHWSQXEVSA-N 1 0 354.407 -0.783 20 5 FBBDRO Cc1nn(C)cc1C[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001274910454 841893089 /nfs/dbraw/zinc/89/30/89/841893089.db2.gz LKNROKONCVHVLJ-ZIAGYGMSSA-N 1 0 351.407 -0.163 20 5 FBBDRO O=C(NCC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001274910575 841893030 /nfs/dbraw/zinc/89/30/30/841893030.db2.gz OUGMKQGJBFBZCP-CHWSQXEVSA-N 1 0 354.407 -0.879 20 5 FBBDRO CN(CCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276001216 841980586 /nfs/dbraw/zinc/98/05/86/841980586.db2.gz GFPMRVVIJMFWEY-GHMZBOCLSA-N 1 0 357.411 -0.286 20 5 FBBDRO Cc1cc(NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(C)n1 ZINC001276002538 841980735 /nfs/dbraw/zinc/98/07/35/841980735.db2.gz UTUKLAPPGAQFOK-VXGBXAGGSA-N 1 0 352.395 -0.230 20 5 FBBDRO O=C(C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NCC(F)(F)F ZINC001276977649 845786427 /nfs/dbraw/zinc/78/64/27/845786427.db2.gz VSZYPFQBNKUVBQ-ZYUZMQFOSA-N 1 0 352.313 -0.186 20 5 FBBDRO CN(CC(F)(F)F)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001277055137 845805473 /nfs/dbraw/zinc/80/54/73/845805473.db2.gz NQQIVUSIJJKPFM-RKDXNWHRSA-N 1 0 352.313 -0.089 20 5 FBBDRO CN(CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC001277397244 845907341 /nfs/dbraw/zinc/90/73/41/845907341.db2.gz DVSDEBNHSSKIRT-CHWSQXEVSA-N 1 0 362.452 -0.534 20 5 FBBDRO COCC[N@H+](CC(=O)N(C)C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001277398143 845907418 /nfs/dbraw/zinc/90/74/18/845907418.db2.gz CWFYLLZBGRJDRU-ZIAGYGMSSA-N 1 0 356.423 -0.321 20 5 FBBDRO CC(=O)NCCOCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001278051701 846036812 /nfs/dbraw/zinc/03/68/12/846036812.db2.gz MNRJGPFFSSPCSB-ZIAGYGMSSA-N 1 0 356.423 -0.225 20 5 FBBDRO Cn1nccc1CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001278707358 846213698 /nfs/dbraw/zinc/21/36/98/846213698.db2.gz IOSABEOMOPFSAI-ZIAGYGMSSA-N 1 0 351.407 -0.117 20 5 FBBDRO Cc1noc(CNC2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001279431364 846902341 /nfs/dbraw/zinc/90/23/41/846902341.db2.gz LKDPNCREMNOBOR-CHWSQXEVSA-N 1 0 352.395 -0.287 20 5 FBBDRO O=C(NCCN1CCC([NH2+]CCn2cccn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001279431674 846902108 /nfs/dbraw/zinc/90/21/08/846902108.db2.gz QQIUEQBCXGCSCD-HUUCEWRRSA-N 1 0 350.423 -0.282 20 5 FBBDRO CS(=O)(=O)NCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001280362557 847011794 /nfs/dbraw/zinc/01/17/94/847011794.db2.gz BDGZBPYPJZLHEQ-FDYHWXHSSA-N 1 0 362.452 -0.535 20 5 FBBDRO CCC1([NH2+]CCNS(C)(=O)=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001281004783 847028948 /nfs/dbraw/zinc/02/89/48/847028948.db2.gz WUAZVJIKJAPUBW-VXGBXAGGSA-N 1 0 362.452 -0.438 20 5 FBBDRO O=C(NCC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1)C1CC1 ZINC001281241278 847042301 /nfs/dbraw/zinc/04/23/01/847042301.db2.gz DBDNOESVUOLSOT-CHWSQXEVSA-N 1 0 354.407 -0.567 20 5 FBBDRO COCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C12CC[NH+](CC1)C2 ZINC001281325457 847052919 /nfs/dbraw/zinc/05/29/19/847052919.db2.gz PDKSTEKCJVQIFK-CHWSQXEVSA-N 1 0 354.407 -0.661 20 5 FBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(C[NH2+]CCN2CCCC2=O)CC1 ZINC001281613211 847062047 /nfs/dbraw/zinc/06/20/47/847062047.db2.gz KMFVJJYEMHBQGK-CHWSQXEVSA-N 1 0 354.407 -0.783 20 5 FBBDRO Cc1nn(C)cc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001281613308 847061724 /nfs/dbraw/zinc/06/17/24/847061724.db2.gz MICYNPDJTPOGGH-ZIAGYGMSSA-N 1 0 351.407 -0.163 20 5 FBBDRO O=C(NC1(CO)CC[NH+](CCOCC(F)F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001281810045 847180693 /nfs/dbraw/zinc/18/06/93/847180693.db2.gz OMTGUQCRYSGHTR-GHMZBOCLSA-N 1 0 351.350 -0.124 20 5 FBBDRO COCCCNC(=O)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001283308036 847455478 /nfs/dbraw/zinc/45/54/78/847455478.db2.gz XHSOHEDDFHTAQF-ZIAGYGMSSA-N 1 0 356.423 -0.273 20 5 FBBDRO C[NH+](C)CCCC(=O)N1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001283828454 847466726 /nfs/dbraw/zinc/46/67/26/847466726.db2.gz KZBYBBBUSVUYBP-ZIAGYGMSSA-N 1 0 355.439 -0.746 20 5 FBBDRO O=C(C[NH+]1CCCC1)N1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001283828683 847466522 /nfs/dbraw/zinc/46/65/22/847466522.db2.gz UDAQKPCXIMIMCB-ZIAGYGMSSA-N 1 0 353.423 -0.992 20 5 FBBDRO C[NH+](C)CCOCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001283989713 847471015 /nfs/dbraw/zinc/47/10/15/847471015.db2.gz WGHADWCXDPQFAE-XJFOESAGSA-N 1 0 354.407 -0.568 20 5 FBBDRO C[NH+]1CCC(OCC(=O)NC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001285923119 847527072 /nfs/dbraw/zinc/52/70/72/847527072.db2.gz ARJSYEIDTUQHKY-CHWSQXEVSA-N 1 0 354.407 -0.473 20 5 FBBDRO CC[N@H+](C)C(C)(C)C(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001285936165 847528746 /nfs/dbraw/zinc/52/87/46/847528746.db2.gz CSQMUTVFCDFLSY-VXGBXAGGSA-N 1 0 356.423 -0.539 20 5 FBBDRO CN(C(=O)COCC[NH+](C)C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001287357759 847542815 /nfs/dbraw/zinc/54/28/15/847542815.db2.gz TZBGHAQNFFAMAY-ZIAGYGMSSA-N 1 0 356.423 -0.321 20 5 FBBDRO CN(CCOCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C12CC[NH+](CC1)C2 ZINC001287405537 847542922 /nfs/dbraw/zinc/54/29/22/847542922.db2.gz HRLSJGNKHIQNAG-CHWSQXEVSA-N 1 0 354.407 -0.661 20 5 FBBDRO COCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1CC[NH+](C)CC1 ZINC001288245409 847571557 /nfs/dbraw/zinc/57/15/57/847571557.db2.gz MSONMVYFVRGYRL-ZIAGYGMSSA-N 1 0 356.423 -0.415 20 5 FBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001292494585 847977438 /nfs/dbraw/zinc/97/74/38/847977438.db2.gz QQMBMNBLZJGPER-GFCCVEGCSA-N 1 0 352.395 -0.197 20 5 FBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001292494586 847977402 /nfs/dbraw/zinc/97/74/02/847977402.db2.gz QQMBMNBLZJGPER-LBPRGKRZSA-N 1 0 352.395 -0.197 20 5 FBBDRO C[NH+](C)CCCN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001294414885 848003313 /nfs/dbraw/zinc/00/33/13/848003313.db2.gz QJMJNZRIERDSKY-JTQLQIEISA-N 1 0 359.408 -0.101 20 5 FBBDRO C[NH+](C)CCCN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001294414886 848003430 /nfs/dbraw/zinc/00/34/30/848003430.db2.gz QJMJNZRIERDSKY-SNVBAGLBSA-N 1 0 359.408 -0.101 20 5 FBBDRO O=C(C[NH+]1CCCC1)NCCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001294681231 848006960 /nfs/dbraw/zinc/00/69/60/848006960.db2.gz ZPEGPSKGCOLVFV-ZIAGYGMSSA-N 1 0 353.423 -0.992 20 5 FBBDRO CC(C)[N@H+](C)CC(=O)NCCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001294684353 848006334 /nfs/dbraw/zinc/00/63/34/848006334.db2.gz UKKIXTHSEXEFCR-ZIAGYGMSSA-N 1 0 355.439 -0.748 20 5 FBBDRO CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)COC1CC[NH+](C)CC1 ZINC001296300430 848036135 /nfs/dbraw/zinc/03/61/35/848036135.db2.gz FHMNPBNVKIIFPD-ZIAGYGMSSA-N 1 0 356.423 -0.273 20 5 FBBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001302819169 848116022 /nfs/dbraw/zinc/11/60/22/848116022.db2.gz WZJHTYQCLYRWEW-INIZCTEOSA-N 1 0 350.375 -0.150 20 5 FBBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001302819171 848115962 /nfs/dbraw/zinc/11/59/62/848115962.db2.gz WZJHTYQCLYRWEW-MRXNPFEDSA-N 1 0 350.375 -0.150 20 5 FBBDRO COc1ccc(C(=O)NCC(=O)NCC[N@H+](C)CCO)cc1[N+](=O)[O-] ZINC001303625926 848134384 /nfs/dbraw/zinc/13/43/84/848134384.db2.gz NBIGDAKBDGHOIQ-UHFFFAOYSA-N 1 0 354.363 -0.627 20 5 FBBDRO CN1CCN(S(=O)(=O)c2ccc(N3CC=C(N)[NH2+]3)c([N+](=O)[O-])c2)CC1 ZINC001307206499 848171082 /nfs/dbraw/zinc/17/10/82/848171082.db2.gz PEIHEVNBFRHRHN-UHFFFAOYSA-N 1 0 368.419 -0.344 20 5 FBBDRO C[NH+]1CCN(CCCS(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC001309297545 848195435 /nfs/dbraw/zinc/19/54/35/848195435.db2.gz RGBWUFPBIFMAOL-UHFFFAOYSA-N 1 0 360.440 -0.652 20 5 FBBDRO CCn1cc(S(=O)(=O)N2CC(N3CC[NH+](CC)CC3)C2)c([N+](=O)[O-])n1 ZINC001309906042 848235568 /nfs/dbraw/zinc/23/55/68/848235568.db2.gz BUSRLGKUESLCSJ-UHFFFAOYSA-N 1 0 372.451 -0.178 20 5 FBBDRO Cc1nnc(NC(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 ZINC001317076116 848330510 /nfs/dbraw/zinc/33/05/10/848330510.db2.gz LXNNMKJPHSQFLM-ZYUZMQFOSA-N 1 0 354.392 -0.313 20 5 FBBDRO Cc1nn(C)c(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC001318304900 848368814 /nfs/dbraw/zinc/36/88/14/848368814.db2.gz RVSIZLLLUAZEAH-LLVKDONJSA-N 1 0 352.395 -0.046 20 5 FBBDRO Cc1nn(C)c(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC001318304901 848368561 /nfs/dbraw/zinc/36/85/61/848368561.db2.gz RVSIZLLLUAZEAH-NSHDSACASA-N 1 0 352.395 -0.046 20 5 FBBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001318333331 848370341 /nfs/dbraw/zinc/37/03/41/848370341.db2.gz PZEAOQRXMGNWKD-CYBMUJFWSA-N 1 0 350.379 -0.268 20 5 FBBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001318333332 848370057 /nfs/dbraw/zinc/37/00/57/848370057.db2.gz PZEAOQRXMGNWKD-ZDUSSCGKSA-N 1 0 350.379 -0.268 20 5 FBBDRO C[NH+]1CCN(C(C)(C)CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001318540369 848383892 /nfs/dbraw/zinc/38/38/92/848383892.db2.gz BDNTVMYGCKOKES-UHFFFAOYSA-N 1 0 351.407 -0.101 20 5 FBBDRO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC001318630052 848390698 /nfs/dbraw/zinc/39/06/98/848390698.db2.gz JLEQYHGQBQYGKE-GFCCVEGCSA-N 1 0 352.395 -0.237 20 5 FBBDRO Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC001318630061 848390748 /nfs/dbraw/zinc/39/07/48/848390748.db2.gz JLEQYHGQBQYGKE-LBPRGKRZSA-N 1 0 352.395 -0.237 20 5 FBBDRO O=C(C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)N1CCOCC1 ZINC001318631447 848390650 /nfs/dbraw/zinc/39/06/50/848390650.db2.gz CMTKDNODEOAJEY-CHWSQXEVSA-N 1 0 354.407 -0.471 20 5 FBBDRO CC(C)[NH+]1CCC(NC(=O)COC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001318947810 848412625 /nfs/dbraw/zinc/41/26/25/848412625.db2.gz KDLCAGDKYAMNCA-UHFFFAOYSA-N 1 0 354.367 -0.282 20 5 FBBDRO CS(=O)(=O)NCC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001319019621 848419612 /nfs/dbraw/zinc/41/96/12/848419612.db2.gz YLDDNBSIGISPNQ-CHWSQXEVSA-N 1 0 362.452 -0.581 20 5 FBBDRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC001319048130 848422244 /nfs/dbraw/zinc/42/22/44/848422244.db2.gz WVBTWGUTGVMGNM-UHFFFAOYSA-N 1 0 352.395 -0.292 20 5 FBBDRO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1)N1CCOCC1 ZINC001319351528 848449349 /nfs/dbraw/zinc/44/93/49/848449349.db2.gz KFXABKIHBUOLNY-CHWSQXEVSA-N 1 0 354.407 -0.471 20 5 FBBDRO CC[NH+]1CCN([C@H](C)CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001319376353 848452388 /nfs/dbraw/zinc/45/23/88/848452388.db2.gz WHYNWYCIEPGWHL-CYBMUJFWSA-N 1 0 351.407 -0.101 20 5 FBBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001319376355 848452758 /nfs/dbraw/zinc/45/27/58/848452758.db2.gz WHYNWYCIEPGWHL-ZDUSSCGKSA-N 1 0 351.407 -0.101 20 5 FBBDRO CN1C(=O)NC2(CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)C1=O ZINC001319552527 848469253 /nfs/dbraw/zinc/46/92/53/848469253.db2.gz NONTZRXHVVSVST-LLVKDONJSA-N 1 0 352.351 -0.832 20 5 FBBDRO CN1C(=O)NC2(CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)C1=O ZINC001319552528 848469399 /nfs/dbraw/zinc/46/93/99/848469399.db2.gz NONTZRXHVVSVST-NSHDSACASA-N 1 0 352.351 -0.832 20 5 FBBDRO CN(C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)S(C)(=O)=O ZINC001319584736 848472212 /nfs/dbraw/zinc/47/22/12/848472212.db2.gz QLZUPPVTXYBVNY-CYBMUJFWSA-N 1 0 361.424 -0.492 20 5 FBBDRO CN(C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)S(C)(=O)=O ZINC001319584737 848472098 /nfs/dbraw/zinc/47/20/98/848472098.db2.gz QLZUPPVTXYBVNY-ZDUSSCGKSA-N 1 0 361.424 -0.492 20 5 FBBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC(O)(C[NH+]2CCOCC2)CC1 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FYQYFFHDPMYLCD-UHFFFAOYSA-N 1 0 352.395 -0.150 20 5 FBBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001323903620 848973389 /nfs/dbraw/zinc/97/33/89/848973389.db2.gz AYZOYCSRTJEZBL-GFCCVEGCSA-N 1 0 352.395 -0.292 20 5 FBBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001323903622 848973366 /nfs/dbraw/zinc/97/33/66/848973366.db2.gz AYZOYCSRTJEZBL-LBPRGKRZSA-N 1 0 352.395 -0.292 20 5 FBBDRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001323905301 848973319 /nfs/dbraw/zinc/97/33/19/848973319.db2.gz MBYZCFFQTHHDNB-UHFFFAOYSA-N 1 0 354.411 -0.046 20 5 FBBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001323906651 848974191 /nfs/dbraw/zinc/97/41/91/848974191.db2.gz UPILODIUGYDDTH-GFCCVEGCSA-N 1 0 352.395 -0.104 20 5 FBBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001323906652 848974141 /nfs/dbraw/zinc/97/41/41/848974141.db2.gz UPILODIUGYDDTH-LBPRGKRZSA-N 1 0 352.395 -0.104 20 5 FBBDRO 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ZINC001325499968 849150914 /nfs/dbraw/zinc/15/09/14/849150914.db2.gz BZOFVAQENUFVJR-GWCFXTLKSA-N 1 0 350.379 -0.494 20 5 FBBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001325499969 849150472 /nfs/dbraw/zinc/15/04/72/849150472.db2.gz BZOFVAQENUFVJR-GXFFZTMASA-N 1 0 350.379 -0.494 20 5 FBBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001325499970 849150428 /nfs/dbraw/zinc/15/04/28/849150428.db2.gz BZOFVAQENUFVJR-MFKMUULPSA-N 1 0 350.379 -0.494 20 5 FBBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001325499971 849150487 /nfs/dbraw/zinc/15/04/87/849150487.db2.gz BZOFVAQENUFVJR-ZWNOBZJWSA-N 1 0 350.379 -0.494 20 5 FBBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001325528408 849153189 /nfs/dbraw/zinc/15/31/89/849153189.db2.gz AYBLIZGOQZIDIZ-NEPJUHHUSA-N 1 0 352.395 -0.104 20 5 FBBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001325528409 849153235 /nfs/dbraw/zinc/15/32/35/849153235.db2.gz AYBLIZGOQZIDIZ-NWDGAFQWSA-N 1 0 352.395 -0.104 20 5 FBBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001325528410 849153042 /nfs/dbraw/zinc/15/30/42/849153042.db2.gz AYBLIZGOQZIDIZ-RYUDHWBXSA-N 1 0 352.395 -0.104 20 5 FBBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001325528411 849153454 /nfs/dbraw/zinc/15/34/54/849153454.db2.gz AYBLIZGOQZIDIZ-VXGBXAGGSA-N 1 0 352.395 -0.104 20 5 FBBDRO O=C(NCCN1CC[NH2+]CC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001325714506 849172531 /nfs/dbraw/zinc/17/25/31/849172531.db2.gz ZZSTZRLLNZZOPU-UHFFFAOYSA-N 1 0 369.809 -0.114 20 5 FBBDRO CC(=O)NCCOCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001325736870 849175333 /nfs/dbraw/zinc/17/53/33/849175333.db2.gz RYGKCYPGKOYSHS-LXTVHRRPSA-N 1 0 354.407 -0.806 20 5 FBBDRO Cn1cc([C@@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC001325789728 849181537 /nfs/dbraw/zinc/18/15/37/849181537.db2.gz BENICKOOQKEHEI-WDEREUQCSA-N 1 0 352.376 -0.161 20 5 FBBDRO O=C(C[NH2+]C1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CC1 ZINC001325795672 849182571 /nfs/dbraw/zinc/18/25/71/849182571.db2.gz XJKNWOUIRFLABW-ZIAGYGMSSA-N 1 0 353.423 -0.900 20 5 FBBDRO COCc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC001325878358 849190289 /nfs/dbraw/zinc/19/02/89/849190289.db2.gz IVQHXNLOJPTTNR-CMPLNLGQSA-N 1 0 351.367 -0.505 20 5 FBBDRO COCc1nc2n(n1)C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC001325878360 849190434 /nfs/dbraw/zinc/19/04/34/849190434.db2.gz IVQHXNLOJPTTNR-JQWIXIFHSA-N 1 0 351.367 -0.505 20 5 FBBDRO COCc1nc2n(n1)C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC001325878361 849189967 /nfs/dbraw/zinc/18/99/67/849189967.db2.gz IVQHXNLOJPTTNR-PWSUYJOCSA-N 1 0 351.367 -0.505 20 5 FBBDRO COCc1nc2n(n1)C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC001325878370 849190084 /nfs/dbraw/zinc/19/00/84/849190084.db2.gz IVQHXNLOJPTTNR-ZYHUDNBSSA-N 1 0 351.367 -0.505 20 5 FBBDRO COC(=O)CC1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCS(=O)(=O)CC1 ZINC001326083248 849215108 /nfs/dbraw/zinc/21/51/08/849215108.db2.gz YRKGIEWBURPGFH-UHFFFAOYSA-N 1 0 360.392 -0.109 20 5 FBBDRO CS(=O)(=O)N1CCC(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001326147254 849224158 /nfs/dbraw/zinc/22/41/58/849224158.db2.gz RFWGOQBVYCOHIZ-CYBMUJFWSA-N 1 0 361.424 -0.587 20 5 FBBDRO CS(=O)(=O)N1CCC(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001326147255 849223965 /nfs/dbraw/zinc/22/39/65/849223965.db2.gz RFWGOQBVYCOHIZ-ZDUSSCGKSA-N 1 0 361.424 -0.587 20 5 FBBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CCO1 ZINC001326148386 849224163 /nfs/dbraw/zinc/22/41/63/849224163.db2.gz VTYMFHZARZLRMP-BXUZGUMPSA-N 1 0 350.375 -0.172 20 5 FBBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CCO1 ZINC001326148388 849223700 /nfs/dbraw/zinc/22/37/00/849223700.db2.gz VTYMFHZARZLRMP-FZMZJTMJSA-N 1 0 350.375 -0.172 20 5 FBBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CCO1 ZINC001326148390 849223957 /nfs/dbraw/zinc/22/39/57/849223957.db2.gz VTYMFHZARZLRMP-RISCZKNCSA-N 1 0 350.375 -0.172 20 5 FBBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CCO1 ZINC001326148392 849223672 /nfs/dbraw/zinc/22/36/72/849223672.db2.gz VTYMFHZARZLRMP-SMDDNHRTSA-N 1 0 350.375 -0.172 20 5 FBBDRO O=C1CCCN1C[C@@H](O)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001326232735 849234317 /nfs/dbraw/zinc/23/43/17/849234317.db2.gz RRIVDYDLAAOODV-KBPBESRZSA-N 1 0 353.375 -0.093 20 5 FBBDRO O=C1CCCN1C[C@H](O)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001326232736 849234276 /nfs/dbraw/zinc/23/42/76/849234276.db2.gz RRIVDYDLAAOODV-KGLIPLIRSA-N 1 0 353.375 -0.093 20 5 FBBDRO O=C1CCCN1C[C@@H](O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001326232737 849234558 /nfs/dbraw/zinc/23/45/58/849234558.db2.gz RRIVDYDLAAOODV-UONOGXRCSA-N 1 0 353.375 -0.093 20 5 FBBDRO O=C1CCCN1C[C@H](O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001326232738 849234613 /nfs/dbraw/zinc/23/46/13/849234613.db2.gz RRIVDYDLAAOODV-ZIAGYGMSSA-N 1 0 353.375 -0.093 20 5 FBBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)n1 ZINC001326364656 849251540 /nfs/dbraw/zinc/25/15/40/849251540.db2.gz RZXZGFQRLLRGQQ-LLVKDONJSA-N 1 0 350.379 -0.247 20 5 FBBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)n1 ZINC001326364658 849251247 /nfs/dbraw/zinc/25/12/47/849251247.db2.gz RZXZGFQRLLRGQQ-NSHDSACASA-N 1 0 350.379 -0.247 20 5 FBBDRO CN1CC[NH+](CCCCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001326566138 849284527 /nfs/dbraw/zinc/28/45/27/849284527.db2.gz BUYUHROVYXBKOE-UHFFFAOYSA-N 1 0 351.407 -0.100 20 5 FBBDRO CS(=O)(=O)NCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001326585394 849288120 /nfs/dbraw/zinc/28/81/20/849288120.db2.gz FUKBQJSZCFVIPJ-VXGBXAGGSA-N 1 0 360.436 -0.875 20 5 FBBDRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001326660691 849302221 /nfs/dbraw/zinc/30/22/21/849302221.db2.gz SXEQAESECUHLNM-UHFFFAOYSA-N 1 0 352.395 -0.148 20 5 FBBDRO O=C(NCC1([NH2+]CCN2CCCS2(=O)=O)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001326821646 849328690 /nfs/dbraw/zinc/32/86/90/849328690.db2.gz HAVOZDIVBSVTFA-VXGBXAGGSA-N 1 0 360.436 -0.684 20 5 FBBDRO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)Nc1nncs1 ZINC001326823149 849328483 /nfs/dbraw/zinc/32/84/83/849328483.db2.gz RZQRXDMBKGFOMT-RKDXNWHRSA-N 1 0 354.392 -0.230 20 5 FBBDRO CCn1cc(S(=O)(=O)N2CC[C@@H](N3CCC([NH3+])CC3)C2)c([N+](=O)[O-])n1 ZINC001326984091 849353138 /nfs/dbraw/zinc/35/31/38/849353138.db2.gz IIUUWOWUBYCWOZ-GFCCVEGCSA-N 1 0 372.451 -0.003 20 5 FBBDRO CCn1cc(S(=O)(=O)N2CC[C@H](N3CCC([NH3+])CC3)C2)c([N+](=O)[O-])n1 ZINC001326984092 849353218 /nfs/dbraw/zinc/35/32/18/849353218.db2.gz IIUUWOWUBYCWOZ-LBPRGKRZSA-N 1 0 372.451 -0.003 20 5 FBBDRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC001327274291 849394830 /nfs/dbraw/zinc/39/48/30/849394830.db2.gz GVJHIFGQPIJQJT-GHMZBOCLSA-N 1 0 350.379 -0.351 20 5 FBBDRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC001327274292 849394965 /nfs/dbraw/zinc/39/49/65/849394965.db2.gz GVJHIFGQPIJQJT-MNOVXSKESA-N 1 0 350.379 -0.351 20 5 FBBDRO C[C@H]1C[C@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC001327274293 849394940 /nfs/dbraw/zinc/39/49/40/849394940.db2.gz GVJHIFGQPIJQJT-QWRGUYRKSA-N 1 0 350.379 -0.351 20 5 FBBDRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC001327274294 849394802 /nfs/dbraw/zinc/39/48/02/849394802.db2.gz GVJHIFGQPIJQJT-WDEREUQCSA-N 1 0 350.379 -0.351 20 5 FBBDRO Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C[C@H]2[NH3+])cn1 ZINC001327287397 849396718 /nfs/dbraw/zinc/39/67/18/849396718.db2.gz PMAISLUNICVVBM-NWDGAFQWSA-N 1 0 352.376 -0.161 20 5 FBBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C2 ZINC001327393852 849416846 /nfs/dbraw/zinc/41/68/46/849416846.db2.gz YAHYVLFYXDLRIZ-NHYWBVRUSA-N 1 0 350.379 -0.505 20 5 FBBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001327501953 849437317 /nfs/dbraw/zinc/43/73/17/849437317.db2.gz AFPPCCDAKCJYCH-GFCCVEGCSA-N 1 0 352.395 -0.102 20 5 FBBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001327501954 849437270 /nfs/dbraw/zinc/43/72/70/849437270.db2.gz AFPPCCDAKCJYCH-LBPRGKRZSA-N 1 0 352.395 -0.102 20 5 FBBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CCO1 ZINC001327518606 849439717 /nfs/dbraw/zinc/43/97/17/849439717.db2.gz WFCRKROZJGULLP-BXUZGUMPSA-N 1 0 350.375 -0.172 20 5 FBBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CCO1 ZINC001327518607 849439537 /nfs/dbraw/zinc/43/95/37/849439537.db2.gz WFCRKROZJGULLP-FZMZJTMJSA-N 1 0 350.375 -0.172 20 5 FBBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CCO1 ZINC001327518608 849439692 /nfs/dbraw/zinc/43/96/92/849439692.db2.gz WFCRKROZJGULLP-RISCZKNCSA-N 1 0 350.375 -0.172 20 5 FBBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CCO1 ZINC001327518610 849439728 /nfs/dbraw/zinc/43/97/28/849439728.db2.gz WFCRKROZJGULLP-SMDDNHRTSA-N 1 0 350.375 -0.172 20 5 FBBDRO O=C(C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1)NCC1CC1 ZINC001327635731 849456500 /nfs/dbraw/zinc/45/65/00/849456500.db2.gz WAMBJWZCFFUGFZ-CHWSQXEVSA-N 1 0 354.407 -0.567 20 5 FBBDRO C[NH2+]CCCC(=O)N1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC001327931848 849504874 /nfs/dbraw/zinc/50/48/74/849504874.db2.gz DYRVDJKQBYEKNW-UHFFFAOYSA-N 1 0 352.395 -0.102 20 5 FBBDRO CS(=O)(=O)c1cc(C(=O)N2CCOC3(C[NH2+]C3)C2)cc([N+](=O)[O-])c1 ZINC001327967292 849509169 /nfs/dbraw/zinc/50/91/69/849509169.db2.gz IWOCMGXSWXHKEV-UHFFFAOYSA-N 1 0 355.372 -0.187 20 5 FBBDRO CCS(=O)(=O)N1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001327975571 849509728 /nfs/dbraw/zinc/50/97/28/849509728.db2.gz MCEIGQINTXDPJB-CYBMUJFWSA-N 1 0 361.424 -0.444 20 5 FBBDRO CCS(=O)(=O)N1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001327975572 849509882 /nfs/dbraw/zinc/50/98/82/849509882.db2.gz MCEIGQINTXDPJB-ZDUSSCGKSA-N 1 0 361.424 -0.444 20 5 FBBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001328148276 849532956 /nfs/dbraw/zinc/53/29/56/849532956.db2.gz MMYJNALWZQSWEO-LLVKDONJSA-N 1 0 352.395 -0.104 20 5 FBBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001328148278 849532871 /nfs/dbraw/zinc/53/28/71/849532871.db2.gz MMYJNALWZQSWEO-NSHDSACASA-N 1 0 352.395 -0.104 20 5 FBBDRO CC(C)(C)NC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001328166368 849535374 /nfs/dbraw/zinc/53/53/74/849535374.db2.gz KNKIOUDDGYXLRA-VXGBXAGGSA-N 1 0 356.423 -0.491 20 5 FBBDRO O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O)N1CC[NH2+]CC1 ZINC001328191073 849539717 /nfs/dbraw/zinc/53/97/17/849539717.db2.gz YPABDHYFTTUCME-UHFFFAOYSA-N 1 0 354.344 -0.829 20 5 FBBDRO C[NH+](C)CCONC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001328309529 849558837 /nfs/dbraw/zinc/55/88/37/849558837.db2.gz NVDACGNAGXAQSY-UHFFFAOYSA-N 1 0 360.392 -0.127 20 5 FBBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001328481365 849588282 /nfs/dbraw/zinc/58/82/82/849588282.db2.gz UMKUBYBAWAIQHZ-UHFFFAOYSA-N 1 0 353.379 -0.765 20 5 FBBDRO Cn1cc(CC[NH+]2CCC(CO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001328528729 849594138 /nfs/dbraw/zinc/59/41/38/849594138.db2.gz CJOATNMPPBMGHT-ZIAGYGMSSA-N 1 0 351.407 -0.429 20 5 FBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001328617706 849606627 /nfs/dbraw/zinc/60/66/27/849606627.db2.gz PGJXHWLDKOZLQI-GFCCVEGCSA-N 1 0 350.379 -0.492 20 5 FBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001328617707 849606670 /nfs/dbraw/zinc/60/66/70/849606670.db2.gz PGJXHWLDKOZLQI-LBPRGKRZSA-N 1 0 350.379 -0.492 20 5 FBBDRO CN1CC[NH+](CC2CN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])C2)CC1 ZINC001328799481 849634180 /nfs/dbraw/zinc/63/41/80/849634180.db2.gz NOEXFOQINVJWET-UHFFFAOYSA-N 1 0 369.447 -0.074 20 5 FBBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N(C)CCOCC[NH3+] ZINC001328975850 849669239 /nfs/dbraw/zinc/66/92/39/849669239.db2.gz UTDOGPVLSUYUGL-UHFFFAOYSA-N 1 0 354.363 -0.347 20 5 FBBDRO CCN(C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](CC)C1 ZINC001329035805 849677305 /nfs/dbraw/zinc/67/73/05/849677305.db2.gz QOLZRKXJSOQPET-GFCCVEGCSA-N 1 0 352.395 -0.150 20 5 FBBDRO CCN(C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](CC)C1 ZINC001329035807 849677290 /nfs/dbraw/zinc/67/72/90/849677290.db2.gz QOLZRKXJSOQPET-LBPRGKRZSA-N 1 0 352.395 -0.150 20 5 FBBDRO COc1ccc(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC001329058960 849680854 /nfs/dbraw/zinc/68/08/54/849680854.db2.gz DZZLBJWGNMYGFF-LLVKDONJSA-N 1 0 352.347 -0.676 20 5 FBBDRO COc1ccc(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC001329058961 849680833 /nfs/dbraw/zinc/68/08/33/849680833.db2.gz DZZLBJWGNMYGFF-NSHDSACASA-N 1 0 352.347 -0.676 20 5 FBBDRO COCCC(=O)N1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001329141203 849693190 /nfs/dbraw/zinc/69/31/90/849693190.db2.gz JAUPEGKEHICNQC-AWEZNQCLSA-N 1 0 355.395 -0.231 20 5 FBBDRO COCCC(=O)N1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001329141204 849693226 /nfs/dbraw/zinc/69/32/26/849693226.db2.gz JAUPEGKEHICNQC-CQSZACIVSA-N 1 0 355.395 -0.231 20 5 FBBDRO [NH3+]C1(CNC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001329437990 849741131 /nfs/dbraw/zinc/74/11/31/849741131.db2.gz PMZVDRLMLVEBPB-UHFFFAOYSA-N 1 0 350.375 -0.122 20 5 FBBDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001329710156 849799619 /nfs/dbraw/zinc/79/96/19/849799619.db2.gz KSXRYOJDXXFOIJ-GFCCVEGCSA-N 1 0 352.395 -0.244 20 5 FBBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001329710157 849799960 /nfs/dbraw/zinc/79/99/60/849799960.db2.gz KSXRYOJDXXFOIJ-LBPRGKRZSA-N 1 0 352.395 -0.244 20 5 FBBDRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001329787053 849820174 /nfs/dbraw/zinc/82/01/74/849820174.db2.gz ZQBDLRBBQDWGBV-UHFFFAOYSA-N 1 0 360.440 -0.414 20 5 FBBDRO COc1ccc(CNC(=O)C(=O)N(C)CCOCC[NH3+])cc1[N+](=O)[O-] ZINC001330018043 849873718 /nfs/dbraw/zinc/87/37/18/849873718.db2.gz BKWGMDMOWYKAAX-UHFFFAOYSA-N 1 0 354.363 -0.347 20 5 FBBDRO O=C1[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C1CCOCC1 ZINC001330053537 849878787 /nfs/dbraw/zinc/87/87/87/849878787.db2.gz CMVOFOZWESQUKC-KBPBESRZSA-N 1 0 353.379 -0.478 20 5 FBBDRO O=C1[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C1CCOCC1 ZINC001330053538 849878632 /nfs/dbraw/zinc/87/86/32/849878632.db2.gz CMVOFOZWESQUKC-KGLIPLIRSA-N 1 0 353.379 -0.478 20 5 FBBDRO O=C1[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C1CCOCC1 ZINC001330053539 849878967 /nfs/dbraw/zinc/87/89/67/849878967.db2.gz CMVOFOZWESQUKC-UONOGXRCSA-N 1 0 353.379 -0.478 20 5 FBBDRO O=C1[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1C1CCOCC1 ZINC001330053540 849879131 /nfs/dbraw/zinc/87/91/31/849879131.db2.gz CMVOFOZWESQUKC-ZIAGYGMSSA-N 1 0 353.379 -0.478 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC001330332959 849923176 /nfs/dbraw/zinc/92/31/76/849923176.db2.gz AINHXLFGNUDQKA-GXTWGEPZSA-N 1 0 351.367 -0.427 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC001330332961 849923204 /nfs/dbraw/zinc/92/32/04/849923204.db2.gz AINHXLFGNUDQKA-JSGCOSHPSA-N 1 0 351.367 -0.427 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC001330332963 849923378 /nfs/dbraw/zinc/92/33/78/849923378.db2.gz AINHXLFGNUDQKA-OCCSQVGLSA-N 1 0 351.367 -0.427 20 5 FBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC001330332964 849923923 /nfs/dbraw/zinc/92/39/23/849923923.db2.gz AINHXLFGNUDQKA-TZMCWYRMSA-N 1 0 351.367 -0.427 20 5 FBBDRO CS(=O)(=O)NCCN1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001330486240 849954398 /nfs/dbraw/zinc/95/43/98/849954398.db2.gz NVOMHJVEHUNGNO-VXGBXAGGSA-N 1 0 360.436 -0.875 20 5 FBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001331279862 850061649 /nfs/dbraw/zinc/06/16/49/850061649.db2.gz PTBXDHHOBPDYLV-AWEZNQCLSA-N 1 0 350.375 -0.186 20 5 FBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001331279866 850061056 /nfs/dbraw/zinc/06/10/56/850061056.db2.gz PTBXDHHOBPDYLV-CQSZACIVSA-N 1 0 350.375 -0.186 20 5 FBBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001331474152 850079792 /nfs/dbraw/zinc/07/97/92/850079792.db2.gz ISDIJPXVWJNYHL-BXUZGUMPSA-N 1 0 350.375 -0.172 20 5 FBBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001331474154 850079772 /nfs/dbraw/zinc/07/97/72/850079772.db2.gz ISDIJPXVWJNYHL-FZMZJTMJSA-N 1 0 350.375 -0.172 20 5 FBBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001331474158 850079843 /nfs/dbraw/zinc/07/98/43/850079843.db2.gz ISDIJPXVWJNYHL-RISCZKNCSA-N 1 0 350.375 -0.172 20 5 FBBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC001331474161 850080099 /nfs/dbraw/zinc/08/00/99/850080099.db2.gz ISDIJPXVWJNYHL-SMDDNHRTSA-N 1 0 350.375 -0.172 20 5 FBBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001331619515 850097513 /nfs/dbraw/zinc/09/75/13/850097513.db2.gz CXPSYPULVFVVRO-CYBMUJFWSA-N 1 0 350.375 -0.300 20 5 FBBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001331619518 850097932 /nfs/dbraw/zinc/09/79/32/850097932.db2.gz CXPSYPULVFVVRO-ZDUSSCGKSA-N 1 0 350.375 -0.300 20 5 FBBDRO [NH3+]C1(CNC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001331730762 850117634 /nfs/dbraw/zinc/11/76/34/850117634.db2.gz HDKZXSKTPUYNBL-UHFFFAOYSA-N 1 0 350.375 -0.122 20 5 FBBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C2 ZINC001331740564 850119344 /nfs/dbraw/zinc/11/93/44/850119344.db2.gz YNPRNRGCCAAGQV-GASCZTMLSA-N 1 0 350.379 -0.635 20 5 FBBDRO O=C1CCCN1C[C@H](O)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001332355354 850208342 /nfs/dbraw/zinc/20/83/42/850208342.db2.gz APJGOVALEQDDAR-CHWSQXEVSA-N 1 0 353.375 -0.093 20 5 FBBDRO O=C1CCCN1C[C@H](O)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001332355356 850208134 /nfs/dbraw/zinc/20/81/34/850208134.db2.gz APJGOVALEQDDAR-OLZOCXBDSA-N 1 0 353.375 -0.093 20 5 FBBDRO O=C1CCCN1C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001332355358 850207727 /nfs/dbraw/zinc/20/77/27/850207727.db2.gz APJGOVALEQDDAR-QWHCGFSZSA-N 1 0 353.375 -0.093 20 5 FBBDRO O=C1CCCN1C[C@@H](O)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001332355360 850208150 /nfs/dbraw/zinc/20/81/50/850208150.db2.gz APJGOVALEQDDAR-STQMWFEESA-N 1 0 353.375 -0.093 20 5 FBBDRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC001333490229 850379069 /nfs/dbraw/zinc/37/90/69/850379069.db2.gz VZHYZZWTXAUOSD-UHFFFAOYSA-N 1 0 355.420 -0.142 20 5 FBBDRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC001333534190 850384618 /nfs/dbraw/zinc/38/46/18/850384618.db2.gz ZHOSBSOELNCVDK-CHWSQXEVSA-N 1 0 354.338 -0.013 20 5 FBBDRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])C2)CC1 ZINC001334309561 850472299 /nfs/dbraw/zinc/47/22/99/850472299.db2.gz PYMOBFPZDZYOGB-UHFFFAOYSA-N 1 0 355.420 -0.142 20 5 FBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC001336699226 850779673 /nfs/dbraw/zinc/77/96/73/850779673.db2.gz OYWLJNBSBDJNNW-UHFFFAOYSA-N 1 0 352.395 -0.142 20 5 FBBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC001338287820 850870503 /nfs/dbraw/zinc/87/05/03/850870503.db2.gz BQHMNIHNSMNCMQ-GFCCVEGCSA-N 1 0 350.379 -0.268 20 5 FBBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC001338287821 850870435 /nfs/dbraw/zinc/87/04/35/850870435.db2.gz BQHMNIHNSMNCMQ-LBPRGKRZSA-N 1 0 350.379 -0.268 20 5 FBBDRO CN1CC[NH+](CC2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)CC1 ZINC001338839784 850907830 /nfs/dbraw/zinc/90/78/30/850907830.db2.gz HBGKCDNCSQKZFZ-UHFFFAOYSA-N 1 0 351.411 -0.328 20 5 FBBDRO COCCN(CCNC(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001338999878 850915331 /nfs/dbraw/zinc/91/53/31/850915331.db2.gz MHRCYHLOKHUGGQ-CHWSQXEVSA-N 1 0 354.407 -0.661 20 5 FBBDRO C[NH+](C)[C@]1(CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CCSC1 ZINC001340545917 850992874 /nfs/dbraw/zinc/99/28/74/850992874.db2.gz WDWLDIRGTSWMQU-AWEZNQCLSA-N 1 0 370.435 -0.539 20 5 FBBDRO C[NH+](C)[C@@]1(CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CCSC1 ZINC001340545918 850992987 /nfs/dbraw/zinc/99/29/87/850992987.db2.gz WDWLDIRGTSWMQU-CQSZACIVSA-N 1 0 370.435 -0.539 20 5 FBBDRO C[C@H](CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC001340710328 851002969 /nfs/dbraw/zinc/00/29/69/851002969.db2.gz PCIPMLZEWATYNG-GFCCVEGCSA-N 1 0 352.395 -0.244 20 5 FBBDRO C[C@@H](CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC001340710330 851002887 /nfs/dbraw/zinc/00/28/87/851002887.db2.gz PCIPMLZEWATYNG-LBPRGKRZSA-N 1 0 352.395 -0.244 20 5 FBBDRO C[NH+]1CCC(CCNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC001341059837 851034062 /nfs/dbraw/zinc/03/40/62/851034062.db2.gz PMMZVHIEPRYVLV-UHFFFAOYSA-N 1 0 352.395 -0.244 20 5 FBBDRO COCCn1c(C[N+](=O)[O-])nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001343166038 851318836 /nfs/dbraw/zinc/31/88/36/851318836.db2.gz NQLXQFCISBRBDR-CYBMUJFWSA-N 1 0 354.411 -0.140 20 5 FBBDRO COCCn1c(C[N+](=O)[O-])nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001343166039 851318796 /nfs/dbraw/zinc/31/87/96/851318796.db2.gz NQLXQFCISBRBDR-ZDUSSCGKSA-N 1 0 354.411 -0.140 20 5 FBBDRO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC001343183909 851322294 /nfs/dbraw/zinc/32/22/94/851322294.db2.gz JWXCQIZBPXSUAH-UHFFFAOYSA-N 1 0 352.395 -0.104 20 5 FBBDRO C[C@H](c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C)[N+](=O)[O-] ZINC001344978609 851544931 /nfs/dbraw/zinc/54/49/31/851544931.db2.gz CVDMSRFOMMZNFC-GFCCVEGCSA-N 1 0 351.411 -0.103 20 5 FBBDRO C[C@@H](c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C)[N+](=O)[O-] ZINC001344978610 851545032 /nfs/dbraw/zinc/54/50/32/851545032.db2.gz CVDMSRFOMMZNFC-LBPRGKRZSA-N 1 0 351.411 -0.103 20 5 FBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001345105534 851557427 /nfs/dbraw/zinc/55/74/27/851557427.db2.gz SWITVPPEHZCDTP-NEPJUHHUSA-N 1 0 350.379 -0.350 20 5 FBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001345105539 851557308 /nfs/dbraw/zinc/55/73/08/851557308.db2.gz SWITVPPEHZCDTP-NWDGAFQWSA-N 1 0 350.379 -0.350 20 5 FBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001345105540 851557544 /nfs/dbraw/zinc/55/75/44/851557544.db2.gz SWITVPPEHZCDTP-RYUDHWBXSA-N 1 0 350.379 -0.350 20 5 FBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001345105541 851557685 /nfs/dbraw/zinc/55/76/85/851557685.db2.gz SWITVPPEHZCDTP-VXGBXAGGSA-N 1 0 350.379 -0.350 20 5 FBBDRO C[NH+](C)CCC(=O)N1CCC(N(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001345733294 851622000 /nfs/dbraw/zinc/62/20/00/851622000.db2.gz OFAOUYWODBGYNA-ZIAGYGMSSA-N 1 0 356.423 -0.585 20 5 FBBDRO CN1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+]CC[N+](=O)[O-])CC3)CC1 ZINC001346326770 851684574 /nfs/dbraw/zinc/68/45/74/851684574.db2.gz SKEUNSZCCBUHEK-CYBMUJFWSA-N 1 0 350.423 -0.301 20 5 FBBDRO CN1CCN(C(=O)c2cnn3c2C[C@@H](C[NH2+]CC[N+](=O)[O-])CC3)CC1 ZINC001346326771 851684395 /nfs/dbraw/zinc/68/43/95/851684395.db2.gz SKEUNSZCCBUHEK-ZDUSSCGKSA-N 1 0 350.423 -0.301 20 5 FBBDRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001347104961 851758141 /nfs/dbraw/zinc/75/81/41/851758141.db2.gz LXDORJMQVVLAHG-UHFFFAOYSA-N 1 0 352.395 -0.148 20 5 FBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001347105427 851757823 /nfs/dbraw/zinc/75/78/23/851757823.db2.gz PGPKUTIAAZPSKK-GFCCVEGCSA-N 1 0 350.379 -0.396 20 5 FBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001347105428 851757861 /nfs/dbraw/zinc/75/78/61/851757861.db2.gz PGPKUTIAAZPSKK-LBPRGKRZSA-N 1 0 350.379 -0.396 20 5 FBBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001350831899 852015650 /nfs/dbraw/zinc/01/56/50/852015650.db2.gz LOBCBZQSVJCUHC-LLVKDONJSA-N 1 0 352.395 -0.104 20 5 FBBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001350831900 852015062 /nfs/dbraw/zinc/01/50/62/852015062.db2.gz LOBCBZQSVJCUHC-NSHDSACASA-N 1 0 352.395 -0.104 20 5 FBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](N3CCC([NH3+])CC3)C2)n1 ZINC001351351075 852045442 /nfs/dbraw/zinc/04/54/42/852045442.db2.gz HQSUTTLECPMGMA-LLVKDONJSA-N 1 0 358.424 -0.486 20 5 FBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](N3CCC([NH3+])CC3)C2)n1 ZINC001351351082 852045175 /nfs/dbraw/zinc/04/51/75/852045175.db2.gz HQSUTTLECPMGMA-NSHDSACASA-N 1 0 358.424 -0.486 20 5 FBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)n1 ZINC001351352643 852045268 /nfs/dbraw/zinc/04/52/68/852045268.db2.gz PDLMFWSTGZMUND-PWSUYJOCSA-N 1 0 359.408 -0.155 20 5 FBBDRO O=C(NCCCN1CCN(C(=O)c2cnco2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001352660587 852126979 /nfs/dbraw/zinc/12/69/79/852126979.db2.gz YEEBGOKQIFUWAU-VXGBXAGGSA-N 1 0 351.363 -0.396 20 5 FBBDRO CC[NH+](CC)CC(=O)N1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001352701115 852130457 /nfs/dbraw/zinc/13/04/57/852130457.db2.gz AJUKHGVIHLYDDV-ZIAGYGMSSA-N 1 0 355.439 -0.746 20 5 FBBDRO C[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001353056283 852163806 /nfs/dbraw/zinc/16/38/06/852163806.db2.gz WFHWMTRFVOGPOE-NSHDSACASA-N 1 0 350.379 -0.508 20 5 FBBDRO C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001353608281 852193042 /nfs/dbraw/zinc/19/30/42/852193042.db2.gz XGAFIKHAFTXCDQ-HBJVGIJOSA-N 1 0 354.407 -0.474 20 5 FBBDRO CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001355591323 852266219 /nfs/dbraw/zinc/26/62/19/852266219.db2.gz ADSWWMCHVMWRBV-DGCLKSJQSA-N 1 0 352.395 -0.702 20 5 FBBDRO CS(=O)(=O)NCCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001356533078 852313065 /nfs/dbraw/zinc/31/30/65/852313065.db2.gz CRNMXAFRLKPOBL-UHFFFAOYSA-N 1 0 365.433 -0.103 20 5 FBBDRO NC(=O)CN1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001356533822 852313179 /nfs/dbraw/zinc/31/31/79/852313179.db2.gz UZJAUJSHFQLQKR-AWEZNQCLSA-N 1 0 352.391 -0.126 20 5 FBBDRO NC(=O)CN1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001356533823 852313124 /nfs/dbraw/zinc/31/31/24/852313124.db2.gz UZJAUJSHFQLQKR-CQSZACIVSA-N 1 0 352.391 -0.126 20 5 FBBDRO CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)COC1CC[NH+](C)CC1 ZINC001357215530 852329677 /nfs/dbraw/zinc/32/96/77/852329677.db2.gz AVPRVJZAHAVCQD-ZIAGYGMSSA-N 1 0 356.423 -0.321 20 5 FBBDRO