smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)C[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000025579331 483825086 /nfs/dbraw/zinc/82/50/86/483825086.db2.gz KGQCXDJSGMCLCV-UHFFFAOYSA-N 1 1 371.419 -0.136 20 5 FBBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)cn1 ZINC000027210362 484390815 /nfs/dbraw/zinc/39/08/15/484390815.db2.gz ATHOYSCPPVVQKP-OAHLLOKOSA-N 1 1 351.407 -0.195 20 5 FBBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)cn1 ZINC000027210365 483495039 /nfs/dbraw/zinc/49/50/39/483495039.db2.gz ATHOYSCPPVVQKP-HNNXBMFYSA-N 1 1 351.407 -0.195 20 5 FBBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000029223376 484287961 /nfs/dbraw/zinc/28/79/61/484287961.db2.gz CFQQIUAZEGOYFN-UHFFFAOYSA-N 1 1 352.395 -0.102 20 5 FBBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000032334283 485007990 /nfs/dbraw/zinc/00/79/90/485007990.db2.gz BBTRWHQPWOFTFF-UHFFFAOYSA-N 1 1 374.405 -0.090 20 5 FBBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000043286218 484408957 /nfs/dbraw/zinc/40/89/57/484408957.db2.gz KMQVRKHGIPMRGQ-UHFFFAOYSA-N 1 1 374.405 -0.090 20 5 FBBDMO CNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000046485392 484418111 /nfs/dbraw/zinc/41/81/11/484418111.db2.gz HUPYBFQWCQNHRC-UHFFFAOYSA-N 1 1 371.419 -0.136 20 5 FBBDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000046970533 484420088 /nfs/dbraw/zinc/42/00/88/484420088.db2.gz JOUZFRLUPJGLFP-UHFFFAOYSA-N 1 1 364.406 -0.196 20 5 FBBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000049725999 483883858 /nfs/dbraw/zinc/88/38/58/483883858.db2.gz GKTKPQRSJIDAIF-ZDUSSCGKSA-N 1 1 350.379 -0.444 20 5 FBBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000049726001 483883850 /nfs/dbraw/zinc/88/38/50/483883850.db2.gz GKTKPQRSJIDAIF-CYBMUJFWSA-N 1 1 350.379 -0.444 20 5 FBBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000052823678 483882953 /nfs/dbraw/zinc/88/29/53/483882953.db2.gz ZDWRUFOWWBDXKK-UHFFFAOYSA-N 1 1 352.395 -0.102 20 5 FBBDMO CC[NH+]1CCN(C(=O)CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000052930896 484278970 /nfs/dbraw/zinc/27/89/70/484278970.db2.gz OURAQBVZIDRJAO-UHFFFAOYSA-N 1 1 371.419 -0.182 20 5 FBBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000056809676 484423445 /nfs/dbraw/zinc/42/34/45/484423445.db2.gz ZBULCRNHWZBTNA-UHFFFAOYSA-N 1 1 364.406 -0.006 20 5 FBBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000063593293 484437078 /nfs/dbraw/zinc/43/70/78/484437078.db2.gz ADCRTJDXOCYTNY-AWEZNQCLSA-N 1 1 364.406 -0.054 20 5 FBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000065732675 484443831 /nfs/dbraw/zinc/44/38/31/484443831.db2.gz GBSDUJVWWOBRDE-CYBMUJFWSA-N 1 1 364.406 -0.135 20 5 FBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000067829712 484454596 /nfs/dbraw/zinc/45/45/96/484454596.db2.gz GBSDUJVWWOBRDE-ZDUSSCGKSA-N 1 1 364.406 -0.135 20 5 FBBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000068994037 484465434 /nfs/dbraw/zinc/46/54/34/484465434.db2.gz ADCRTJDXOCYTNY-CQSZACIVSA-N 1 1 364.406 -0.054 20 5 FBBDMO Cc1noc(CN2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000075751039 483877573 /nfs/dbraw/zinc/87/75/73/483877573.db2.gz HENBKOPLPKAYPN-ZDUSSCGKSA-N 1 1 351.367 -0.339 20 5 FBBDMO Cc1noc(CN2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000075751041 483878011 /nfs/dbraw/zinc/87/80/11/483878011.db2.gz HENBKOPLPKAYPN-CYBMUJFWSA-N 1 1 351.367 -0.339 20 5 FBBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000076458211 483565153 /nfs/dbraw/zinc/56/51/53/483565153.db2.gz FCPLXGDHPCLXMT-LBPRGKRZSA-N 1 1 352.395 -0.115 20 5 FBBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000076458214 483475467 /nfs/dbraw/zinc/47/54/67/483475467.db2.gz FCPLXGDHPCLXMT-GFCCVEGCSA-N 1 1 352.395 -0.115 20 5 FBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000076458945 484760695 /nfs/dbraw/zinc/76/06/95/484760695.db2.gz INENOAAVLBUBCL-LBPRGKRZSA-N 1 1 352.395 -0.197 20 5 FBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000076458948 484759826 /nfs/dbraw/zinc/75/98/26/484759826.db2.gz INENOAAVLBUBCL-GFCCVEGCSA-N 1 1 352.395 -0.197 20 5 FBBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090552642 536368563 /nfs/dbraw/zinc/36/85/63/536368563.db2.gz GTDCASFZLZGBOZ-OAHLLOKOSA-N 1 1 363.418 -0.005 20 5 FBBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090552643 243134074 /nfs/dbraw/zinc/13/40/74/243134074.db2.gz GTDCASFZLZGBOZ-HNNXBMFYSA-N 1 1 363.418 -0.005 20 5 FBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000090588841 243133756 /nfs/dbraw/zinc/13/37/56/243133756.db2.gz UHIZZCGQZDBEHK-ZDUSSCGKSA-N 1 1 356.404 -0.087 20 5 FBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000090588841 243133749 /nfs/dbraw/zinc/13/37/49/243133749.db2.gz UHIZZCGQZDBEHK-ZDUSSCGKSA-N 1 1 356.404 -0.087 20 5 FBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000090588855 243132933 /nfs/dbraw/zinc/13/29/33/243132933.db2.gz UHIZZCGQZDBEHK-CYBMUJFWSA-N 1 1 356.404 -0.087 20 5 FBBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000090588855 243132923 /nfs/dbraw/zinc/13/29/23/243132923.db2.gz UHIZZCGQZDBEHK-CYBMUJFWSA-N 1 1 356.404 -0.087 20 5 FBBDMO CNC(=O)C[NH+]1CCC(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000102228335 483893633 /nfs/dbraw/zinc/89/36/33/483893633.db2.gz NWVIAODYVFCAMO-UHFFFAOYSA-N 1 1 352.395 -0.147 20 5 FBBDMO CNS(=O)(=O)c1ccc(NC2CC[NH+](CC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000106908826 661250720 /nfs/dbraw/zinc/25/07/20/661250720.db2.gz CCUQBMDQUQVHIK-UHFFFAOYSA-N 1 1 371.419 -0.136 20 5 FBBDMO NC(=O)C[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000106909538 661250795 /nfs/dbraw/zinc/25/07/95/661250795.db2.gz RZWYTLGTMMSEOQ-UHFFFAOYSA-N 1 1 357.392 -0.396 20 5 FBBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000119873499 243165495 /nfs/dbraw/zinc/16/54/95/243165495.db2.gz MTRJOTNPZZWQBG-LBPRGKRZSA-N 1 1 350.379 -0.444 20 5 FBBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000119873668 243165241 /nfs/dbraw/zinc/16/52/41/243165241.db2.gz MTRJOTNPZZWQBG-GFCCVEGCSA-N 1 1 350.379 -0.444 20 5 FBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000122266512 243167655 /nfs/dbraw/zinc/16/76/55/243167655.db2.gz BVJYXEPNCSKMCB-LLVKDONJSA-N 1 1 350.379 -0.293 20 5 FBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000122266771 243168580 /nfs/dbraw/zinc/16/85/80/243168580.db2.gz BVJYXEPNCSKMCB-NSHDSACASA-N 1 1 350.379 -0.293 20 5 FBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000127863544 483560542 /nfs/dbraw/zinc/56/05/42/483560542.db2.gz FLEPTNMSUJTRTE-NSHDSACASA-N 1 1 350.379 -0.293 20 5 FBBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000127863779 483560678 /nfs/dbraw/zinc/56/06/78/483560678.db2.gz FLEPTNMSUJTRTE-LLVKDONJSA-N 1 1 350.379 -0.293 20 5 FBBDMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000129233629 243179739 /nfs/dbraw/zinc/17/97/39/243179739.db2.gz NFHGTBOYYCADPO-UHFFFAOYSA-N 1 1 352.395 -0.196 20 5 FBBDMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000129233629 243179731 /nfs/dbraw/zinc/17/97/31/243179731.db2.gz NFHGTBOYYCADPO-UHFFFAOYSA-N 1 1 352.395 -0.196 20 5 FBBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)CC1 ZINC000133027041 243182664 /nfs/dbraw/zinc/18/26/64/243182664.db2.gz ZJXVDHFEVWXANU-LLVKDONJSA-N 1 1 350.379 -0.056 20 5 FBBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)CC1 ZINC000133027243 243184155 /nfs/dbraw/zinc/18/41/55/243184155.db2.gz ZJXVDHFEVWXANU-NSHDSACASA-N 1 1 350.379 -0.056 20 5 FBBDMO C[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)CN1CC[NH+](C)CC1 ZINC000151278672 243187059 /nfs/dbraw/zinc/18/70/59/243187059.db2.gz LJILBOJMBMUFLG-ZDUSSCGKSA-N 1 1 353.427 -0.026 20 5 FBBDMO C[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)CN1CC[NH+](C)CC1 ZINC000151278746 243186920 /nfs/dbraw/zinc/18/69/20/243186920.db2.gz LJILBOJMBMUFLG-CYBMUJFWSA-N 1 1 353.427 -0.026 20 5 FBBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000152258566 536368732 /nfs/dbraw/zinc/36/87/32/536368732.db2.gz XRWHDUFZUVRYCS-GFCCVEGCSA-N 1 1 350.379 -0.444 20 5 FBBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000152258677 536388525 /nfs/dbraw/zinc/38/85/25/536388525.db2.gz XRWHDUFZUVRYCS-LBPRGKRZSA-N 1 1 350.379 -0.444 20 5 FBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000152659864 243186562 /nfs/dbraw/zinc/18/65/62/243186562.db2.gz WBAUMRQJVKFJSO-ZDUSSCGKSA-N 1 1 364.406 -0.135 20 5 FBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000152659995 243187998 /nfs/dbraw/zinc/18/79/98/243187998.db2.gz WBAUMRQJVKFJSO-CYBMUJFWSA-N 1 1 364.406 -0.135 20 5 FBBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000152686889 536368474 /nfs/dbraw/zinc/36/84/74/536368474.db2.gz TUDFWUUQJUPMJF-CQSZACIVSA-N 1 1 364.406 -0.054 20 5 FBBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000152686998 536389155 /nfs/dbraw/zinc/38/91/55/536389155.db2.gz TUDFWUUQJUPMJF-AWEZNQCLSA-N 1 1 364.406 -0.054 20 5 FBBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000162481818 536368376 /nfs/dbraw/zinc/36/83/76/536368376.db2.gz LBEXWXOKYNJNOZ-LSDHHAIUSA-N 1 1 366.422 -0.609 20 5 FBBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000162481972 243200452 /nfs/dbraw/zinc/20/04/52/243200452.db2.gz LBEXWXOKYNJNOZ-GJZGRUSLSA-N 1 1 366.422 -0.609 20 5 FBBDMO CCN(CC)C(=O)CN1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174698656 535431541 /nfs/dbraw/zinc/43/15/41/535431541.db2.gz NMZCCEPQQGJLOX-HNNXBMFYSA-N 1 1 368.438 -0.362 20 5 FBBDMO CCN(CC)C(=O)CN1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174698668 535430578 /nfs/dbraw/zinc/43/05/78/535430578.db2.gz NMZCCEPQQGJLOX-OAHLLOKOSA-N 1 1 368.438 -0.362 20 5 FBBDMO O=C(CN1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)NC1CC1 ZINC000174708604 844243703 /nfs/dbraw/zinc/24/37/03/844243703.db2.gz CNXBDZXXLDMHBB-CQSZACIVSA-N 1 1 352.395 -0.952 20 5 FBBDMO O=C(CN1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)NC1CC1 ZINC000174708618 844243945 /nfs/dbraw/zinc/24/39/45/844243945.db2.gz CNXBDZXXLDMHBB-AWEZNQCLSA-N 1 1 352.395 -0.952 20 5 FBBDMO CC[C@@H](C)NC(=O)CN1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174720257 484266649 /nfs/dbraw/zinc/26/66/49/484266649.db2.gz HBMJPJKKPJJXTJ-HIFRSBDPSA-N 1 1 368.438 -0.316 20 5 FBBDMO CC[C@H](C)NC(=O)CN1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174720267 484267225 /nfs/dbraw/zinc/26/72/25/484267225.db2.gz HBMJPJKKPJJXTJ-ZFWWWQNUSA-N 1 1 368.438 -0.316 20 5 FBBDMO CC[C@@H](C)NC(=O)CN1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174720278 485141122 /nfs/dbraw/zinc/14/11/22/485141122.db2.gz HBMJPJKKPJJXTJ-UKRRQHHQSA-N 1 1 368.438 -0.316 20 5 FBBDMO CC[C@H](C)NC(=O)CN1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174720289 484266678 /nfs/dbraw/zinc/26/66/78/484266678.db2.gz HBMJPJKKPJJXTJ-DZGCQCFKSA-N 1 1 368.438 -0.316 20 5 FBBDMO CCc1nc(CN2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)no1 ZINC000174840779 536135949 /nfs/dbraw/zinc/13/59/49/536135949.db2.gz XROXQANLIAQHMJ-ZDUSSCGKSA-N 1 1 365.394 -0.085 20 5 FBBDMO CCc1nc(CN2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)no1 ZINC000174840787 536135791 /nfs/dbraw/zinc/13/57/91/536135791.db2.gz XROXQANLIAQHMJ-CYBMUJFWSA-N 1 1 365.394 -0.085 20 5 FBBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000178140544 483753531 /nfs/dbraw/zinc/75/35/31/483753531.db2.gz TXYJDNXXGQTJAR-CYBMUJFWSA-N 1 1 350.379 -0.444 20 5 FBBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000178140556 483753164 /nfs/dbraw/zinc/75/31/64/483753164.db2.gz TXYJDNXXGQTJAR-ZDUSSCGKSA-N 1 1 350.379 -0.444 20 5 FBBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186643056 243241719 /nfs/dbraw/zinc/24/17/19/243241719.db2.gz GNADXHXDXZQQNK-ZDUSSCGKSA-N 1 1 364.406 -0.087 20 5 FBBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186643072 243245660 /nfs/dbraw/zinc/24/56/60/243245660.db2.gz GNADXHXDXZQQNK-CYBMUJFWSA-N 1 1 364.406 -0.087 20 5 FBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186710663 243245585 /nfs/dbraw/zinc/24/55/85/243245585.db2.gz DSKHOTAYNQKZFO-LBPRGKRZSA-N 1 1 350.379 -0.477 20 5 FBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 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O=C([C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCOCC1 ZINC000266549395 483880765 /nfs/dbraw/zinc/88/07/65/483880765.db2.gz TYFLUKNPISTOAW-HUUCEWRRSA-N 1 1 367.406 -0.135 20 5 FBBDMO O=C([C@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCOCC1 ZINC000266549396 483880745 /nfs/dbraw/zinc/88/07/45/483880745.db2.gz TYFLUKNPISTOAW-LSDHHAIUSA-N 1 1 367.406 -0.135 20 5 FBBDMO COc1ccnc(N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000266574268 537117364 /nfs/dbraw/zinc/11/73/64/537117364.db2.gz LPDUZCKQPIBPNF-CYBMUJFWSA-N 1 1 363.378 -0.227 20 5 FBBDMO COc1ccnc(N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000266574269 483880835 /nfs/dbraw/zinc/88/08/35/483880835.db2.gz LPDUZCKQPIBPNF-ZDUSSCGKSA-N 1 1 363.378 -0.227 20 5 FBBDMO C[N@H+]1CCO[C@@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000266790976 483892056 /nfs/dbraw/zinc/89/20/56/483892056.db2.gz BGNMNNRNRCTAKA-CYBMUJFWSA-N 1 1 372.403 -0.680 20 5 FBBDMO 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ZINC000289960291 483791217 /nfs/dbraw/zinc/79/12/17/483791217.db2.gz WOTQOGMYGWITJH-CQSZACIVSA-N 1 1 366.418 -0.082 20 5 FBBDMO C[C@@H](O)C[N@H+](CCO)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000289960291 483791214 /nfs/dbraw/zinc/79/12/14/483791214.db2.gz WOTQOGMYGWITJH-CQSZACIVSA-N 1 1 366.418 -0.082 20 5 FBBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290788359 483582853 /nfs/dbraw/zinc/58/28/53/483582853.db2.gz OBBUYGAPECWLNQ-GFCCVEGCSA-N 1 1 362.390 -0.169 20 5 FBBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290788361 483580696 /nfs/dbraw/zinc/58/06/96/483580696.db2.gz OBBUYGAPECWLNQ-LBPRGKRZSA-N 1 1 362.390 -0.169 20 5 FBBDMO CNS(=O)(=O)NC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000291046045 536297520 /nfs/dbraw/zinc/29/75/20/536297520.db2.gz BLCZJSLABXZWNP-UHFFFAOYSA-N 1 1 359.408 -0.725 20 5 FBBDMO C[N@H+](Cc1ccccc1S(N)(=O)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000292766184 484251473 /nfs/dbraw/zinc/25/14/73/484251473.db2.gz OTSGSPZORGCGLV-CYBMUJFWSA-N 1 1 369.403 -0.068 20 5 FBBDMO C[N@@H+](Cc1ccccc1S(N)(=O)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000292766184 484251464 /nfs/dbraw/zinc/25/14/64/484251464.db2.gz OTSGSPZORGCGLV-CYBMUJFWSA-N 1 1 369.403 -0.068 20 5 FBBDMO C[N@H+](Cc1ccccc1S(N)(=O)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000292766188 244428705 /nfs/dbraw/zinc/42/87/05/244428705.db2.gz OTSGSPZORGCGLV-ZDUSSCGKSA-N 1 1 369.403 -0.068 20 5 FBBDMO C[N@@H+](Cc1ccccc1S(N)(=O)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000292766188 244428702 /nfs/dbraw/zinc/42/87/02/244428702.db2.gz OTSGSPZORGCGLV-ZDUSSCGKSA-N 1 1 369.403 -0.068 20 5 FBBDMO NS(=O)(=O)N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000298059272 484543603 /nfs/dbraw/zinc/54/36/03/484543603.db2.gz DWOPKKRBGJOTBV-UHFFFAOYSA-N 1 1 357.392 -0.256 20 5 FBBDMO COC(=O)CNC(=O)c1ccc(N2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000298183934 485137658 /nfs/dbraw/zinc/13/76/58/485137658.db2.gz FSMSESXNTXUEDJ-UHFFFAOYSA-N 1 1 366.374 -0.388 20 5 FBBDMO COC(=O)CNC(=O)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298204476 484342590 /nfs/dbraw/zinc/34/25/90/484342590.db2.gz YHTPFKRUTAHJJK-UHFFFAOYSA-N 1 1 351.363 -0.209 20 5 FBBDMO C[NH+](C)CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000298245635 484381278 /nfs/dbraw/zinc/38/12/78/484381278.db2.gz TUNWTOMFOVBCCD-LLVKDONJSA-N 1 1 359.408 -0.631 20 5 FBBDMO C[NH+](C)CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC000298245640 484380919 /nfs/dbraw/zinc/38/09/19/484380919.db2.gz TUNWTOMFOVBCCD-NSHDSACASA-N 1 1 359.408 -0.631 20 5 FBBDMO CNC(=O)C[NH+]1CCC(Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000298763729 484617649 /nfs/dbraw/zinc/61/76/49/484617649.db2.gz BFAANCAWQVONPN-UHFFFAOYSA-N 1 1 371.419 -0.136 20 5 FBBDMO COc1ccc(C(=O)NCC(=O)N2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000298795650 484646951 /nfs/dbraw/zinc/64/69/51/484646951.db2.gz HSSTWLMDSXXTGQ-UHFFFAOYSA-N 1 1 366.374 -0.530 20 5 FBBDMO Cc1cc(C(=O)NCC(=O)N2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000298805599 484652197 /nfs/dbraw/zinc/65/21/97/484652197.db2.gz NTCKXRFVPVMTLQ-UHFFFAOYSA-N 1 1 350.375 -0.230 20 5 FBBDMO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCO)CC1 ZINC000298809352 484653275 /nfs/dbraw/zinc/65/32/75/484653275.db2.gz QZMCXXIIYCIYKB-UHFFFAOYSA-N 1 1 350.375 -0.149 20 5 FBBDMO C[NH+](C)CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CCS(=O)(=O)C1 ZINC000298831178 535842546 /nfs/dbraw/zinc/84/25/46/535842546.db2.gz XAHLQYYPHIQLOS-LLVKDONJSA-N 1 1 359.408 -0.631 20 5 FBBDMO C[NH+](C)CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CCS(=O)(=O)C1 ZINC000298831179 484662823 /nfs/dbraw/zinc/66/28/23/484662823.db2.gz XAHLQYYPHIQLOS-NSHDSACASA-N 1 1 359.408 -0.631 20 5 FBBDMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000298908072 484681561 /nfs/dbraw/zinc/68/15/61/484681561.db2.gz CTLHNRITLCPVIR-UHFFFAOYSA-N 1 1 363.374 -0.186 20 5 FBBDMO C[NH+]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299179919 484785939 /nfs/dbraw/zinc/78/59/39/484785939.db2.gz XGKTYBDYGLWBHA-UHFFFAOYSA-N 1 1 371.419 -0.170 20 5 FBBDMO O=C(C[N@@H+]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1)N1CCCC1 ZINC000299250746 484810115 /nfs/dbraw/zinc/81/01/15/484810115.db2.gz MMCNWMMNYHTPPM-UHFFFAOYSA-N 1 1 364.406 -0.052 20 5 FBBDMO O=C(C[N@H+]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1)N1CCCC1 ZINC000299250746 484810108 /nfs/dbraw/zinc/81/01/08/484810108.db2.gz MMCNWMMNYHTPPM-UHFFFAOYSA-N 1 1 364.406 -0.052 20 5 FBBDMO C[NH+]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000299274652 484478905 /nfs/dbraw/zinc/47/89/05/484478905.db2.gz AJMVWTZABIYZSP-UHFFFAOYSA-N 1 1 371.419 -0.170 20 5 FBBDMO CCN1CC[NH+](CCCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000299474083 484879514 /nfs/dbraw/zinc/87/95/14/484879514.db2.gz BRPSMCMTJVICMH-UHFFFAOYSA-N 1 1 351.407 -0.100 20 5 FBBDMO C[NH+]1CCN(C(=O)CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000332576650 484860030 /nfs/dbraw/zinc/86/00/30/484860030.db2.gz ZDKUJIJTMWNQNS-UHFFFAOYSA-N 1 1 352.395 -0.193 20 5 FBBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)n1 ZINC000362020477 245066228 /nfs/dbraw/zinc/06/62/28/245066228.db2.gz HQGPNXWBSXDHQL-LLVKDONJSA-N 1 1 350.379 -0.293 20 5 FBBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)n1 ZINC000362020478 245066180 /nfs/dbraw/zinc/06/61/80/245066180.db2.gz HQGPNXWBSXDHQL-NSHDSACASA-N 1 1 350.379 -0.293 20 5 FBBDMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000363284484 245105301 /nfs/dbraw/zinc/10/53/01/245105301.db2.gz ODUHOUXGSOLGCL-UHFFFAOYSA-N 1 1 365.390 -0.621 20 5 FBBDMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000363284484 245105293 /nfs/dbraw/zinc/10/52/93/245105293.db2.gz ODUHOUXGSOLGCL-UHFFFAOYSA-N 1 1 365.390 -0.621 20 5 FBBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000363471791 245117187 /nfs/dbraw/zinc/11/71/87/245117187.db2.gz RIUYSKSPPALOOL-CYBMUJFWSA-N 1 1 364.406 -0.196 20 5 FBBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000363471792 245117419 /nfs/dbraw/zinc/11/74/19/245117419.db2.gz RIUYSKSPPALOOL-ZDUSSCGKSA-N 1 1 364.406 -0.196 20 5 FBBDMO NS(=O)(=O)N1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000363511208 483972439 /nfs/dbraw/zinc/97/24/39/483972439.db2.gz IHRWEVUETINNCR-CYBMUJFWSA-N 1 1 374.419 -0.454 20 5 FBBDMO NS(=O)(=O)N1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000363511209 483892936 /nfs/dbraw/zinc/89/29/36/483892936.db2.gz IHRWEVUETINNCR-ZDUSSCGKSA-N 1 1 374.419 -0.454 20 5 FBBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000363635548 245129214 /nfs/dbraw/zinc/12/92/14/245129214.db2.gz YPDIILCGKXZKTE-CYBMUJFWSA-N 1 1 364.406 -0.196 20 5 FBBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000363635549 245127298 /nfs/dbraw/zinc/12/72/98/245127298.db2.gz YPDIILCGKXZKTE-ZDUSSCGKSA-N 1 1 364.406 -0.196 20 5 FBBDMO CN(C)C(=O)C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000364334735 245165970 /nfs/dbraw/zinc/16/59/70/245165970.db2.gz BIMSNGJMMPJYJV-UHFFFAOYSA-N 1 1 350.379 -0.311 20 5 FBBDMO CN(C)C(=O)C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000364334735 245165966 /nfs/dbraw/zinc/16/59/66/245165966.db2.gz BIMSNGJMMPJYJV-UHFFFAOYSA-N 1 1 350.379 -0.311 20 5 FBBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000364416074 245169384 /nfs/dbraw/zinc/16/93/84/245169384.db2.gz IEBGTRUIIWVVOC-UHFFFAOYSA-N 1 1 366.422 -0.342 20 5 FBBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000364879840 536367955 /nfs/dbraw/zinc/36/79/55/536367955.db2.gz SVTLKUBMFGXBMK-CYBMUJFWSA-N 1 1 362.390 -0.049 20 5 FBBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000364879845 245200018 /nfs/dbraw/zinc/20/00/18/245200018.db2.gz SVTLKUBMFGXBMK-ZDUSSCGKSA-N 1 1 362.390 -0.049 20 5 FBBDMO O=C(CC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000364892600 245200841 /nfs/dbraw/zinc/20/08/41/245200841.db2.gz KEROQEWLLFBSMN-CYBMUJFWSA-N 1 1 361.358 -0.434 20 5 FBBDMO O=C(CC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000364892600 245200838 /nfs/dbraw/zinc/20/08/38/245200838.db2.gz KEROQEWLLFBSMN-CYBMUJFWSA-N 1 1 361.358 -0.434 20 5 FBBDMO O=C(CC[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000364892602 245201691 /nfs/dbraw/zinc/20/16/91/245201691.db2.gz KEROQEWLLFBSMN-ZDUSSCGKSA-N 1 1 361.358 -0.434 20 5 FBBDMO O=C(CC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000364892602 245201686 /nfs/dbraw/zinc/20/16/86/245201686.db2.gz KEROQEWLLFBSMN-ZDUSSCGKSA-N 1 1 361.358 -0.434 20 5 FBBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000364940449 245205238 /nfs/dbraw/zinc/20/52/38/245205238.db2.gz JCIDTDYRNHGGKM-GFCCVEGCSA-N 1 1 364.406 -0.292 20 5 FBBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000364940452 245204738 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ZINC000420148086 484705519 /nfs/dbraw/zinc/70/55/19/484705519.db2.gz DVTBTWNEJNVTIW-UHFFFAOYSA-N 1 1 358.301 -0.105 20 5 FBBDMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000420156561 484705701 /nfs/dbraw/zinc/70/57/01/484705701.db2.gz VZAPGISLYHXEQJ-UHFFFAOYSA-N 1 1 372.332 -0.651 20 5 FBBDMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000420176569 484705715 /nfs/dbraw/zinc/70/57/15/484705715.db2.gz QHALNDLWYOHKEU-UHFFFAOYSA-N 1 1 371.344 -0.046 20 5 FBBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCN1CCNC1=O ZINC000420975099 484721139 /nfs/dbraw/zinc/72/11/39/484721139.db2.gz QBDMEPAYCOFTNT-UHFFFAOYSA-N 1 1 371.419 -0.170 20 5 FBBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCN1CCNC1=O ZINC000420975099 484721132 /nfs/dbraw/zinc/72/11/32/484721132.db2.gz QBDMEPAYCOFTNT-UHFFFAOYSA-N 1 1 371.419 -0.170 20 5 FBBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCC(=O)NC(N)=O ZINC000421035028 484724733 /nfs/dbraw/zinc/72/47/33/484724733.db2.gz YYDVSSVAFSCXMN-UHFFFAOYSA-N 1 1 373.391 -0.610 20 5 FBBDMO [NH3+]CC(F)(F)CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423543104 484748434 /nfs/dbraw/zinc/74/84/34/484748434.db2.gz MVXAZPKYVHHSPH-UHFFFAOYSA-N 1 1 352.319 -0.417 20 5 FBBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424038521 484752240 /nfs/dbraw/zinc/75/22/40/484752240.db2.gz IRLAPZNQALTEKR-UHFFFAOYSA-N 1 1 360.417 -0.284 20 5 FBBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424039464 484752034 /nfs/dbraw/zinc/75/20/34/484752034.db2.gz JZRVFEFIWPDKLI-UHFFFAOYSA-N 1 1 354.388 -0.346 20 5 FBBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424039484 484752130 /nfs/dbraw/zinc/75/21/30/484752130.db2.gz KEOZZAQLISJETJ-UHFFFAOYSA-N 1 1 354.388 -0.346 20 5 FBBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424039491 484752188 /nfs/dbraw/zinc/75/21/88/484752188.db2.gz KFAYIWMPOCKQFE-UHFFFAOYSA-N 1 1 354.388 -0.346 20 5 FBBDMO O=C(c1csc([N+](=O)[O-])c1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424045391 484752891 /nfs/dbraw/zinc/75/28/91/484752891.db2.gz TZHPZQKXHPJWHC-UHFFFAOYSA-N 1 1 360.417 -0.284 20 5 FBBDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CC1=O ZINC000425316284 484771729 /nfs/dbraw/zinc/77/17/29/484771729.db2.gz LLLBCYZALCDHSA-LLVKDONJSA-N 1 1 368.394 -0.763 20 5 FBBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CC1=O ZINC000425316285 484772110 /nfs/dbraw/zinc/77/21/10/484772110.db2.gz LLLBCYZALCDHSA-NSHDSACASA-N 1 1 368.394 -0.763 20 5 FBBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1=O ZINC000425319303 484771928 /nfs/dbraw/zinc/77/19/28/484771928.db2.gz PRNLVSGOTDEYMO-JTQLQIEISA-N 1 1 354.367 -0.773 20 5 FBBDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1=O ZINC000425319304 484771707 /nfs/dbraw/zinc/77/17/07/484771707.db2.gz PRNLVSGOTDEYMO-SNVBAGLBSA-N 1 1 354.367 -0.773 20 5 FBBDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CC1=O ZINC000425321850 484772033 /nfs/dbraw/zinc/77/20/33/484772033.db2.gz SOXVDCYJHRHWFU-LLVKDONJSA-N 1 1 368.394 -0.763 20 5 FBBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CC1=O ZINC000425321851 484771776 /nfs/dbraw/zinc/77/17/76/484771776.db2.gz SOXVDCYJHRHWFU-NSHDSACASA-N 1 1 368.394 -0.763 20 5 FBBDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1=O ZINC000425323389 484771109 /nfs/dbraw/zinc/77/11/09/484771109.db2.gz VCYGPSDIUCWVER-LLVKDONJSA-N 1 1 368.394 -0.763 20 5 FBBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1=O ZINC000425323390 484771389 /nfs/dbraw/zinc/77/13/89/484771389.db2.gz VCYGPSDIUCWVER-NSHDSACASA-N 1 1 368.394 -0.763 20 5 FBBDMO C[C@](O)(CNC(=O)NCCn1cc([N+](=O)[O-])cn1)C[NH+]1CCOCC1 ZINC000426967224 484783845 /nfs/dbraw/zinc/78/38/45/484783845.db2.gz AGOLEWOSGIGFOS-AWEZNQCLSA-N 1 1 356.383 -0.826 20 5 FBBDMO C[C@@](O)(CNC(=O)NCCn1cc([N+](=O)[O-])cn1)C[NH+]1CCOCC1 ZINC000426967225 484783935 /nfs/dbraw/zinc/78/39/35/484783935.db2.gz AGOLEWOSGIGFOS-CQSZACIVSA-N 1 1 356.383 -0.826 20 5 FBBDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000426971288 484783533 /nfs/dbraw/zinc/78/35/33/484783533.db2.gz AZVXGGVEJDBGRO-UHFFFAOYSA-N 1 1 367.410 -0.403 20 5 FBBDMO [NH3+]CC(F)(F)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000427179473 484784988 /nfs/dbraw/zinc/78/49/88/484784988.db2.gz UFFIZNKKYCWIGL-UHFFFAOYSA-N 1 1 366.346 -0.027 20 5 FBBDMO [NH3+]CC(F)(F)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000427331100 483829376 /nfs/dbraw/zinc/82/93/76/483829376.db2.gz NYVKIDRKIMZYCR-UHFFFAOYSA-N 1 1 366.346 -0.027 20 5 FBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000427717855 484788368 /nfs/dbraw/zinc/78/83/68/484788368.db2.gz JOLCQJOOCIWQQX-GFCCVEGCSA-N 1 1 373.435 -0.323 20 5 FBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000427717856 484789047 /nfs/dbraw/zinc/78/90/47/484789047.db2.gz JOLCQJOOCIWQQX-LBPRGKRZSA-N 1 1 373.435 -0.323 20 5 FBBDMO C[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000428545900 659921192 /nfs/dbraw/zinc/92/11/92/659921192.db2.gz MKXRNPQHYVZXIW-GFCCVEGCSA-N 1 1 350.375 -0.150 20 5 FBBDMO C[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000428545900 659921190 /nfs/dbraw/zinc/92/11/90/659921190.db2.gz MKXRNPQHYVZXIW-GFCCVEGCSA-N 1 1 350.375 -0.150 20 5 FBBDMO C[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000428545901 484796610 /nfs/dbraw/zinc/79/66/10/484796610.db2.gz MKXRNPQHYVZXIW-LBPRGKRZSA-N 1 1 350.375 -0.150 20 5 FBBDMO C[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000428545901 484796606 /nfs/dbraw/zinc/79/66/06/484796606.db2.gz MKXRNPQHYVZXIW-LBPRGKRZSA-N 1 1 350.375 -0.150 20 5 FBBDMO Cc1[nH]nc(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000428633441 484796749 /nfs/dbraw/zinc/79/67/49/484796749.db2.gz VVVUKLUBEUVYIV-LLVKDONJSA-N 1 1 350.379 -0.090 20 5 FBBDMO Cc1[nH]nc(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000428633442 484796225 /nfs/dbraw/zinc/79/62/25/484796225.db2.gz VVVUKLUBEUVYIV-NSHDSACASA-N 1 1 350.379 -0.090 20 5 FBBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000429682669 484810614 /nfs/dbraw/zinc/81/06/14/484810614.db2.gz NYNHVWDHDIERCJ-JTQLQIEISA-N 1 1 354.388 -0.071 20 5 FBBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000429682670 484810144 /nfs/dbraw/zinc/81/01/44/484810144.db2.gz NYNHVWDHDIERCJ-SNVBAGLBSA-N 1 1 354.388 -0.071 20 5 FBBDMO C[C@](O)(CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C[NH+]1CCOCC1 ZINC000433382180 483697516 /nfs/dbraw/zinc/69/75/16/483697516.db2.gz CHYSWNZFUKLKLP-AWEZNQCLSA-N 1 1 374.419 -0.263 20 5 FBBDMO C[C@@](O)(CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C[NH+]1CCOCC1 ZINC000433382181 483698023 /nfs/dbraw/zinc/69/80/23/483698023.db2.gz CHYSWNZFUKLKLP-CQSZACIVSA-N 1 1 374.419 -0.263 20 5 FBBDMO C[C@](O)(CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)C[NH+]1CCOCC1 ZINC000433389427 483713505 /nfs/dbraw/zinc/71/35/05/483713505.db2.gz XDZAYNKVDIXAOK-AWEZNQCLSA-N 1 1 374.419 -0.263 20 5 FBBDMO C[C@@](O)(CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)C[NH+]1CCOCC1 ZINC000433389428 483716358 /nfs/dbraw/zinc/71/63/58/483716358.db2.gz XDZAYNKVDIXAOK-CQSZACIVSA-N 1 1 374.419 -0.263 20 5 FBBDMO CC(C)(C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)n1cc([N+](=O)[O-])cn1 ZINC000434321173 483836961 /nfs/dbraw/zinc/83/69/61/483836961.db2.gz KNXJDTBGDDTRED-HNNXBMFYSA-N 1 1 355.395 -0.274 20 5 FBBDMO CC(C)(C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)n1cc([N+](=O)[O-])cn1 ZINC000434321174 483837054 /nfs/dbraw/zinc/83/70/54/483837054.db2.gz KNXJDTBGDDTRED-OAHLLOKOSA-N 1 1 355.395 -0.274 20 5 FBBDMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000438712153 484091654 /nfs/dbraw/zinc/09/16/54/484091654.db2.gz QCEPWTJQGSNHOK-AAEUAGOBSA-N 1 1 361.424 -0.587 20 5 FBBDMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000438712154 484090983 /nfs/dbraw/zinc/09/09/83/484090983.db2.gz QCEPWTJQGSNHOK-DGCLKSJQSA-N 1 1 361.424 -0.587 20 5 FBBDMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000438712155 484093023 /nfs/dbraw/zinc/09/30/23/484093023.db2.gz QCEPWTJQGSNHOK-WCQYABFASA-N 1 1 361.424 -0.587 20 5 FBBDMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000438712156 484091005 /nfs/dbraw/zinc/09/10/05/484091005.db2.gz QCEPWTJQGSNHOK-YPMHNXCESA-N 1 1 361.424 -0.587 20 5 FBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440517969 484554166 /nfs/dbraw/zinc/55/41/66/484554166.db2.gz IVZLZBVAAOFKGL-INIZCTEOSA-N 1 1 360.374 -0.061 20 5 FBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440517970 484554023 /nfs/dbraw/zinc/55/40/23/484554023.db2.gz IVZLZBVAAOFKGL-MRXNPFEDSA-N 1 1 360.374 -0.061 20 5 FBBDMO Cc1nc(CN2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)no1 ZINC000440645672 484557829 /nfs/dbraw/zinc/55/78/29/484557829.db2.gz JPDJHMOHCWILCJ-CYBMUJFWSA-N 1 1 351.367 -0.339 20 5 FBBDMO Cc1nc(CN2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)no1 ZINC000440645675 484558359 /nfs/dbraw/zinc/55/83/59/484558359.db2.gz JPDJHMOHCWILCJ-ZDUSSCGKSA-N 1 1 351.367 -0.339 20 5 FBBDMO C[C@](O)(CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000442019263 484928380 /nfs/dbraw/zinc/92/83/80/484928380.db2.gz CBNMHQISHOQRSF-INIZCTEOSA-N 1 1 366.374 -0.267 20 5 FBBDMO C[C@@](O)(CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000442019265 484928369 /nfs/dbraw/zinc/92/83/69/484928369.db2.gz CBNMHQISHOQRSF-MRXNPFEDSA-N 1 1 366.374 -0.267 20 5 FBBDMO O=C(NCC(=O)N1CC[NH+](CCO)CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000445524512 484543773 /nfs/dbraw/zinc/54/37/73/484543773.db2.gz HWHCAXDJJMJHGU-UHFFFAOYSA-N 1 1 365.390 -0.470 20 5 FBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000448267888 484839425 /nfs/dbraw/zinc/83/94/25/484839425.db2.gz PEGFKIRVIXECCN-CQSZACIVSA-N 1 1 360.374 -0.278 20 5 FBBDMO CCOC(=O)[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12COC2 ZINC000451138883 483846584 /nfs/dbraw/zinc/84/65/84/483846584.db2.gz RDYZUFNJAVZLAT-CHWSQXEVSA-N 1 1 354.363 -0.336 20 5 FBBDMO CCOC(=O)[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12COC2 ZINC000451138884 483846545 /nfs/dbraw/zinc/84/65/45/483846545.db2.gz RDYZUFNJAVZLAT-OLZOCXBDSA-N 1 1 354.363 -0.336 20 5 FBBDMO CCOC(=O)[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12COC2 ZINC000451138885 483846499 /nfs/dbraw/zinc/84/64/99/483846499.db2.gz RDYZUFNJAVZLAT-QWHCGFSZSA-N 1 1 354.363 -0.336 20 5 FBBDMO CCOC(=O)[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12COC2 ZINC000451138886 483846413 /nfs/dbraw/zinc/84/64/13/483846413.db2.gz RDYZUFNJAVZLAT-STQMWFEESA-N 1 1 354.363 -0.336 20 5 FBBDMO CCn1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c([N+](=O)[O-])n1 ZINC000451674960 483853318 /nfs/dbraw/zinc/85/33/18/483853318.db2.gz ZFOBDGAXTPIREY-LLVKDONJSA-N 1 1 361.424 -0.064 20 5 FBBDMO CCn1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c([N+](=O)[O-])n1 ZINC000451674960 483853317 /nfs/dbraw/zinc/85/33/17/483853317.db2.gz ZFOBDGAXTPIREY-LLVKDONJSA-N 1 1 361.424 -0.064 20 5 FBBDMO CCn1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c([N+](=O)[O-])n1 ZINC000451674962 483853564 /nfs/dbraw/zinc/85/35/64/483853564.db2.gz ZFOBDGAXTPIREY-NSHDSACASA-N 1 1 361.424 -0.064 20 5 FBBDMO CCn1cc(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)c([N+](=O)[O-])n1 ZINC000451674962 483853561 /nfs/dbraw/zinc/85/35/61/483853561.db2.gz ZFOBDGAXTPIREY-NSHDSACASA-N 1 1 361.424 -0.064 20 5 FBBDMO CNc1nc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000455647359 484114366 /nfs/dbraw/zinc/11/43/66/484114366.db2.gz YXVMUMYZMZUZPY-UHFFFAOYSA-N 1 1 350.379 -0.075 20 5 FBBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000457102337 484556447 /nfs/dbraw/zinc/55/64/47/484556447.db2.gz ZQTXKMZHYGTWGI-GFCCVEGCSA-N 1 1 350.375 -0.150 20 5 FBBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000457102337 484556442 /nfs/dbraw/zinc/55/64/42/484556442.db2.gz ZQTXKMZHYGTWGI-GFCCVEGCSA-N 1 1 350.375 -0.150 20 5 FBBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000457102344 484554266 /nfs/dbraw/zinc/55/42/66/484554266.db2.gz ZQTXKMZHYGTWGI-LBPRGKRZSA-N 1 1 350.375 -0.150 20 5 FBBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000457102344 484554260 /nfs/dbraw/zinc/55/42/60/484554260.db2.gz ZQTXKMZHYGTWGI-LBPRGKRZSA-N 1 1 350.375 -0.150 20 5 FBBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000459494554 483906702 /nfs/dbraw/zinc/90/67/02/483906702.db2.gz JTPTYVDMCOZYKE-AWEZNQCLSA-N 1 1 351.407 -0.195 20 5 FBBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000459494559 483905052 /nfs/dbraw/zinc/90/50/52/483905052.db2.gz JTPTYVDMCOZYKE-CQSZACIVSA-N 1 1 351.407 -0.195 20 5 FBBDMO O=C1CO[C@H]2CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]2N1 ZINC000459524869 483919441 /nfs/dbraw/zinc/91/94/41/483919441.db2.gz ZZTVQRWERKNFEK-QEJZJMRPSA-N 1 1 351.359 -0.076 20 5 FBBDMO O=C1CO[C@H]2CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]2N1 ZINC000459524871 483919913 /nfs/dbraw/zinc/91/99/13/483919913.db2.gz ZZTVQRWERKNFEK-SNPRPXQTSA-N 1 1 351.359 -0.076 20 5 FBBDMO COc1cc(N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)ncn1 ZINC000461353888 484410535 /nfs/dbraw/zinc/41/05/35/484410535.db2.gz XNSKOMCGFWCXSH-CYBMUJFWSA-N 1 1 363.378 -0.227 20 5 FBBDMO COc1cc(N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)ncn1 ZINC000461353889 484410690 /nfs/dbraw/zinc/41/06/90/484410690.db2.gz XNSKOMCGFWCXSH-ZDUSSCGKSA-N 1 1 363.378 -0.227 20 5 FBBDMO C[C@](O)(CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000462878238 484581619 /nfs/dbraw/zinc/58/16/19/484581619.db2.gz KUCSYXRRYXIEKG-AWEZNQCLSA-N 1 1 374.419 -0.263 20 5 FBBDMO C[C@@](O)(CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000462878239 484580522 /nfs/dbraw/zinc/58/05/22/484580522.db2.gz KUCSYXRRYXIEKG-CQSZACIVSA-N 1 1 374.419 -0.263 20 5 FBBDMO Cn1ccnc(N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1=O ZINC000465033063 484835051 /nfs/dbraw/zinc/83/50/51/484835051.db2.gz PULKHMIFBBESFT-CYBMUJFWSA-N 1 1 363.378 -0.932 20 5 FBBDMO Cn1ccnc(N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1=O ZINC000465033064 484835606 /nfs/dbraw/zinc/83/56/06/484835606.db2.gz PULKHMIFBBESFT-ZDUSSCGKSA-N 1 1 363.378 -0.932 20 5 FBBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000467486431 484844281 /nfs/dbraw/zinc/84/42/81/484844281.db2.gz ICMQEEYFMPRMHZ-HNNXBMFYSA-N 1 1 355.395 -0.311 20 5 FBBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000467486432 484843501 /nfs/dbraw/zinc/84/35/01/484843501.db2.gz ICMQEEYFMPRMHZ-OAHLLOKOSA-N 1 1 355.395 -0.311 20 5 FBBDMO Cc1nn(CCC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000467489072 484843818 /nfs/dbraw/zinc/84/38/18/484843818.db2.gz AMMJVCYQIBEQEB-INIZCTEOSA-N 1 1 369.422 -0.002 20 5 FBBDMO Cc1nn(CCC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000467489073 484844066 /nfs/dbraw/zinc/84/40/66/484844066.db2.gz AMMJVCYQIBEQEB-MRXNPFEDSA-N 1 1 369.422 -0.002 20 5 FBBDMO Cc1[nH]nc(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000467635601 484844938 /nfs/dbraw/zinc/84/49/38/484844938.db2.gz FQNHRWRSTJJKNN-JTQLQIEISA-N 1 1 359.408 -0.183 20 5 FBBDMO Cc1n[nH]c(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000467635601 484844932 /nfs/dbraw/zinc/84/49/32/484844932.db2.gz FQNHRWRSTJJKNN-JTQLQIEISA-N 1 1 359.408 -0.183 20 5 FBBDMO Cc1[nH]nc(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000467635602 484844886 /nfs/dbraw/zinc/84/48/86/484844886.db2.gz FQNHRWRSTJJKNN-SNVBAGLBSA-N 1 1 359.408 -0.183 20 5 FBBDMO Cc1n[nH]c(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC000467635602 484844881 /nfs/dbraw/zinc/84/48/81/484844881.db2.gz FQNHRWRSTJJKNN-SNVBAGLBSA-N 1 1 359.408 -0.183 20 5 FBBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000468792153 484849696 /nfs/dbraw/zinc/84/96/96/484849696.db2.gz BVKFSWOAPIKNGY-AWEZNQCLSA-N 1 1 373.387 -0.274 20 5 FBBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000468792241 484849635 /nfs/dbraw/zinc/84/96/35/484849635.db2.gz BVKFSWOAPIKNGY-CQSZACIVSA-N 1 1 373.387 -0.274 20 5 FBBDMO CCn1cc(S(=O)(=O)N2CCC[N@H+]([C@H](C)CO)CC2)c([N+](=O)[O-])n1 ZINC000468998874 484851081 /nfs/dbraw/zinc/85/10/81/484851081.db2.gz NOLASMVPBBLENR-LLVKDONJSA-N 1 1 361.424 -0.112 20 5 FBBDMO CCn1cc(S(=O)(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c([N+](=O)[O-])n1 ZINC000468998874 484851076 /nfs/dbraw/zinc/85/10/76/484851076.db2.gz NOLASMVPBBLENR-LLVKDONJSA-N 1 1 361.424 -0.112 20 5 FBBDMO CCn1cc(S(=O)(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c([N+](=O)[O-])n1 ZINC000468999122 484851254 /nfs/dbraw/zinc/85/12/54/484851254.db2.gz NOLASMVPBBLENR-NSHDSACASA-N 1 1 361.424 -0.112 20 5 FBBDMO CCn1cc(S(=O)(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c([N+](=O)[O-])n1 ZINC000468999122 484851247 /nfs/dbraw/zinc/85/12/47/484851247.db2.gz NOLASMVPBBLENR-NSHDSACASA-N 1 1 361.424 -0.112 20 5 FBBDMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000469641247 484853701 /nfs/dbraw/zinc/85/37/01/484853701.db2.gz JCBUDIGFFQEXKW-UHFFFAOYSA-N 1 1 354.363 -0.028 20 5 FBBDMO CC[N@@H+](CCO)CCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000470592977 484858518 /nfs/dbraw/zinc/85/85/18/484858518.db2.gz QWNXXUBTWXSTRX-UHFFFAOYSA-N 1 1 366.374 -0.249 20 5 FBBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000472100588 484864581 /nfs/dbraw/zinc/86/45/81/484864581.db2.gz UGAQREUOMCPQDO-CYBMUJFWSA-N 1 1 351.407 -0.101 20 5 FBBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000472100589 484865182 /nfs/dbraw/zinc/86/51/82/484865182.db2.gz UGAQREUOMCPQDO-ZDUSSCGKSA-N 1 1 351.407 -0.101 20 5 FBBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000476365905 483432437 /nfs/dbraw/zinc/43/24/37/483432437.db2.gz UUJYUMKJFZQDOF-LLVKDONJSA-N 1 1 350.379 -0.293 20 5 FBBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000476365906 483431834 /nfs/dbraw/zinc/43/18/34/483431834.db2.gz UUJYUMKJFZQDOF-NSHDSACASA-N 1 1 350.379 -0.293 20 5 FBBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000476672144 483441854 /nfs/dbraw/zinc/44/18/54/483441854.db2.gz WLQQSFYMHDGVHY-NSHDSACASA-N 1 1 350.379 -0.293 20 5 FBBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000478804042 483863908 /nfs/dbraw/zinc/86/39/08/483863908.db2.gz FFZDVQRLZSGGCN-GFCCVEGCSA-N 1 1 365.390 -0.096 20 5 FBBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000478804050 483864003 /nfs/dbraw/zinc/86/40/03/483864003.db2.gz FFZDVQRLZSGGCN-LBPRGKRZSA-N 1 1 365.390 -0.096 20 5 FBBDMO Cn1ccnc1C(=O)c1ccc(N2CC[NH2+][C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000480420980 484041717 /nfs/dbraw/zinc/04/17/17/484041717.db2.gz QOBAWFWYSADQKO-LLVKDONJSA-N 1 1 358.358 -0.177 20 5 FBBDMO Cn1ccnc1C(=O)c1ccc(N2CC[NH2+][C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000480420983 484041249 /nfs/dbraw/zinc/04/12/49/484041249.db2.gz QOBAWFWYSADQKO-NSHDSACASA-N 1 1 358.358 -0.177 20 5 FBBDMO CC(C)(C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)n1cc([N+](=O)[O-])cn1 ZINC000485978922 484070892 /nfs/dbraw/zinc/07/08/92/484070892.db2.gz MFUHSAFRHNSBBL-GFCCVEGCSA-N 1 1 364.406 -0.051 20 5 FBBDMO CC(C)(C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)n1cc([N+](=O)[O-])cn1 ZINC000485978924 484070752 /nfs/dbraw/zinc/07/07/52/484070752.db2.gz MFUHSAFRHNSBBL-LBPRGKRZSA-N 1 1 364.406 -0.051 20 5 FBBDMO Cc1nn(C)c(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1[N+](=O)[O-] ZINC000485982531 484073012 /nfs/dbraw/zinc/07/30/12/484073012.db2.gz SUOYNBAUCCORBV-LLVKDONJSA-N 1 1 350.379 -0.327 20 5 FBBDMO Cc1nn(C)c(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1[N+](=O)[O-] ZINC000485982532 484073132 /nfs/dbraw/zinc/07/31/32/484073132.db2.gz SUOYNBAUCCORBV-NSHDSACASA-N 1 1 350.379 -0.327 20 5 FBBDMO C[NH+]1CCN(C(=O)Cn2cc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cn2)CC1 ZINC000488888613 484584785 /nfs/dbraw/zinc/58/47/85/484584785.db2.gz WLJXYICVVYWGCH-UHFFFAOYSA-N 1 1 362.350 -0.459 20 5 FBBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000489913307 484881392 /nfs/dbraw/zinc/88/13/92/484881392.db2.gz HIYCXAJABWOXON-GFCCVEGCSA-N 1 1 367.410 -0.322 20 5 FBBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000489913308 484880831 /nfs/dbraw/zinc/88/08/31/484880831.db2.gz HIYCXAJABWOXON-LBPRGKRZSA-N 1 1 367.410 -0.322 20 5 FBBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[NH+](CCO)CC1 ZINC000490118024 484882462 /nfs/dbraw/zinc/88/24/62/484882462.db2.gz NJKCSPDKLRNCPK-UHFFFAOYSA-N 1 1 362.342 -0.673 20 5 FBBDMO CNC(=O)C[NH+]1CCC(NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000490308611 484887301 /nfs/dbraw/zinc/88/73/01/484887301.db2.gz QLVSVPBVYXBRPY-UHFFFAOYSA-N 1 1 353.383 -0.699 20 5 FBBDMO COC(=O)C(C)(C)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000494395805 484967368 /nfs/dbraw/zinc/96/73/68/484967368.db2.gz IDGGYUYUNZXPEH-CYBMUJFWSA-N 1 1 355.395 -0.279 20 5 FBBDMO COC(=O)C(C)(C)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000494395806 484967022 /nfs/dbraw/zinc/96/70/22/484967022.db2.gz IDGGYUYUNZXPEH-ZDUSSCGKSA-N 1 1 355.395 -0.279 20 5 FBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000498530086 485003534 /nfs/dbraw/zinc/00/35/34/485003534.db2.gz SAMMNRCIVRYTRP-UHFFFAOYSA-N 1 1 374.405 -0.090 20 5 FBBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000501111066 484945885 /nfs/dbraw/zinc/94/58/85/484945885.db2.gz LNMSHHVYEMFZMY-CYBMUJFWSA-N 1 1 351.411 -0.185 20 5 FBBDMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000501111067 484946260 /nfs/dbraw/zinc/94/62/60/484946260.db2.gz LNMSHHVYEMFZMY-ZDUSSCGKSA-N 1 1 351.411 -0.185 20 5 FBBDMO NC(=O)[C@]1(O)CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000502868122 484959526 /nfs/dbraw/zinc/95/95/26/484959526.db2.gz GWCCWTCQENGGSL-HNNXBMFYSA-N 1 1 350.331 -0.185 20 5 FBBDMO NC(=O)[C@@]1(O)CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000502868124 484959455 /nfs/dbraw/zinc/95/94/55/484959455.db2.gz GWCCWTCQENGGSL-OAHLLOKOSA-N 1 1 350.331 -0.185 20 5 FBBDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CC1 ZINC000506476400 484995492 /nfs/dbraw/zinc/99/54/92/484995492.db2.gz GNGYMOMFNHQFJX-UHFFFAOYSA-N 1 1 350.379 -0.056 20 5 FBBDMO C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)CN1CC[NH+](C)CC1 ZINC000509915003 483462941 /nfs/dbraw/zinc/46/29/41/483462941.db2.gz HDUQFYSQNZDPEC-CYBMUJFWSA-N 1 1 351.407 -0.244 20 5 FBBDMO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)CN1CC[NH+](C)CC1 ZINC000509915006 483462983 /nfs/dbraw/zinc/46/29/83/483462983.db2.gz HDUQFYSQNZDPEC-ZDUSSCGKSA-N 1 1 351.407 -0.244 20 5 FBBDMO C[NH+]1CCN(C(=O)Cn2cc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cn2)CC1 ZINC000511166693 483579527 /nfs/dbraw/zinc/57/95/27/483579527.db2.gz DPKKMSSUXOZZOM-UHFFFAOYSA-N 1 1 362.350 -0.459 20 5 FBBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NCCCCN1CC[NH+](CCO)CC1 ZINC000511718363 483722033 /nfs/dbraw/zinc/72/20/33/483722033.db2.gz IJHPWHDERHCGMU-UHFFFAOYSA-N 1 1 366.422 -0.109 20 5 FBBDMO CC[C@@H](C(=O)OC)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000511888700 658764190 /nfs/dbraw/zinc/76/41/90/658764190.db2.gz AMZIICWMDGIBKC-KBPBESRZSA-N 1 1 355.395 -0.279 20 5 FBBDMO CC[C@@H](C(=O)OC)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000511888701 658764309 /nfs/dbraw/zinc/76/43/09/658764309.db2.gz AMZIICWMDGIBKC-KGLIPLIRSA-N 1 1 355.395 -0.279 20 5 FBBDMO CC[C@H](C(=O)OC)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000511888702 658764248 /nfs/dbraw/zinc/76/42/48/658764248.db2.gz AMZIICWMDGIBKC-UONOGXRCSA-N 1 1 355.395 -0.279 20 5 FBBDMO CC[C@H](C(=O)OC)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000511888703 658764105 /nfs/dbraw/zinc/76/41/05/658764105.db2.gz AMZIICWMDGIBKC-ZIAGYGMSSA-N 1 1 355.395 -0.279 20 5 FBBDMO CCC(CC)(NC(=O)C1C[NH+](CCn2cc([N+](=O)[O-])cn2)C1)C(N)=O ZINC000513231886 483876627 /nfs/dbraw/zinc/87/66/27/483876627.db2.gz KVIGUDZSGNKFTH-UHFFFAOYSA-N 1 1 352.395 -0.117 20 5 FBBDMO CCC(CC)(NC(=O)C1C[NH+](CCn2ccc([N+](=O)[O-])n2)C1)C(N)=O ZINC000513261793 483876652 /nfs/dbraw/zinc/87/66/52/483876652.db2.gz PGUODJYDFVERQE-UHFFFAOYSA-N 1 1 352.395 -0.117 20 5 FBBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513465758 483877367 /nfs/dbraw/zinc/87/73/67/483877367.db2.gz VKALUPSGFBOZRZ-GFCCVEGCSA-N 1 1 370.431 -0.026 20 5 FBBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513465759 483877382 /nfs/dbraw/zinc/87/73/82/483877382.db2.gz VKALUPSGFBOZRZ-LBPRGKRZSA-N 1 1 370.431 -0.026 20 5 FBBDMO C[C@@H]1C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C[C@@H](C)O1 ZINC000513467325 483877546 /nfs/dbraw/zinc/87/75/46/483877546.db2.gz UYBAQOJNWTXMGZ-CKYFFXLPSA-N 1 1 354.363 -0.675 20 5 FBBDMO C[C@@H]1C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C[C@@H](C)O1 ZINC000513467326 483877579 /nfs/dbraw/zinc/87/75/79/483877579.db2.gz UYBAQOJNWTXMGZ-FOGDFJRCSA-N 1 1 354.363 -0.675 20 5 FBBDMO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C[C@H](C)O1 ZINC000513467327 483877595 /nfs/dbraw/zinc/87/75/95/483877595.db2.gz UYBAQOJNWTXMGZ-JFGNBEQYSA-N 1 1 354.363 -0.675 20 5 FBBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C[C@H](C)O1 ZINC000513467327 483877593 /nfs/dbraw/zinc/87/75/93/483877593.db2.gz UYBAQOJNWTXMGZ-JFGNBEQYSA-N 1 1 354.363 -0.675 20 5 FBBDMO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C[C@H](C)O1 ZINC000513467328 483877659 /nfs/dbraw/zinc/87/76/59/483877659.db2.gz UYBAQOJNWTXMGZ-UMNHJUIQSA-N 1 1 354.363 -0.675 20 5 FBBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C[C@H](C)O1 ZINC000513467328 483877657 /nfs/dbraw/zinc/87/76/57/483877657.db2.gz UYBAQOJNWTXMGZ-UMNHJUIQSA-N 1 1 354.363 -0.675 20 5 FBBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000513671251 483879389 /nfs/dbraw/zinc/87/93/89/483879389.db2.gz HJPOJMXXDROVRZ-AWEZNQCLSA-N 1 1 357.388 -0.205 20 5 FBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000513671252 483879404 /nfs/dbraw/zinc/87/94/04/483879404.db2.gz HJPOJMXXDROVRZ-CQSZACIVSA-N 1 1 357.388 -0.205 20 5 FBBDMO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC[NH+](CCO)CC1 ZINC000515373451 484092145 /nfs/dbraw/zinc/09/21/45/484092145.db2.gz VJJPEQOCNBWKII-UHFFFAOYSA-N 1 1 364.358 -0.543 20 5 FBBDMO Cc1ccc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000515843310 484132696 /nfs/dbraw/zinc/13/26/96/484132696.db2.gz ZYOJGVUMEXLLBK-UHFFFAOYSA-N 1 1 368.415 -0.037 20 5 FBBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000516193709 484349940 /nfs/dbraw/zinc/34/99/40/484349940.db2.gz PAYMJQDBTUUWDZ-UHFFFAOYSA-N 1 1 350.379 -0.075 20 5 FBBDMO CN1CC[NH+](C[C@@H](O)COc2ccc([N+](=O)[O-])cc2-n2cnnn2)CC1 ZINC000516654590 484148124 /nfs/dbraw/zinc/14/81/24/484148124.db2.gz HWYMEPXJCIPZMG-CYBMUJFWSA-N 1 1 363.378 -0.442 20 5 FBBDMO CN1CC[NH+](C[C@H](O)COc2ccc([N+](=O)[O-])cc2-n2cnnn2)CC1 ZINC000516654591 484147538 /nfs/dbraw/zinc/14/75/38/484147538.db2.gz HWYMEPXJCIPZMG-ZDUSSCGKSA-N 1 1 363.378 -0.442 20 5 FBBDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000517083339 484159615 /nfs/dbraw/zinc/15/96/15/484159615.db2.gz PMQSXGRKUJDUDK-UHFFFAOYSA-N 1 1 364.406 -0.196 20 5 FBBDMO CCS(=O)(=O)NCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000517732301 483498155 /nfs/dbraw/zinc/49/81/55/483498155.db2.gz APYBSDCQYPDLMK-UHFFFAOYSA-N 1 1 365.433 -0.103 20 5 FBBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000517844181 483804063 /nfs/dbraw/zinc/80/40/63/483804063.db2.gz JOMOFKYKOKSAOQ-LLVKDONJSA-N 1 1 353.383 -0.755 20 5 FBBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000517844184 483804071 /nfs/dbraw/zinc/80/40/71/483804071.db2.gz JOMOFKYKOKSAOQ-NSHDSACASA-N 1 1 353.383 -0.755 20 5 FBBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000518077992 483488189 /nfs/dbraw/zinc/48/81/89/483488189.db2.gz WVUANQMYWYQOFY-GFCCVEGCSA-N 1 1 351.363 -0.788 20 5 FBBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000518077993 483760013 /nfs/dbraw/zinc/76/00/13/483760013.db2.gz WVUANQMYWYQOFY-LBPRGKRZSA-N 1 1 351.363 -0.788 20 5 FBBDMO COCC[N@@H+](C)C[C@@H](O)COc1ccc([N+](=O)[O-])cc1-n1cnnn1 ZINC000518398044 484394267 /nfs/dbraw/zinc/39/42/67/484394267.db2.gz YMWUIOWLWMSVGK-GFCCVEGCSA-N 1 1 352.351 -0.112 20 5 FBBDMO COCC[N@@H+](C)C[C@H](O)COc1ccc([N+](=O)[O-])cc1-n1cnnn1 ZINC000518398045 484394498 /nfs/dbraw/zinc/39/44/98/484394498.db2.gz YMWUIOWLWMSVGK-LBPRGKRZSA-N 1 1 352.351 -0.112 20 5 FBBDMO Cc1c(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000518532136 484443666 /nfs/dbraw/zinc/44/36/66/484443666.db2.gz XZFXPBSIOYYADU-UHFFFAOYSA-N 1 1 368.415 -0.037 20 5 FBBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000520269805 484401063 /nfs/dbraw/zinc/40/10/63/484401063.db2.gz VZTZSSZXQJBEDY-UHFFFAOYSA-N 1 1 352.395 -0.150 20 5 FBBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000520532172 484524971 /nfs/dbraw/zinc/52/49/71/484524971.db2.gz GUPXUQHAUYSDFC-GFCCVEGCSA-N 1 1 365.390 -0.540 20 5 FBBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000520532173 484525391 /nfs/dbraw/zinc/52/53/91/484525391.db2.gz GUPXUQHAUYSDFC-LBPRGKRZSA-N 1 1 365.390 -0.540 20 5 FBBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000521011670 484595233 /nfs/dbraw/zinc/59/52/33/484595233.db2.gz WGTZAJOVTSSSNH-UHFFFAOYSA-N 1 1 365.390 -0.575 20 5 FBBDMO O=C(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000521612627 484671955 /nfs/dbraw/zinc/67/19/55/484671955.db2.gz OMCIMPBUDIHKKC-UHFFFAOYSA-N 1 1 357.388 -0.183 20 5 FBBDMO C[N@H+]1CC[C@@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000523950136 484695859 /nfs/dbraw/zinc/69/58/59/484695859.db2.gz QSFXFAAHMUZNDY-LLVKDONJSA-N 1 1 356.404 -0.059 20 5 FBBDMO C[N@H+]1CC[C@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000523950137 484696079 /nfs/dbraw/zinc/69/60/79/484696079.db2.gz QSFXFAAHMUZNDY-NSHDSACASA-N 1 1 356.404 -0.059 20 5 FBBDMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000524304457 484704002 /nfs/dbraw/zinc/70/40/02/484704002.db2.gz IPXKQUXXWPPHEO-UHFFFAOYSA-N 1 1 367.410 -0.411 20 5 FBBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000524304457 484703997 /nfs/dbraw/zinc/70/39/97/484703997.db2.gz IPXKQUXXWPPHEO-UHFFFAOYSA-N 1 1 367.410 -0.411 20 5 FBBDMO CC(C)(C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)n1cc([N+](=O)[O-])cn1 ZINC000524607646 484710799 /nfs/dbraw/zinc/71/07/99/484710799.db2.gz MXZRAYXRWSMUEG-GFCCVEGCSA-N 1 1 352.395 -0.018 20 5 FBBDMO CC(C)(C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)n1cc([N+](=O)[O-])cn1 ZINC000524607647 484711144 /nfs/dbraw/zinc/71/11/44/484711144.db2.gz MXZRAYXRWSMUEG-LBPRGKRZSA-N 1 1 352.395 -0.018 20 5 FBBDMO CN(C)c1nc(N2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)cc[nH+]1 ZINC000524772369 484712632 /nfs/dbraw/zinc/71/26/32/484712632.db2.gz JFSABVKAMVIRSO-UHFFFAOYSA-N 1 1 360.378 -0.004 20 5 FBBDMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000525186245 484720767 /nfs/dbraw/zinc/72/07/67/484720767.db2.gz OYRQTQNVRWOPNU-UHFFFAOYSA-N 1 1 357.392 -0.568 20 5 FBBDMO Cc1nn(C)c(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000531872463 484792765 /nfs/dbraw/zinc/79/27/65/484792765.db2.gz JKOCRSNCBNJMPL-UHFFFAOYSA-N 1 1 352.395 -0.127 20 5 FBBDMO CN(C)S(=O)(=O)c1ccc(N2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000531909434 484793736 /nfs/dbraw/zinc/79/37/36/484793736.db2.gz WUPIGLBLPFWPIQ-UHFFFAOYSA-N 1 1 358.420 -0.041 20 5 FBBDMO CN(C)S(=O)(=O)c1ccc(N2CC[NH2+][C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000532166362 484796372 /nfs/dbraw/zinc/79/63/72/484796372.db2.gz XIYUDKIQJZIQQU-JTQLQIEISA-N 1 1 357.392 -0.891 20 5 FBBDMO CN(C)S(=O)(=O)c1ccc(N2CC[NH2+][C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000532166363 484796639 /nfs/dbraw/zinc/79/66/39/484796639.db2.gz XIYUDKIQJZIQQU-SNVBAGLBSA-N 1 1 357.392 -0.891 20 5 FBBDMO C[C@](O)(CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)C[NH+]1CCOCC1 ZINC000532907377 484802549 /nfs/dbraw/zinc/80/25/49/484802549.db2.gz IAUYYFWDUHYPFU-AWEZNQCLSA-N 1 1 374.419 -0.263 20 5 FBBDMO C[C@@](O)(CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)C[NH+]1CCOCC1 ZINC000532907378 484802950 /nfs/dbraw/zinc/80/29/50/484802950.db2.gz IAUYYFWDUHYPFU-CQSZACIVSA-N 1 1 374.419 -0.263 20 5 FBBDMO NS(=O)(=O)N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000533424308 484808000 /nfs/dbraw/zinc/80/80/00/484808000.db2.gz BLPZIQKJLOMZBK-UHFFFAOYSA-N 1 1 357.392 -0.256 20 5 FBBDMO CCn1cc(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])n1 ZINC000533635006 483565733 /nfs/dbraw/zinc/56/57/33/483565733.db2.gz FEEFGMJYKYHVJG-UHFFFAOYSA-N 1 1 374.423 -0.746 20 5 FBBDMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000536380120 483659338 /nfs/dbraw/zinc/65/93/38/483659338.db2.gz WTUHRVDXNISUAI-NSHDSACASA-N 1 1 359.408 -0.738 20 5 FBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000536430209 483838495 /nfs/dbraw/zinc/83/84/95/483838495.db2.gz UTZHSJFOWULVDJ-KBPBESRZSA-N 1 1 360.374 -0.062 20 5 FBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000536430223 483838725 /nfs/dbraw/zinc/83/87/25/483838725.db2.gz UTZHSJFOWULVDJ-KGLIPLIRSA-N 1 1 360.374 -0.062 20 5 FBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000536430224 483660317 /nfs/dbraw/zinc/66/03/17/483660317.db2.gz UTZHSJFOWULVDJ-UONOGXRCSA-N 1 1 360.374 -0.062 20 5 FBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000536430225 483660562 /nfs/dbraw/zinc/66/05/62/483660562.db2.gz UTZHSJFOWULVDJ-ZIAGYGMSSA-N 1 1 360.374 -0.062 20 5 FBBDMO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[NH+](CCO)CC1 ZINC000539226746 483840351 /nfs/dbraw/zinc/84/03/51/483840351.db2.gz WMKVTCZTHGOJLR-UHFFFAOYSA-N 1 1 372.403 -0.990 20 5 FBBDMO COC(=O)CC[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000539773679 483845998 /nfs/dbraw/zinc/84/59/98/483845998.db2.gz DHMQRYMKWZBULE-GFCCVEGCSA-N 1 1 366.374 -0.148 20 5 FBBDMO COC(=O)CC[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000539773679 483845995 /nfs/dbraw/zinc/84/59/95/483845995.db2.gz DHMQRYMKWZBULE-GFCCVEGCSA-N 1 1 366.374 -0.148 20 5 FBBDMO COC(=O)CC[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000539773681 483846096 /nfs/dbraw/zinc/84/60/96/483846096.db2.gz DHMQRYMKWZBULE-LBPRGKRZSA-N 1 1 366.374 -0.148 20 5 FBBDMO COC(=O)CC[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000539773681 483846094 /nfs/dbraw/zinc/84/60/94/483846094.db2.gz DHMQRYMKWZBULE-LBPRGKRZSA-N 1 1 366.374 -0.148 20 5 FBBDMO COc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000542107402 483995645 /nfs/dbraw/zinc/99/56/45/483995645.db2.gz RPDNXNKXPZYQOH-GFCCVEGCSA-N 1 1 365.390 -0.096 20 5 FBBDMO COc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000542107416 484003712 /nfs/dbraw/zinc/00/37/12/484003712.db2.gz RPDNXNKXPZYQOH-LBPRGKRZSA-N 1 1 365.390 -0.096 20 5 FBBDMO O=C(NCCCCN1CC[NH+](CCO)CC1)Nc1ccncc1[N+](=O)[O-] ZINC000542839521 484270116 /nfs/dbraw/zinc/27/01/16/484270116.db2.gz ACELOXNJFCALKI-UHFFFAOYSA-N 1 1 366.422 -0.077 20 5 FBBDMO CNC(=O)C[NH+]1CCC(Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000543899615 483971181 /nfs/dbraw/zinc/97/11/81/483971181.db2.gz FDTHUXFEPQHEAP-UHFFFAOYSA-N 1 1 371.419 -0.136 20 5 FBBDMO C[C@](O)(CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)C[NH+]1CCOCC1 ZINC000543900243 483956602 /nfs/dbraw/zinc/95/66/02/483956602.db2.gz FNNLXNWOBQYPKV-AWEZNQCLSA-N 1 1 374.419 -0.263 20 5 FBBDMO C[C@@](O)(CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)C[NH+]1CCOCC1 ZINC000543900244 483957053 /nfs/dbraw/zinc/95/70/53/483957053.db2.gz FNNLXNWOBQYPKV-CQSZACIVSA-N 1 1 374.419 -0.263 20 5 FBBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000544737959 484113095 /nfs/dbraw/zinc/11/30/95/484113095.db2.gz RJTWMSOLVNEDBH-UHFFFAOYSA-N 1 1 350.379 -0.146 20 5 FBBDMO COc1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000545153400 484318035 /nfs/dbraw/zinc/31/80/35/484318035.db2.gz KADPAKFRMNIGQG-HNNXBMFYSA-N 1 1 352.347 -0.275 20 5 FBBDMO COc1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000545153401 484317219 /nfs/dbraw/zinc/31/72/19/484317219.db2.gz KADPAKFRMNIGQG-OAHLLOKOSA-N 1 1 352.347 -0.275 20 5 FBBDMO C[N@H+]1CC[C@](O)(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000545154116 484318429 /nfs/dbraw/zinc/31/84/29/484318429.db2.gz HOVUIQWLWAMHFH-INIZCTEOSA-N 1 1 350.375 -0.103 20 5 FBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000545154118 484319538 /nfs/dbraw/zinc/31/95/38/484319538.db2.gz HOVUIQWLWAMHFH-MRXNPFEDSA-N 1 1 350.375 -0.103 20 5 FBBDMO COc1ccc(C(=O)NCC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000545155663 484441211 /nfs/dbraw/zinc/44/12/11/484441211.db2.gz SNXCYMNSEFAPAM-INIZCTEOSA-N 1 1 366.374 -0.484 20 5 FBBDMO COc1ccc(C(=O)NCC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000545155664 484443975 /nfs/dbraw/zinc/44/39/75/484443975.db2.gz SNXCYMNSEFAPAM-MRXNPFEDSA-N 1 1 366.374 -0.484 20 5 FBBDMO Cc1cc(C(=O)NCC(=O)NC[C@@]2(O)CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000545156818 484444155 /nfs/dbraw/zinc/44/41/55/484444155.db2.gz ILJVZEVEJUENSV-INIZCTEOSA-N 1 1 350.375 -0.184 20 5 FBBDMO Cc1cc(C(=O)NCC(=O)NC[C@]2(O)CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000545156819 484440641 /nfs/dbraw/zinc/44/06/41/484440641.db2.gz ILJVZEVEJUENSV-MRXNPFEDSA-N 1 1 350.375 -0.184 20 5 FBBDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000545160347 484443602 /nfs/dbraw/zinc/44/36/02/484443602.db2.gz QOPFZGPGHQFHMD-AWEZNQCLSA-N 1 1 373.387 -0.289 20 5 FBBDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000545160348 484443657 /nfs/dbraw/zinc/44/36/57/484443657.db2.gz QOPFZGPGHQFHMD-CQSZACIVSA-N 1 1 373.387 -0.289 20 5 FBBDMO C[N@H+]1CC[C@](O)(CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000545171891 484443129 /nfs/dbraw/zinc/44/31/29/484443129.db2.gz MGLLRCRWFYONLN-INIZCTEOSA-N 1 1 365.390 -0.423 20 5 FBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000545171892 484444404 /nfs/dbraw/zinc/44/44/04/484444404.db2.gz MGLLRCRWFYONLN-MRXNPFEDSA-N 1 1 365.390 -0.423 20 5 FBBDMO C[N@H+]1CC[C@](O)(CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000545173563 484444338 /nfs/dbraw/zinc/44/43/38/484444338.db2.gz GPMRRNPXKOQDSJ-INIZCTEOSA-N 1 1 362.342 -0.626 20 5 FBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000545173564 484443851 /nfs/dbraw/zinc/44/38/51/484443851.db2.gz GPMRRNPXKOQDSJ-MRXNPFEDSA-N 1 1 362.342 -0.626 20 5 FBBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000545419547 484512130 /nfs/dbraw/zinc/51/21/30/484512130.db2.gz ZRNLEOMLFPITCC-UHFFFAOYSA-N 1 1 366.422 -0.308 20 5 FBBDMO COC(=O)c1cn([C@H]2CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000545520165 484514436 /nfs/dbraw/zinc/51/44/36/484514436.db2.gz HUERNLNNJBPCQH-CMPLNLGQSA-N 1 1 365.350 -0.523 20 5 FBBDMO COC(=O)c1cn([C@H]2CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000545520166 484514374 /nfs/dbraw/zinc/51/43/74/484514374.db2.gz HUERNLNNJBPCQH-JQWIXIFHSA-N 1 1 365.350 -0.523 20 5 FBBDMO COC(=O)c1cn([C@@H]2CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000545520167 484515044 /nfs/dbraw/zinc/51/50/44/484515044.db2.gz HUERNLNNJBPCQH-PWSUYJOCSA-N 1 1 365.350 -0.523 20 5 FBBDMO COC(=O)c1cn([C@@H]2CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000545520168 484514587 /nfs/dbraw/zinc/51/45/87/484514587.db2.gz HUERNLNNJBPCQH-ZYHUDNBSSA-N 1 1 365.350 -0.523 20 5 FBBDMO C[N@H+]1CC[C@](O)(CNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000545880978 484534064 /nfs/dbraw/zinc/53/40/64/484534064.db2.gz XIKHRTGJOYNKKJ-HNNXBMFYSA-N 1 1 368.415 -0.031 20 5 FBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000545880979 484534635 /nfs/dbraw/zinc/53/46/35/484534635.db2.gz XIKHRTGJOYNKKJ-OAHLLOKOSA-N 1 1 368.415 -0.031 20 5 FBBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000546084512 484552332 /nfs/dbraw/zinc/55/23/32/484552332.db2.gz XURSPNKMRCVJMB-JTQLQIEISA-N 1 1 350.379 -0.111 20 5 FBBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000546084514 484551829 /nfs/dbraw/zinc/55/18/29/484551829.db2.gz XURSPNKMRCVJMB-SNVBAGLBSA-N 1 1 350.379 -0.111 20 5 FBBDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000546126073 484552360 /nfs/dbraw/zinc/55/23/60/484552360.db2.gz JWJWMBHFHLLTLF-UHFFFAOYSA-N 1 1 350.379 -0.192 20 5 FBBDMO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000546574581 483903368 /nfs/dbraw/zinc/90/33/68/483903368.db2.gz MHTOFYBWJCNVOG-AWEZNQCLSA-N 1 1 373.387 -0.274 20 5 FBBDMO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000546574582 483903270 /nfs/dbraw/zinc/90/32/70/483903270.db2.gz MHTOFYBWJCNVOG-CQSZACIVSA-N 1 1 373.387 -0.274 20 5 FBBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000546587328 483903831 /nfs/dbraw/zinc/90/38/31/483903831.db2.gz VFRFXCUMJCZECY-HNNXBMFYSA-N 1 1 352.347 -0.275 20 5 FBBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000546587329 483903847 /nfs/dbraw/zinc/90/38/47/483903847.db2.gz VFRFXCUMJCZECY-OAHLLOKOSA-N 1 1 352.347 -0.275 20 5 FBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000546587793 483903416 /nfs/dbraw/zinc/90/34/16/483903416.db2.gz RXJQBKVBMMKVRH-BDJLRTHQSA-N 1 1 366.374 -0.025 20 5 FBBDMO C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000546587794 483903590 /nfs/dbraw/zinc/90/35/90/483903590.db2.gz RXJQBKVBMMKVRH-BZNIZROVSA-N 1 1 366.374 -0.025 20 5 FBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000546587795 483903264 /nfs/dbraw/zinc/90/32/64/483903264.db2.gz RXJQBKVBMMKVRH-MEDUHNTESA-N 1 1 366.374 -0.025 20 5 FBBDMO C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000546587796 483903300 /nfs/dbraw/zinc/90/33/00/483903300.db2.gz RXJQBKVBMMKVRH-ZBEGNZNMSA-N 1 1 366.374 -0.025 20 5 FBBDMO Cc1c(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000546589081 483903204 /nfs/dbraw/zinc/90/32/04/483903204.db2.gz PWFWGUSVHHVBLY-AWEZNQCLSA-N 1 1 372.403 -0.653 20 5 FBBDMO Cc1c(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000546589082 483903496 /nfs/dbraw/zinc/90/34/96/483903496.db2.gz PWFWGUSVHHVBLY-CQSZACIVSA-N 1 1 372.403 -0.653 20 5 FBBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000547273853 484527510 /nfs/dbraw/zinc/52/75/10/484527510.db2.gz CZTXRFYCUMAEII-AWEZNQCLSA-N 1 1 357.388 -0.205 20 5 FBBDMO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000547273853 484527507 /nfs/dbraw/zinc/52/75/07/484527507.db2.gz CZTXRFYCUMAEII-AWEZNQCLSA-N 1 1 357.388 -0.205 20 5 FBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000547273857 484527670 /nfs/dbraw/zinc/52/76/70/484527670.db2.gz CZTXRFYCUMAEII-CQSZACIVSA-N 1 1 357.388 -0.205 20 5 FBBDMO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000547273857 484527666 /nfs/dbraw/zinc/52/76/66/484527666.db2.gz CZTXRFYCUMAEII-CQSZACIVSA-N 1 1 357.388 -0.205 20 5 FBBDMO C[N@H+]1CC[C@](O)(CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000547276724 484530177 /nfs/dbraw/zinc/53/01/77/484530177.db2.gz YGLKKXMDEMYVDU-INIZCTEOSA-N 1 1 364.358 -0.497 20 5 FBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000547276730 484530198 /nfs/dbraw/zinc/53/01/98/484530198.db2.gz YGLKKXMDEMYVDU-MRXNPFEDSA-N 1 1 364.358 -0.497 20 5 FBBDMO COCC[N@@H+](C)CCCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000549760057 484137024 /nfs/dbraw/zinc/13/70/24/484137024.db2.gz OJMMVELGFXABBK-UHFFFAOYSA-N 1 1 374.419 -0.060 20 5 FBBDMO COCCC[N@@H+](C)CCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000549763132 484136399 /nfs/dbraw/zinc/13/63/99/484136399.db2.gz HOYNSQQZLLJAMJ-UHFFFAOYSA-N 1 1 374.419 -0.060 20 5 FBBDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1=O ZINC000552106110 484343392 /nfs/dbraw/zinc/34/33/92/484343392.db2.gz XRURLLKSNNZQOO-LLVKDONJSA-N 1 1 368.394 -0.465 20 5 FBBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1=O ZINC000552106111 484345026 /nfs/dbraw/zinc/34/50/26/484345026.db2.gz XRURLLKSNNZQOO-NSHDSACASA-N 1 1 368.394 -0.465 20 5 FBBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1=O ZINC000552353554 484385174 /nfs/dbraw/zinc/38/51/74/484385174.db2.gz AQAGCCJVLQXNSI-JTQLQIEISA-N 1 1 354.367 -0.773 20 5 FBBDMO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1=O ZINC000552353554 484385168 /nfs/dbraw/zinc/38/51/68/484385168.db2.gz AQAGCCJVLQXNSI-JTQLQIEISA-N 1 1 354.367 -0.773 20 5 FBBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1=O ZINC000552353554 484385163 /nfs/dbraw/zinc/38/51/63/484385163.db2.gz AQAGCCJVLQXNSI-JTQLQIEISA-N 1 1 354.367 -0.773 20 5 FBBDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1=O ZINC000552353555 484385457 /nfs/dbraw/zinc/38/54/57/484385457.db2.gz AQAGCCJVLQXNSI-SNVBAGLBSA-N 1 1 354.367 -0.773 20 5 FBBDMO 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/nfs/dbraw/zinc/07/23/73/484072373.db2.gz TUEBDQCXBRWTHI-AWEZNQCLSA-N 1 1 372.447 -0.082 20 5 FBBDMO C[N@@H+](C[C@H](O)CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000562987615 484071779 /nfs/dbraw/zinc/07/17/79/484071779.db2.gz TUEBDQCXBRWTHI-CQSZACIVSA-N 1 1 372.447 -0.082 20 5 FBBDMO O=C1C[NH2+]CCN1[C@@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000563623506 484165581 /nfs/dbraw/zinc/16/55/81/484165581.db2.gz KTFJBXYKRZMDEV-LLVKDONJSA-N 1 1 369.403 -0.425 20 5 FBBDMO O=C1C[NH2+]CCN1[C@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000563623521 484165365 /nfs/dbraw/zinc/16/53/65/484165365.db2.gz KTFJBXYKRZMDEV-NSHDSACASA-N 1 1 369.403 -0.425 20 5 FBBDMO [NH3+]CC(F)(F)CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564463729 484409854 /nfs/dbraw/zinc/40/98/54/484409854.db2.gz WNZBZBZFUUOPDO-UHFFFAOYSA-N 1 1 366.346 -0.027 20 5 FBBDMO C[N@@H+](C[C@H](O)CNCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000564853756 484411119 /nfs/dbraw/zinc/41/11/19/484411119.db2.gz 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[NH3+]CC(F)(F)CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000566626968 483540559 /nfs/dbraw/zinc/54/05/59/483540559.db2.gz AILMAUDKPHLROI-UHFFFAOYSA-N 1 1 366.346 -0.027 20 5 FBBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000566805262 484153675 /nfs/dbraw/zinc/15/36/75/484153675.db2.gz OOIMMQVMIIWWAN-UHFFFAOYSA-N 1 1 350.379 -0.028 20 5 FBBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000567473343 483761885 /nfs/dbraw/zinc/76/18/85/483761885.db2.gz HFVNIHVRNYFNKS-UHFFFAOYSA-N 1 1 369.403 -0.764 20 5 FBBDMO CN(C)C(=O)CC[NH+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000567560917 483777830 /nfs/dbraw/zinc/77/78/30/483777830.db2.gz HWGCAMVQVUYLBK-UHFFFAOYSA-N 1 1 350.379 -0.311 20 5 FBBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1=O ZINC000567721756 483792141 /nfs/dbraw/zinc/79/21/41/483792141.db2.gz RIHYGNFNHKZJDH-JTQLQIEISA-N 1 1 354.367 -0.773 20 5 FBBDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1=O ZINC000567721757 483792333 /nfs/dbraw/zinc/79/23/33/483792333.db2.gz RIHYGNFNHKZJDH-SNVBAGLBSA-N 1 1 354.367 -0.773 20 5 FBBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000568748315 483858023 /nfs/dbraw/zinc/85/80/23/483858023.db2.gz KJKFNUQEHSGVPC-LLVKDONJSA-N 1 1 350.379 -0.152 20 5 FBBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000568748316 483857994 /nfs/dbraw/zinc/85/79/94/483857994.db2.gz KJKFNUQEHSGVPC-NSHDSACASA-N 1 1 350.379 -0.152 20 5 FBBDMO CN(C)S(=O)(=O)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569716938 483879457 /nfs/dbraw/zinc/87/94/57/483879457.db2.gz VXHAGZAJBZYWSY-UHFFFAOYSA-N 1 1 365.433 -0.151 20 5 FBBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000570514943 484200797 /nfs/dbraw/zinc/20/07/97/484200797.db2.gz XFSRWEZGPJCFNU-UHFFFAOYSA-N 1 1 368.415 -0.417 20 5 FBBDMO CCn1cc(S(=O)(=O)NCCCN(C)CC[NH+](C)C)c([N+](=O)[O-])n1 ZINC000570557117 483881482 /nfs/dbraw/zinc/88/14/82/483881482.db2.gz IPTXUOFXXOREEV-UHFFFAOYSA-N 1 1 362.456 -0.027 20 5 FBBDMO CCn1cc(S(=O)(=O)NCCC[N@@H+](C)CCN(C)C)c([N+](=O)[O-])n1 ZINC000570557117 483881481 /nfs/dbraw/zinc/88/14/81/483881481.db2.gz IPTXUOFXXOREEV-UHFFFAOYSA-N 1 1 362.456 -0.027 20 5 FBBDMO C[NH+](C)[C@H]1CN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000570815332 484245161 /nfs/dbraw/zinc/24/51/61/484245161.db2.gz WPDNIPYSBKORFM-RYUDHWBXSA-N 1 1 357.388 -0.255 20 5 FBBDMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000571031770 483890933 /nfs/dbraw/zinc/89/09/33/483890933.db2.gz ZJISGNCZPJHMSW-UHFFFAOYSA-N 1 1 372.332 -0.651 20 5 FBBDMO CNc1nccc(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000572660871 484205932 /nfs/dbraw/zinc/20/59/32/484205932.db2.gz VFGKSYPXEMWGDY-UHFFFAOYSA-N 1 1 364.406 0.268 20 5 FBBDMO Cc1cccc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000574156696 484293890 /nfs/dbraw/zinc/29/38/90/484293890.db2.gz GUTDMGRUBZAVRA-UHFFFAOYSA-N 1 1 368.415 -0.037 20 5 FBBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000574757980 484055836 /nfs/dbraw/zinc/05/58/36/484055836.db2.gz PNLHOJRKUPUZHX-UHFFFAOYSA-N 1 1 368.415 -0.417 20 5 FBBDMO CS(=O)(=O)NCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576149092 484915348 /nfs/dbraw/zinc/91/53/48/484915348.db2.gz ITLMJCNSXSMMGO-UHFFFAOYSA-N 1 1 351.406 -0.493 20 5 FBBDMO C[N@H+]1CCO[C@H](C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000576210457 484146471 /nfs/dbraw/zinc/14/64/71/484146471.db2.gz ONSNRLTZBNZURY-AWEZNQCLSA-N 1 1 360.374 0.397 20 5 FBBDMO C[N@@H+]1CCO[C@H](C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000576210457 484146463 /nfs/dbraw/zinc/14/64/63/484146463.db2.gz ONSNRLTZBNZURY-AWEZNQCLSA-N 1 1 360.374 0.397 20 5 FBBDMO C[N@H+]1CCO[C@@H](C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000576210458 484145893 /nfs/dbraw/zinc/14/58/93/484145893.db2.gz ONSNRLTZBNZURY-CQSZACIVSA-N 1 1 360.374 0.397 20 5 FBBDMO C[N@@H+]1CCO[C@@H](C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000576210458 484145886 /nfs/dbraw/zinc/14/58/86/484145886.db2.gz ONSNRLTZBNZURY-CQSZACIVSA-N 1 1 360.374 0.397 20 5 FBBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000577105073 483909563 /nfs/dbraw/zinc/90/95/63/483909563.db2.gz CWHQIMFBBFJQNQ-UHFFFAOYSA-N 1 1 372.378 -0.207 20 5 FBBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000577220433 483934906 /nfs/dbraw/zinc/93/49/06/483934906.db2.gz HCPLEHFKWWYLLG-UHFFFAOYSA-N 1 1 372.378 -0.207 20 5 FBBDMO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000577385677 483965549 /nfs/dbraw/zinc/96/55/49/483965549.db2.gz MNEFKFVVEZMJFJ-GXTWGEPZSA-N 1 1 354.411 -0.671 20 5 FBBDMO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000577385690 483964459 /nfs/dbraw/zinc/96/44/59/483964459.db2.gz MNEFKFVVEZMJFJ-JSGCOSHPSA-N 1 1 354.411 -0.671 20 5 FBBDMO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000577385692 483964328 /nfs/dbraw/zinc/96/43/28/483964328.db2.gz MNEFKFVVEZMJFJ-OCCSQVGLSA-N 1 1 354.411 -0.671 20 5 FBBDMO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000577385694 483965339 /nfs/dbraw/zinc/96/53/39/483965339.db2.gz MNEFKFVVEZMJFJ-TZMCWYRMSA-N 1 1 354.411 -0.671 20 5 FBBDMO C[N@@H+](C[C@@H](O)CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000577622062 483402488 /nfs/dbraw/zinc/40/24/88/483402488.db2.gz SUIKDIFWTNBISF-AWEZNQCLSA-N 1 1 372.447 -0.082 20 5 FBBDMO C[N@@H+](C[C@H](O)CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000577622063 483402954 /nfs/dbraw/zinc/40/29/54/483402954.db2.gz SUIKDIFWTNBISF-CQSZACIVSA-N 1 1 372.447 -0.082 20 5 FBBDMO Nc1c(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000578131420 483429184 /nfs/dbraw/zinc/42/91/84/483429184.db2.gz ZUZMIASQJVFGJM-UHFFFAOYSA-N 1 1 369.403 -0.764 20 5 FBBDMO CNc1nccc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000578203388 484209355 /nfs/dbraw/zinc/20/93/55/484209355.db2.gz QUBZXIUZUQAQPF-LLVKDONJSA-N 1 1 364.406 0.349 20 5 FBBDMO CNc1nccc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000578203389 484209487 /nfs/dbraw/zinc/20/94/87/484209487.db2.gz QUBZXIUZUQAQPF-NSHDSACASA-N 1 1 364.406 0.349 20 5 FBBDMO Cc1cc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000578441779 483498432 /nfs/dbraw/zinc/49/84/32/483498432.db2.gz ACSWFDCAKRUKRZ-UHFFFAOYSA-N 1 1 368.415 -0.037 20 5 FBBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000579352017 483624491 /nfs/dbraw/zinc/62/44/91/483624491.db2.gz KUHDLXVMSYORFY-UHFFFAOYSA-N 1 1 368.415 -0.417 20 5 FBBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000580209892 484550013 /nfs/dbraw/zinc/55/00/13/484550013.db2.gz HMGVOMLZFNNQCG-JTQLQIEISA-N 1 1 350.379 -0.111 20 5 FBBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000580209896 484549593 /nfs/dbraw/zinc/54/95/93/484549593.db2.gz HMGVOMLZFNNQCG-SNVBAGLBSA-N 1 1 350.379 -0.111 20 5 FBBDMO CNS(=O)(=O)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000581880390 484252470 /nfs/dbraw/zinc/25/24/70/484252470.db2.gz HZGMKLOPTOXDEY-UHFFFAOYSA-N 1 1 351.406 -0.493 20 5 FBBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000583033558 484524768 /nfs/dbraw/zinc/52/47/68/484524768.db2.gz HTTAOQGDEXIMMB-UHFFFAOYSA-N 1 1 350.379 -0.146 20 5 FBBDMO O=C1[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCN1CCO ZINC000583565295 484430525 /nfs/dbraw/zinc/43/05/25/484430525.db2.gz YWDSOEJCEYWLSD-AWEZNQCLSA-N 1 1 371.415 -0.059 20 5 FBBDMO O=C1[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCN1CCO ZINC000583565296 484430748 /nfs/dbraw/zinc/43/07/48/484430748.db2.gz YWDSOEJCEYWLSD-CQSZACIVSA-N 1 1 371.415 -0.059 20 5 FBBDMO CNc1nccc(C(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC000584241717 484206169 /nfs/dbraw/zinc/20/61/69/484206169.db2.gz SINZYSAEEIEIAR-JTQLQIEISA-N 1 1 351.363 0.208 20 5 FBBDMO CNc1nccc(C(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC000584241717 484206163 /nfs/dbraw/zinc/20/61/63/484206163.db2.gz SINZYSAEEIEIAR-JTQLQIEISA-N 1 1 351.363 0.208 20 5 FBBDMO CNc1nccc(C(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC000584241718 484205209 /nfs/dbraw/zinc/20/52/09/484205209.db2.gz SINZYSAEEIEIAR-SNVBAGLBSA-N 1 1 351.363 0.208 20 5 FBBDMO CNc1nccc(C(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC000584241718 484205205 /nfs/dbraw/zinc/20/52/05/484205205.db2.gz SINZYSAEEIEIAR-SNVBAGLBSA-N 1 1 351.363 0.208 20 5 FBBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000584837908 483942699 /nfs/dbraw/zinc/94/26/99/483942699.db2.gz DENRURZBEOICQO-UHFFFAOYSA-N 1 1 368.415 -0.037 20 5 FBBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CN2CCN1CCC2 ZINC000585682872 484135906 /nfs/dbraw/zinc/13/59/06/484135906.db2.gz VGWXSIZTJHOADM-HNNXBMFYSA-N 1 1 361.402 -0.169 20 5 FBBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000585682873 484128447 /nfs/dbraw/zinc/12/84/47/484128447.db2.gz VGWXSIZTJHOADM-OAHLLOKOSA-N 1 1 361.402 -0.169 20 5 FBBDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000588878922 484587165 /nfs/dbraw/zinc/58/71/65/484587165.db2.gz CFONCHCPGOXPOV-GFCCVEGCSA-N 1 1 368.394 -0.913 20 5 FBBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000588878937 484587080 /nfs/dbraw/zinc/58/70/80/484587080.db2.gz CFONCHCPGOXPOV-LBPRGKRZSA-N 1 1 368.394 -0.913 20 5 FBBDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1=O ZINC000588882015 484586864 /nfs/dbraw/zinc/58/68/64/484586864.db2.gz FDTIWZUYOTXPFT-LLVKDONJSA-N 1 1 353.379 -0.168 20 5 FBBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1=O ZINC000588882018 484587540 /nfs/dbraw/zinc/58/75/40/484587540.db2.gz FDTIWZUYOTXPFT-NSHDSACASA-N 1 1 353.379 -0.168 20 5 FBBDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1=O ZINC000588882276 484586889 /nfs/dbraw/zinc/58/68/89/484586889.db2.gz PXPIJXQZCCMUFC-GFCCVEGCSA-N 1 1 368.394 -0.913 20 5 FBBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1=O ZINC000588882279 484587418 /nfs/dbraw/zinc/58/74/18/484587418.db2.gz PXPIJXQZCCMUFC-LBPRGKRZSA-N 1 1 368.394 -0.913 20 5 FBBDMO NC(=O)c1ccnc(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000589571151 484202374 /nfs/dbraw/zinc/20/23/74/484202374.db2.gz NINSYMJSVOOFKW-JTQLQIEISA-N 1 1 350.379 0.088 20 5 FBBDMO NC(=O)c1ccnc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000589571154 484200186 /nfs/dbraw/zinc/20/01/86/484200186.db2.gz NINSYMJSVOOFKW-SNVBAGLBSA-N 1 1 350.379 0.088 20 5 FBBDMO O=C(NCC(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000590551036 483574040 /nfs/dbraw/zinc/57/40/40/483574040.db2.gz VBFSXIHEZMQGJZ-CABCVRRESA-N 1 1 362.386 -0.008 20 5 FBBDMO O=C(NCC(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000590551038 484701536 /nfs/dbraw/zinc/70/15/36/484701536.db2.gz VBFSXIHEZMQGJZ-GJZGRUSLSA-N 1 1 362.386 -0.008 20 5 FBBDMO O=C(NCC(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000590551040 484702161 /nfs/dbraw/zinc/70/21/61/484702161.db2.gz VBFSXIHEZMQGJZ-HUUCEWRRSA-N 1 1 362.386 -0.008 20 5 FBBDMO O=C(NCC(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000590551043 484702007 /nfs/dbraw/zinc/70/20/07/484702007.db2.gz VBFSXIHEZMQGJZ-LSDHHAIUSA-N 1 1 362.386 -0.008 20 5 FBBDMO CN(C)S(=O)(=O)NCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590965382 484763618 /nfs/dbraw/zinc/76/36/18/484763618.db2.gz XIQFAFIWSXGARK-UHFFFAOYSA-N 1 1 360.392 -0.148 20 5 FBBDMO Cc1cc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cc([N+](=O)[O-])c1 ZINC000592342903 484964661 /nfs/dbraw/zinc/96/46/61/484964661.db2.gz GCIOURVLMJFGST-UHFFFAOYSA-N 1 1 368.415 -0.037 20 5 FBBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000592342954 484965103 /nfs/dbraw/zinc/96/51/03/484965103.db2.gz OALXZTCGJFFETP-UHFFFAOYSA-N 1 1 368.415 -0.037 20 5 FBBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000592342996 484964877 /nfs/dbraw/zinc/96/48/77/484964877.db2.gz VEHQSXADUPWLEK-UHFFFAOYSA-N 1 1 369.403 -0.642 20 5 FBBDMO CCn1cc(S(=O)(=O)N2CCC[NH2+]C[C@@H]2C(=O)OC)c([N+](=O)[O-])n1 ZINC000592389500 484971216 /nfs/dbraw/zinc/97/12/16/484971216.db2.gz WMCLMVLQHLRONI-SECBINFHSA-N 1 1 361.380 -0.663 20 5 FBBDMO CCn1cc(S(=O)(=O)N2CCC[NH2+]C[C@H]2C(=O)OC)c([N+](=O)[O-])n1 ZINC000592389501 484971260 /nfs/dbraw/zinc/97/12/60/484971260.db2.gz WMCLMVLQHLRONI-VIFPVBQESA-N 1 1 361.380 -0.663 20 5 FBBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000592566190 484996633 /nfs/dbraw/zinc/99/66/33/484996633.db2.gz DJYGFDYFNSBYKM-UHFFFAOYSA-N 1 1 368.415 -0.037 20 5 FBBDMO CNS(=O)(=O)c1ccc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000593507816 485130104 /nfs/dbraw/zinc/13/01/04/485130104.db2.gz MLZPJPRNBUWEBY-LLVKDONJSA-N 1 1 356.404 -0.242 20 5 FBBDMO CNS(=O)(=O)c1ccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000593507816 485130100 /nfs/dbraw/zinc/13/01/00/485130100.db2.gz MLZPJPRNBUWEBY-LLVKDONJSA-N 1 1 356.404 -0.242 20 5 FBBDMO COCCOCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000593518038 485134260 /nfs/dbraw/zinc/13/42/60/485134260.db2.gz NASBSLQBUWIWRV-UHFFFAOYSA-N 1 1 353.379 -0.126 20 5 FBBDMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593531141 485137706 /nfs/dbraw/zinc/13/77/06/485137706.db2.gz CRIRMTGSAODNDF-UHFFFAOYSA-N 1 1 357.392 -0.568 20 5 FBBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593540231 485140565 /nfs/dbraw/zinc/14/05/65/485140565.db2.gz OYZARYKYWUIICU-LLVKDONJSA-N 1 1 371.419 -0.145 20 5 FBBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593540232 485140051 /nfs/dbraw/zinc/14/00/51/485140051.db2.gz OYZARYKYWUIICU-NSHDSACASA-N 1 1 371.419 -0.145 20 5 FBBDMO Cc1cc(C(=O)NCC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000593853896 485194107 /nfs/dbraw/zinc/19/41/07/485194107.db2.gz HOUXMEGECDJXEJ-CQSZACIVSA-N 1 1 362.386 -0.090 20 5 FBBDMO Cc1cc(C(=O)NCC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000593853896 485194103 /nfs/dbraw/zinc/19/41/03/485194103.db2.gz HOUXMEGECDJXEJ-CQSZACIVSA-N 1 1 362.386 -0.090 20 5 FBBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593854491 485195321 /nfs/dbraw/zinc/19/53/21/485195321.db2.gz KRDALJDEKYCZES-IAQYHMDHSA-N 1 1 362.386 -0.010 20 5 FBBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593854491 485195315 /nfs/dbraw/zinc/19/53/15/485195315.db2.gz KRDALJDEKYCZES-IAQYHMDHSA-N 1 1 362.386 -0.010 20 5 FBBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593854492 485194796 /nfs/dbraw/zinc/19/47/96/485194796.db2.gz KRDALJDEKYCZES-XHDPSFHLSA-N 1 1 362.386 -0.010 20 5 FBBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593854492 485194794 /nfs/dbraw/zinc/19/47/94/485194794.db2.gz KRDALJDEKYCZES-XHDPSFHLSA-N 1 1 362.386 -0.010 20 5 FBBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593856031 485194434 /nfs/dbraw/zinc/19/44/34/485194434.db2.gz UTDDHHAYZYVJLS-LLVKDONJSA-N 1 1 374.353 -0.532 20 5 FBBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593856031 485194428 /nfs/dbraw/zinc/19/44/28/485194428.db2.gz UTDDHHAYZYVJLS-LLVKDONJSA-N 1 1 374.353 -0.532 20 5 FBBDMO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593856461 485195419 /nfs/dbraw/zinc/19/54/19/485195419.db2.gz XHENNARSXUNDJQ-OAHLLOKOSA-N 1 1 362.386 -0.008 20 5 FBBDMO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593856461 485195415 /nfs/dbraw/zinc/19/54/15/485195415.db2.gz XHENNARSXUNDJQ-OAHLLOKOSA-N 1 1 362.386 -0.008 20 5 FBBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000594262594 484551175 /nfs/dbraw/zinc/55/11/75/484551175.db2.gz RMWSIWMWZAVKQK-GFCCVEGCSA-N 1 1 362.390 0.126 20 5 FBBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000594262595 484550349 /nfs/dbraw/zinc/55/03/49/484550349.db2.gz RMWSIWMWZAVKQK-LBPRGKRZSA-N 1 1 362.390 0.126 20 5 FBBDMO Nc1nccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000594299320 484531444 /nfs/dbraw/zinc/53/14/44/484531444.db2.gz IXHZXTYFHVYESU-GFCCVEGCSA-N 1 1 364.406 -0.292 20 5 FBBDMO Nc1nccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000594299321 484531347 /nfs/dbraw/zinc/53/13/47/484531347.db2.gz IXHZXTYFHVYESU-LBPRGKRZSA-N 1 1 364.406 -0.292 20 5 FBBDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000594314695 484524570 /nfs/dbraw/zinc/52/45/70/484524570.db2.gz HMYSJVLZMPGOFY-UHFFFAOYSA-N 1 1 350.379 -0.192 20 5 FBBDMO COc1ccc(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594316041 485260763 /nfs/dbraw/zinc/26/07/63/485260763.db2.gz QQTOYBBVFAQMCO-NWDGAFQWSA-N 1 1 364.358 -0.181 20 5 FBBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594316175 485261228 /nfs/dbraw/zinc/26/12/28/485261228.db2.gz FDBVPFMIKMUMQS-NWDGAFQWSA-N 1 1 364.358 -0.181 20 5 FBBDMO CS(=O)(=O)c1ccc(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594386185 485272635 /nfs/dbraw/zinc/27/26/35/485272635.db2.gz MTEVZKFTKCWQBH-WDEREUQCSA-N 1 1 369.399 -0.111 20 5 FBBDMO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594391619 485276669 /nfs/dbraw/zinc/27/66/69/485276669.db2.gz ATDBOBSDJRJUMR-LSDHHAIUSA-N 1 1 362.386 -0.008 20 5 FBBDMO Cc1cc(C(=O)NCC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594392454 485277411 /nfs/dbraw/zinc/27/74/11/485277411.db2.gz GTSIAYGQZCMDIK-UONOGXRCSA-N 1 1 362.386 -0.090 20 5 FBBDMO CS(=O)(=O)c1ccc(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594392526 485277485 /nfs/dbraw/zinc/27/74/85/485277485.db2.gz HJHMUJNRLHEXJS-NWDGAFQWSA-N 1 1 369.399 -0.111 20 5 FBBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393460 485277970 /nfs/dbraw/zinc/27/79/70/485277970.db2.gz NSAQJDJRYAJLQS-BYCMXARLSA-N 1 1 362.386 -0.010 20 5 FBBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393461 485277636 /nfs/dbraw/zinc/27/76/36/485277636.db2.gz NSAQJDJRYAJLQS-TUKIKUTGSA-N 1 1 362.386 -0.010 20 5 FBBDMO CS(=O)(=O)c1cc(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000594394218 485278091 /nfs/dbraw/zinc/27/80/91/485278091.db2.gz VJMOOCPNUBEBJM-QWHCGFSZSA-N 1 1 369.399 -0.111 20 5 FBBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594394223 485277883 /nfs/dbraw/zinc/27/78/83/485277883.db2.gz VLRXQGLPBAMSGT-WDEREUQCSA-N 1 1 374.353 -0.532 20 5 FBBDMO CNS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594604249 483918508 /nfs/dbraw/zinc/91/85/08/483918508.db2.gz VBXCIEJPVFJSRM-WDEREUQCSA-N 1 1 356.404 -0.242 20 5 FBBDMO Cc1c(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000594623756 483919930 /nfs/dbraw/zinc/91/99/30/483919930.db2.gz UQOYIMQNVUOFHL-UONOGXRCSA-N 1 1 362.386 -0.203 20 5 FBBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594753697 483937835 /nfs/dbraw/zinc/93/78/35/483937835.db2.gz WEEXHDMGNIAETA-LLVKDONJSA-N 1 1 371.419 -0.145 20 5 FBBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594753698 483937798 /nfs/dbraw/zinc/93/77/98/483937798.db2.gz WEEXHDMGNIAETA-NSHDSACASA-N 1 1 371.419 -0.145 20 5 FBBDMO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000594844916 483968747 /nfs/dbraw/zinc/96/87/47/483968747.db2.gz WAWXOOHPAWGAHY-UHFFFAOYSA-N 1 1 359.408 -0.370 20 5 FBBDMO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594844985 483968889 /nfs/dbraw/zinc/96/88/89/483968889.db2.gz WRBYBUBVHMPRFX-UHFFFAOYSA-N 1 1 359.408 -0.370 20 5 FBBDMO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000594845723 483969301 /nfs/dbraw/zinc/96/93/01/483969301.db2.gz ZJJCOVVMXUKQKE-UHFFFAOYSA-N 1 1 359.408 -0.370 20 5 FBBDMO O=C1C[NH2+]CCN1[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000595107908 484001657 /nfs/dbraw/zinc/00/16/57/484001657.db2.gz HRGKBJLTWKCFOR-GFCCVEGCSA-N 1 1 369.403 -0.425 20 5 FBBDMO O=C1C[NH2+]CCN1[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000595107910 484001123 /nfs/dbraw/zinc/00/11/23/484001123.db2.gz HRGKBJLTWKCFOR-LBPRGKRZSA-N 1 1 369.403 -0.425 20 5 FBBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CNC(=O)C1 ZINC000595547870 484069789 /nfs/dbraw/zinc/06/97/89/484069789.db2.gz XQQGCMYALZFTDJ-LLVKDONJSA-N 1 1 356.404 -0.059 20 5 FBBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CNC(=O)C1 ZINC000595547882 484070544 /nfs/dbraw/zinc/07/05/44/484070544.db2.gz XQQGCMYALZFTDJ-NSHDSACASA-N 1 1 356.404 -0.059 20 5 FBBDMO CNC(=O)C[NH+]1CCC(Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596073074 484138803 /nfs/dbraw/zinc/13/88/03/484138803.db2.gz DYZAJIFXQLZXSN-UHFFFAOYSA-N 1 1 371.419 -0.136 20 5 FBBDMO COC(=O)[C@@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000596273139 484175121 /nfs/dbraw/zinc/17/51/21/484175121.db2.gz NUWNXFAUNOODRF-JTQLQIEISA-N 1 1 372.403 -0.217 20 5 FBBDMO COC(=O)[C@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000596273140 484174217 /nfs/dbraw/zinc/17/42/17/484174217.db2.gz NUWNXFAUNOODRF-SNVBAGLBSA-N 1 1 372.403 -0.217 20 5 FBBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](O)C[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000596620320 484202496 /nfs/dbraw/zinc/20/24/96/484202496.db2.gz DQXNHPSILRRGEW-RNCFNFMXSA-N 1 1 352.347 -0.148 20 5 FBBDMO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000596620320 484202492 /nfs/dbraw/zinc/20/24/92/484202492.db2.gz DQXNHPSILRRGEW-RNCFNFMXSA-N 1 1 352.347 -0.148 20 5 FBBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000596622039 484202567 /nfs/dbraw/zinc/20/25/67/484202567.db2.gz TXYOVCFPPNVDFT-PWSUYJOCSA-N 1 1 352.347 -0.148 20 5 FBBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000596622039 484202563 /nfs/dbraw/zinc/20/25/63/484202563.db2.gz TXYOVCFPPNVDFT-PWSUYJOCSA-N 1 1 352.347 -0.148 20 5 FBBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000596622241 484200743 /nfs/dbraw/zinc/20/07/43/484200743.db2.gz XHSDAOOLBPPDPQ-PWSUYJOCSA-N 1 1 352.347 -0.148 20 5 FBBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000596622241 484200735 /nfs/dbraw/zinc/20/07/35/484200735.db2.gz XHSDAOOLBPPDPQ-PWSUYJOCSA-N 1 1 352.347 -0.148 20 5 FBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000598366748 484313498 /nfs/dbraw/zinc/31/34/98/484313498.db2.gz ACYWMACEMZCJIM-VXGBXAGGSA-N 1 1 350.379 -0.054 20 5 FBBDMO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CC[NH+](CCCO)CC1 ZINC000598591377 483474845 /nfs/dbraw/zinc/47/48/45/483474845.db2.gz AKWSBLOTKNGJAN-UHFFFAOYSA-N 1 1 352.395 -0.274 20 5 FBBDMO C[C@@H](O)C[NH+]1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598592869 483477022 /nfs/dbraw/zinc/47/70/22/483477022.db2.gz MKHPIUCKTYDAJV-GFCCVEGCSA-N 1 1 352.395 -0.276 20 5 FBBDMO C[C@H](O)C[NH+]1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598592870 483476655 /nfs/dbraw/zinc/47/66/55/483476655.db2.gz MKHPIUCKTYDAJV-LBPRGKRZSA-N 1 1 352.395 -0.276 20 5 FBBDMO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCC[N@H+](CCO)CC1 ZINC000598594898 483474971 /nfs/dbraw/zinc/47/49/71/483474971.db2.gz NQNNUARQSNAMPR-UHFFFAOYSA-N 1 1 352.395 -0.274 20 5 FBBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598595915 483476963 /nfs/dbraw/zinc/47/69/63/483476963.db2.gz LNJHCZQWBFLEQN-GFCCVEGCSA-N 1 1 351.411 -0.121 20 5 FBBDMO CN1CC[N@H+](C)C[C@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598595915 483476960 /nfs/dbraw/zinc/47/69/60/483476960.db2.gz LNJHCZQWBFLEQN-GFCCVEGCSA-N 1 1 351.411 -0.121 20 5 FBBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598595916 483476450 /nfs/dbraw/zinc/47/64/50/483476450.db2.gz LNJHCZQWBFLEQN-LBPRGKRZSA-N 1 1 351.411 -0.121 20 5 FBBDMO CN1CC[N@H+](C)C[C@@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598595916 483476443 /nfs/dbraw/zinc/47/64/43/483476443.db2.gz LNJHCZQWBFLEQN-LBPRGKRZSA-N 1 1 351.411 -0.121 20 5 FBBDMO C[C@@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC[N@H+]1CCO ZINC000598617673 483499978 /nfs/dbraw/zinc/49/99/78/483499978.db2.gz UZZQRYGKSSUMDS-GFCCVEGCSA-N 1 1 352.395 -0.276 20 5 FBBDMO C[C@@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000598617673 483499974 /nfs/dbraw/zinc/49/99/74/483499974.db2.gz UZZQRYGKSSUMDS-GFCCVEGCSA-N 1 1 352.395 -0.276 20 5 FBBDMO C[C@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC[N@H+]1CCO ZINC000598617675 483499304 /nfs/dbraw/zinc/49/93/04/483499304.db2.gz UZZQRYGKSSUMDS-LBPRGKRZSA-N 1 1 352.395 -0.276 20 5 FBBDMO C[C@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000598617675 483499299 /nfs/dbraw/zinc/49/92/99/483499299.db2.gz UZZQRYGKSSUMDS-LBPRGKRZSA-N 1 1 352.395 -0.276 20 5 FBBDMO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000598619756 483500476 /nfs/dbraw/zinc/50/04/76/483500476.db2.gz OZJIAPAUJVVTSB-GFCCVEGCSA-N 1 1 350.379 -0.258 20 5 FBBDMO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000598619756 483500469 /nfs/dbraw/zinc/50/04/69/483500469.db2.gz OZJIAPAUJVVTSB-GFCCVEGCSA-N 1 1 350.379 -0.258 20 5 FBBDMO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000598619758 483501036 /nfs/dbraw/zinc/50/10/36/483501036.db2.gz OZJIAPAUJVVTSB-LBPRGKRZSA-N 1 1 350.379 -0.258 20 5 FBBDMO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000598619758 483501032 /nfs/dbraw/zinc/50/10/32/483501032.db2.gz OZJIAPAUJVVTSB-LBPRGKRZSA-N 1 1 350.379 -0.258 20 5 FBBDMO O=[N+]([O-])c1c(N2CC(C[NH+]3CCOCC3)C2)ncnc1N1CCOCC1 ZINC000598627041 483505312 /nfs/dbraw/zinc/50/53/12/483505312.db2.gz FYTWBDIIPDGGSB-UHFFFAOYSA-N 1 1 364.406 -0.010 20 5 FBBDMO O=[N+]([O-])c1c(N2CC([N@H+]3CC[C@@H](O)C3)C2)ncnc1N1CCOCC1 ZINC000598629943 483508307 /nfs/dbraw/zinc/50/83/07/483508307.db2.gz DXNYDUQTEAVYHU-GFCCVEGCSA-N 1 1 350.379 -0.523 20 5 FBBDMO O=[N+]([O-])c1c(N2CC([N@@H+]3CC[C@@H](O)C3)C2)ncnc1N1CCOCC1 ZINC000598629943 483508305 /nfs/dbraw/zinc/50/83/05/483508305.db2.gz DXNYDUQTEAVYHU-GFCCVEGCSA-N 1 1 350.379 -0.523 20 5 FBBDMO O=C(NCC(=O)N1CC[NH+](CCO)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000598893949 483531220 /nfs/dbraw/zinc/53/12/20/483531220.db2.gz HDGFSQJPSKUAQV-UHFFFAOYSA-N 1 1 351.363 -0.147 20 5 FBBDMO C[N@H+]1CC[C@](O)(CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598902789 483532591 /nfs/dbraw/zinc/53/25/91/483532591.db2.gz RMAVNDSLSNRBLO-HNNXBMFYSA-N 1 1 351.363 -0.101 20 5 FBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598902798 483532520 /nfs/dbraw/zinc/53/25/20/483532520.db2.gz RMAVNDSLSNRBLO-OAHLLOKOSA-N 1 1 351.363 -0.101 20 5 FBBDMO O=C(NCC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000598905216 483532420 /nfs/dbraw/zinc/53/24/20/483532420.db2.gz CXTUQSVYPFCNCJ-CQSZACIVSA-N 1 1 363.374 -0.006 20 5 FBBDMO O=C(NCC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000598905216 483532415 /nfs/dbraw/zinc/53/24/15/483532415.db2.gz CXTUQSVYPFCNCJ-CQSZACIVSA-N 1 1 363.374 -0.006 20 5 FBBDMO O=C(NCC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)Nc1cccc([N+](=O)[O-])c1 ZINC000598908308 483531843 /nfs/dbraw/zinc/53/18/43/483531843.db2.gz HADPFZUILBQYEV-UONOGXRCSA-N 1 1 363.374 -0.006 20 5 FBBDMO Nc1nc(N)[nH+]c(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)n1 ZINC000599019489 483536916 /nfs/dbraw/zinc/53/69/16/483536916.db2.gz MUIJPVHQDYPPOQ-UHFFFAOYSA-N 1 1 350.364 -0.371 20 5 FBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCC(N3CC[NH2+]CC3)CC2)n1 ZINC000599099600 483534489 /nfs/dbraw/zinc/53/44/89/483534489.db2.gz GGGRPJYECQDKEO-UHFFFAOYSA-N 1 1 372.451 -0.177 20 5 FBBDMO C[NH+]1CCN(CC2CN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000599104688 483534513 /nfs/dbraw/zinc/53/45/13/483534513.db2.gz GAIQXZDGPZVNDD-UHFFFAOYSA-N 1 1 369.447 -0.074 20 5 FBBDMO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000599108776 660109683 /nfs/dbraw/zinc/10/96/83/660109683.db2.gz VRRANWULQPHLBF-SECBINFHSA-N 1 1 359.360 -0.352 20 5 FBBDMO COC(=O)c1ccc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000599108909 660109685 /nfs/dbraw/zinc/10/96/85/660109685.db2.gz VRRANWULQPHLBF-VIFPVBQESA-N 1 1 359.360 -0.352 20 5 FBBDMO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NC[C@@H]1COCC[NH2+]1)OCCO2 ZINC000599108913 483537485 /nfs/dbraw/zinc/53/74/85/483537485.db2.gz VSRDMHLWYSJPGV-SECBINFHSA-N 1 1 359.360 -0.367 20 5 FBBDMO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NC[C@H]1COCC[NH2+]1)OCCO2 ZINC000599108914 483537464 /nfs/dbraw/zinc/53/74/64/483537464.db2.gz VSRDMHLWYSJPGV-VIFPVBQESA-N 1 1 359.360 -0.367 20 5 FBBDMO COC(=O)c1ccnc(NCCC[N@H+]2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000599130501 483537326 /nfs/dbraw/zinc/53/73/26/483537326.db2.gz AIRLZYBDNDXFJT-NSHDSACASA-N 1 1 351.363 0.528 20 5 FBBDMO COC(=O)CNC(=O)c1ccc(NCC[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599175667 483538824 /nfs/dbraw/zinc/53/88/24/483538824.db2.gz HBVDJRBESFVCJK-GFCCVEGCSA-N 1 1 366.374 -0.024 20 5 FBBDMO COC(=O)CNC(=O)c1ccc(NCC[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599199206 483538598 /nfs/dbraw/zinc/53/85/98/483538598.db2.gz HBVDJRBESFVCJK-LBPRGKRZSA-N 1 1 366.374 -0.024 20 5 FBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000599229312 483542357 /nfs/dbraw/zinc/54/23/57/483542357.db2.gz AWPXBNVPRULYHT-JTQLQIEISA-N 1 1 374.423 -0.806 20 5 FBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000599229322 483541966 /nfs/dbraw/zinc/54/19/66/483541966.db2.gz AWPXBNVPRULYHT-SNVBAGLBSA-N 1 1 374.423 -0.806 20 5 FBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000599236311 483541803 /nfs/dbraw/zinc/54/18/03/483541803.db2.gz FEYXNXRANGIYBN-GFCCVEGCSA-N 1 1 372.451 -0.271 20 5 FBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000599236320 483542581 /nfs/dbraw/zinc/54/25/81/483542581.db2.gz FEYXNXRANGIYBN-LBPRGKRZSA-N 1 1 372.451 -0.271 20 5 FBBDMO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599242586 483544176 /nfs/dbraw/zinc/54/41/76/483544176.db2.gz OUSTZYKHSPHUAJ-GFCCVEGCSA-N 1 1 374.467 -0.120 20 5 FBBDMO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599242593 483543375 /nfs/dbraw/zinc/54/33/75/483543375.db2.gz OUSTZYKHSPHUAJ-LBPRGKRZSA-N 1 1 374.467 -0.120 20 5 FBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC000599244904 483544073 /nfs/dbraw/zinc/54/40/73/483544073.db2.gz MWGXXJZZDIFLKE-LLVKDONJSA-N 1 1 361.424 -0.157 20 5 FBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC000599244904 483544070 /nfs/dbraw/zinc/54/40/70/483544070.db2.gz MWGXXJZZDIFLKE-LLVKDONJSA-N 1 1 361.424 -0.157 20 5 FBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCC[N@H+]2CCC[C@H]2CO)n1 ZINC000599244907 483544152 /nfs/dbraw/zinc/54/41/52/483544152.db2.gz MWGXXJZZDIFLKE-NSHDSACASA-N 1 1 361.424 -0.157 20 5 FBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)n1 ZINC000599244907 483544151 /nfs/dbraw/zinc/54/41/51/483544151.db2.gz MWGXXJZZDIFLKE-NSHDSACASA-N 1 1 361.424 -0.157 20 5 FBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCN2CCC([NH+](C)C)CC2)n1 ZINC000599250648 483543760 /nfs/dbraw/zinc/54/37/60/483543760.db2.gz QPJJKEDKRXZBGK-UHFFFAOYSA-N 1 1 360.440 -0.367 20 5 FBBDMO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599258265 483543226 /nfs/dbraw/zinc/54/32/26/483543226.db2.gz VZKODHHZPGLYBW-UHFFFAOYSA-N 1 1 361.424 -0.158 20 5 FBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3[nH+]ccn3C)CC2)n1 ZINC000599265616 483543909 /nfs/dbraw/zinc/54/39/09/483543909.db2.gz GTRFBSXDGMQGDY-UHFFFAOYSA-N 1 1 355.380 -0.427 20 5 FBBDMO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599282529 483545317 /nfs/dbraw/zinc/54/53/17/483545317.db2.gz RNUQBFLMGLJVMN-LLVKDONJSA-N 1 1 360.440 -0.367 20 5 FBBDMO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599282530 483544946 /nfs/dbraw/zinc/54/49/46/483544946.db2.gz RNUQBFLMGLJVMN-NSHDSACASA-N 1 1 360.440 -0.367 20 5 FBBDMO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599288105 483545327 /nfs/dbraw/zinc/54/53/27/483545327.db2.gz QXGALGFEDAPZJR-LLVKDONJSA-N 1 1 360.440 -0.367 20 5 FBBDMO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599288106 483544906 /nfs/dbraw/zinc/54/49/06/483544906.db2.gz QXGALGFEDAPZJR-NSHDSACASA-N 1 1 360.440 -0.367 20 5 FBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000599297458 483545186 /nfs/dbraw/zinc/54/51/86/483545186.db2.gz ICACLOPBOVVFDU-UHFFFAOYSA-N 1 1 360.440 -0.367 20 5 FBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC000599297458 483545183 /nfs/dbraw/zinc/54/51/83/483545183.db2.gz ICACLOPBOVVFDU-UHFFFAOYSA-N 1 1 360.440 -0.367 20 5 FBBDMO CN(CCCN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])CC[NH+](C)C ZINC000599315078 483546822 /nfs/dbraw/zinc/54/68/22/483546822.db2.gz INFZZDWHAUWCIK-UHFFFAOYSA-N 1 1 362.456 -0.168 20 5 FBBDMO CN(C)CC[N@@H+](C)CCCN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599315078 483546819 /nfs/dbraw/zinc/54/68/19/483546819.db2.gz INFZZDWHAUWCIK-UHFFFAOYSA-N 1 1 362.456 -0.168 20 5 FBBDMO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])[C@H]2C1 ZINC000599318278 483546603 /nfs/dbraw/zinc/54/66/03/483546603.db2.gz RYEMBENGAMKYEO-CMPLNLGQSA-N 1 1 359.408 -0.188 20 5 FBBDMO CC[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])[C@H]2C1 ZINC000599318278 483546599 /nfs/dbraw/zinc/54/65/99/483546599.db2.gz RYEMBENGAMKYEO-CMPLNLGQSA-N 1 1 359.408 -0.188 20 5 FBBDMO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599339465 483541881 /nfs/dbraw/zinc/54/18/81/483541881.db2.gz PPOHGMVGCBPUQU-NSHDSACASA-N 1 1 362.456 -0.121 20 5 FBBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599691331 483551866 /nfs/dbraw/zinc/55/18/66/483551866.db2.gz FBJHPFLGSITENA-AAEUAGOBSA-N 1 1 361.424 -0.587 20 5 FBBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599691332 483551974 /nfs/dbraw/zinc/55/19/74/483551974.db2.gz FBJHPFLGSITENA-DGCLKSJQSA-N 1 1 361.424 -0.587 20 5 FBBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599691333 483551840 /nfs/dbraw/zinc/55/18/40/483551840.db2.gz FBJHPFLGSITENA-WCQYABFASA-N 1 1 361.424 -0.587 20 5 FBBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599691334 483552029 /nfs/dbraw/zinc/55/20/29/483552029.db2.gz FBJHPFLGSITENA-YPMHNXCESA-N 1 1 361.424 -0.587 20 5 FBBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600070060 484916226 /nfs/dbraw/zinc/91/62/26/484916226.db2.gz CWCSDDCDVKZEFO-LLVKDONJSA-N 1 1 352.347 -0.275 20 5 FBBDMO COc1ccc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600070189 483826925 /nfs/dbraw/zinc/82/69/25/483826925.db2.gz GNTGNLKOBVGUNT-LLVKDONJSA-N 1 1 352.347 -0.275 20 5 FBBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000600097689 484917834 /nfs/dbraw/zinc/91/78/34/484917834.db2.gz CWCSDDCDVKZEFO-NSHDSACASA-N 1 1 352.347 -0.275 20 5 FBBDMO COc1ccc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000600097784 484918144 /nfs/dbraw/zinc/91/81/44/484918144.db2.gz GNTGNLKOBVGUNT-NSHDSACASA-N 1 1 352.347 -0.275 20 5 FBBDMO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600526255 483785805 /nfs/dbraw/zinc/78/58/05/483785805.db2.gz GRALSRCZKWDAPK-SNVBAGLBSA-N 1 1 362.342 -0.626 20 5 FBBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600526481 484939330 /nfs/dbraw/zinc/93/93/30/484939330.db2.gz JRVYRHKGJNPNBW-BXUZGUMPSA-N 1 1 350.375 -0.104 20 5 FBBDMO NC(=O)c1ccc(SCC(=O)NCC[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000600528290 484939489 /nfs/dbraw/zinc/93/94/89/484939489.db2.gz QZDVCWRBJFUEJZ-LLVKDONJSA-N 1 1 368.415 -0.031 20 5 FBBDMO Cc1cc(C(=O)NCC(=O)NCC[N@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000600529719 484939852 /nfs/dbraw/zinc/93/98/52/484939852.db2.gz YNFNMFWQUPYUDZ-CYBMUJFWSA-N 1 1 350.375 -0.184 20 5 FBBDMO COc1ccc(C(=O)NCC(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600529721 484940018 /nfs/dbraw/zinc/94/00/18/484940018.db2.gz YNICSRIBSDPQQQ-GFCCVEGCSA-N 1 1 366.374 -0.484 20 5 FBBDMO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600529752 484940052 /nfs/dbraw/zinc/94/00/52/484940052.db2.gz ZJLSEYJXGGGHCT-CQSZACIVSA-N 1 1 350.375 -0.103 20 5 FBBDMO Cc1c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000600531322 484939978 /nfs/dbraw/zinc/93/99/78/484939978.db2.gz HNJJSEBNDQWMFN-SNVBAGLBSA-N 1 1 372.403 -0.653 20 5 FBBDMO NS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600531521 483785984 /nfs/dbraw/zinc/78/59/84/483785984.db2.gz GHVGOIFVNBAEKJ-SNVBAGLBSA-N 1 1 358.376 -0.961 20 5 FBBDMO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600531566 484939351 /nfs/dbraw/zinc/93/93/51/484939351.db2.gz GTGATLWKLXMKFF-CYBMUJFWSA-N 1 1 351.363 -0.101 20 5 FBBDMO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600532965 484939455 /nfs/dbraw/zinc/93/94/55/484939455.db2.gz JVCYUTXRBMBSFG-CQSZACIVSA-N 1 1 365.390 -0.423 20 5 FBBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000600534573 484939556 /nfs/dbraw/zinc/93/95/56/484939556.db2.gz OCPOODRMHMDODT-NEPJUHHUSA-N 1 1 366.374 -0.025 20 5 FBBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000600534575 484939702 /nfs/dbraw/zinc/93/97/02/484939702.db2.gz OCPOODRMHMDODT-VXGBXAGGSA-N 1 1 366.374 -0.025 20 5 FBBDMO 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NC(=O)C[NH+]1CCC(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000758837051 660691626 /nfs/dbraw/zinc/69/16/26/660691626.db2.gz KYIISUZVQVKRKR-UHFFFAOYSA-N 1 1 357.392 -0.396 20 5 FBBDMO C[NH+]1CCN(C(=O)CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000758864946 660691796 /nfs/dbraw/zinc/69/17/96/660691796.db2.gz JFAWQYZEVBVVMS-UHFFFAOYSA-N 1 1 357.392 -0.572 20 5 FBBDMO CCNS(=O)(=O)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000819042857 661065686 /nfs/dbraw/zinc/06/56/86/661065686.db2.gz MYXAKABCEARWHR-UHFFFAOYSA-N 1 1 365.433 -0.103 20 5 FBBDMO NC(=O)C1=NO[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819250798 661066949 /nfs/dbraw/zinc/06/69/49/661066949.db2.gz DRSYMVKQBHWILT-JTQLQIEISA-N 1 1 356.360 -0.412 20 5 FBBDMO NC(=O)C1=NO[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819250799 661067034 /nfs/dbraw/zinc/06/70/34/661067034.db2.gz DRSYMVKQBHWILT-SNVBAGLBSA-N 1 1 356.360 -0.412 20 5 FBBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 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/nfs/dbraw/zinc/03/47/84/608034784.db2.gz KUCQNLXIUWDKMU-UHFFFAOYSA-N 1 1 361.370 -0.159 20 5 FBBDMO C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CCn1ccc([N+](=O)[O-])n1 ZINC000825935104 608035726 /nfs/dbraw/zinc/03/57/26/608035726.db2.gz UUJPLEZXIXNRJW-UHFFFAOYSA-N 1 1 361.370 -0.159 20 5 FBBDMO C[NH+]1CCN(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3S2(=O)=O)CC1 ZINC000830079569 661137965 /nfs/dbraw/zinc/13/79/65/661137965.db2.gz WRCXGHCPMRWCMM-UHFFFAOYSA-N 1 1 368.371 -0.487 20 5 FBBDMO Nc1ccc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000842513666 661189628 /nfs/dbraw/zinc/18/96/28/661189628.db2.gz PEUMXGQRJLXXDW-UHFFFAOYSA-N 1 1 369.403 -0.764 20 5 FBBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000843501324 661204506 /nfs/dbraw/zinc/20/45/06/661204506.db2.gz LIXYBVKWTCPKIG-UHFFFAOYSA-N 1 1 369.403 -0.764 20 5 FBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(c3cc(F)ncn3)CC2)c1 ZINC000852131036 661304899 /nfs/dbraw/zinc/30/48/99/661304899.db2.gz NXIOCNZAVWXXJE-GFCCVEGCSA-N 1 1 351.342 -0.097 20 5 FBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(c3cc(F)ncn3)CC2)c1 ZINC000852131038 661304970 /nfs/dbraw/zinc/30/49/70/661304970.db2.gz NXIOCNZAVWXXJE-LBPRGKRZSA-N 1 1 351.342 -0.097 20 5 FBBDMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000915354530 660151228 /nfs/dbraw/zinc/15/12/28/660151228.db2.gz GZPVEMRJPKZKBQ-UHFFFAOYSA-N 1 1 356.404 -0.011 20 5 FBBDMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000915354622 660151222 /nfs/dbraw/zinc/15/12/22/660151222.db2.gz OQUQUNNYAKVVQI-UHFFFAOYSA-N 1 1 356.404 -0.011 20 5 FBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(C2C[NH+](CC3CCOCC3)C2)CC1 ZINC000941406847 660263686 /nfs/dbraw/zinc/26/36/86/660263686.db2.gz GTSKISOQAVCXMF-HZPDHXFCSA-N 1 1 352.435 -0.093 20 5 FBBDMO CS(=O)(=O)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589346 660468783 /nfs/dbraw/zinc/46/87/83/660468783.db2.gz UFLIYHLMFCZFFK-XJFOESAGSA-N 1 1 359.448 -0.133 20 5 FBBDMO CS(=O)(=O)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589346 660468781 /nfs/dbraw/zinc/46/87/81/660468781.db2.gz UFLIYHLMFCZFFK-XJFOESAGSA-N 1 1 359.448 -0.133 20 5 FBBDMO 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 660468780 /nfs/dbraw/zinc/46/87/80/660468780.db2.gz UFLIYHLMFCZFFK-XJFOESAGSA-N 1 1 359.448 -0.133 20 5 FBBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000954239825 661794842 /nfs/dbraw/zinc/79/48/42/661794842.db2.gz QVWZYJIIHQWXFL-ZIAGYGMSSA-N 1 1 354.407 -0.568 20 5 FBBDMO C[NH+]1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@@H]3C2)CC1 ZINC000961549360 661910546 /nfs/dbraw/zinc/91/05/46/661910546.db2.gz WMXKGWKZLOCRPG-LXTVHRRPSA-N 1 1 350.419 -0.090 20 5 FBBDMO O=C(NC1CC2(C1)CC([NH2+]CCN1CCNC1=O)C2)[C@@H]1CC1[N+](=O)[O-] ZINC000963790657 661983875 /nfs/dbraw/zinc/98/38/75/661983875.db2.gz KKGHCYFABGCKCK-FIRKGOOJSA-N 1 1 351.407 -0.306 20 5 FBBDMO O=C(C[NH+]1CCCC1)N1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC000965380260 662011931 /nfs/dbraw/zinc/01/19/31/662011931.db2.gz IMXVXGSWOJIEAI-CHWSQXEVSA-N 1 1 352.391 -0.813 20 5 FBBDMO O=C(C[NH+]1CCCC1)N1CCOC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000965388672 662012057 /nfs/dbraw/zinc/01/20/57/662012057.db2.gz RFXKAUUBCMAGCM-CHWSQXEVSA-N 1 1 352.391 -0.813 20 5 FBBDMO CC1CC[NH+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000976484465 658773591 /nfs/dbraw/zinc/77/35/91/658773591.db2.gz QVUVWFYOBZLPFB-SSZWKKLZSA-N 1 1 350.419 -0.044 20 5 FBBDMO C[NH+]1CCC(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000976493148 658773777 /nfs/dbraw/zinc/77/37/77/658773777.db2.gz MROGHEOLIXOCMJ-SSZWKKLZSA-N 1 1 350.419 -0.044 20 5 FBBDMO C[NH+]1CCC(CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]32)CC1 ZINC000976493620 658773831 /nfs/dbraw/zinc/77/38/31/658773831.db2.gz AYUHZSKNMDGYSY-SSZWKKLZSA-N 1 1 350.419 -0.044 20 5 FBBDMO CC1(C)CC[N@@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000976497225 658773690 /nfs/dbraw/zinc/77/36/90/658773690.db2.gz XYVUHEWUQBBTJV-VVSAWPALSA-N 1 1 350.419 -0.044 20 5 FBBDMO CC1(C)CC[N@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000976497225 658773685 /nfs/dbraw/zinc/77/36/85/658773685.db2.gz XYVUHEWUQBBTJV-VVSAWPALSA-N 1 1 350.419 -0.044 20 5 FBBDMO 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 658773681 /nfs/dbraw/zinc/77/36/81/658773681.db2.gz XYVUHEWUQBBTJV-VVSAWPALSA-N 1 1 350.419 -0.044 20 5 FBBDMO CC1CC[NH+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]32)CC1 ZINC000977049802 658795574 /nfs/dbraw/zinc/79/55/74/658795574.db2.gz HFLYRAWQIFNTTB-SSZWKKLZSA-N 1 1 350.419 -0.044 20 5 FBBDMO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]32)C1 ZINC000977199750 658798530 /nfs/dbraw/zinc/79/85/30/658798530.db2.gz RSXQTVAYQPOBJU-VVSAWPALSA-N 1 1 350.419 -0.044 20 5 FBBDMO CC1(C)CC[N@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]32)C1 ZINC000977199750 658798524 /nfs/dbraw/zinc/79/85/24/658798524.db2.gz RSXQTVAYQPOBJU-VVSAWPALSA-N 1 1 350.419 -0.044 20 5 FBBDMO 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 658798520 /nfs/dbraw/zinc/79/85/20/658798520.db2.gz RSXQTVAYQPOBJU-VVSAWPALSA-N 1 1 350.419 -0.044 20 5 FBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CCCN2C(=O)CNC2=O)CC1 ZINC000981137979 658867981 /nfs/dbraw/zinc/86/79/81/658867981.db2.gz JECVKSBVIATDPV-VXGBXAGGSA-N 1 1 353.379 -0.872 20 5 FBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CCCN2C(=O)CNC2=O)CC1 ZINC000981137979 658867972 /nfs/dbraw/zinc/86/79/72/658867972.db2.gz JECVKSBVIATDPV-VXGBXAGGSA-N 1 1 353.379 -0.872 20 5 FBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CCCN2C(=O)CNC2=O)CC1 ZINC000981137979 658867958 /nfs/dbraw/zinc/86/79/58/658867958.db2.gz JECVKSBVIATDPV-VXGBXAGGSA-N 1 1 353.379 -0.872 20 5 FBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](CCN1CCNC1=O)C2 ZINC000981764738 658891593 /nfs/dbraw/zinc/89/15/93/658891593.db2.gz AYCXHMGQLFISSM-CHWSQXEVSA-N 1 1 351.407 -0.399 20 5 FBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CCN1CCNC1=O)C2 ZINC000981764738 658891590 /nfs/dbraw/zinc/89/15/90/658891590.db2.gz AYCXHMGQLFISSM-CHWSQXEVSA-N 1 1 351.407 -0.399 20 5 FBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](CCN1CCNC1=O)C2 ZINC000981764738 658891586 /nfs/dbraw/zinc/89/15/86/658891586.db2.gz AYCXHMGQLFISSM-CHWSQXEVSA-N 1 1 351.407 -0.399 20 5 FBBDMO O=C(N[C@H]1C[C@H](C[NH2+]CC2CCS(=O)(=O)CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983653638 658983989 /nfs/dbraw/zinc/98/39/89/658983989.db2.gz KRVRBZYTWMCZIK-AAVRWANBSA-N 1 1 359.448 -0.039 20 5 FBBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2nnc3n2CCOC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983655692 658983966 /nfs/dbraw/zinc/98/39/66/658983966.db2.gz URGXNCIKHFYBHY-DDHJBXDOSA-N 1 1 350.379 -0.542 20 5 FBBDMO C[N@@H+](CC(=O)N1CCOCC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430738 659881130 /nfs/dbraw/zinc/88/11/30/659881130.db2.gz IPNUYKMWOHXHGO-ZIAGYGMSSA-N 1 1 354.407 -0.567 20 5 FBBDMO C[N@H+](CC(=O)N1CCOCC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430738 659881125 /nfs/dbraw/zinc/88/11/25/659881125.db2.gz IPNUYKMWOHXHGO-ZIAGYGMSSA-N 1 1 354.407 -0.567 20 5 FBBDMO C[N@@H+](CC(=O)N1CCOCC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430738 659881122 /nfs/dbraw/zinc/88/11/22/659881122.db2.gz IPNUYKMWOHXHGO-ZIAGYGMSSA-N 1 1 354.407 -0.567 20 5 FBBDMO C[N@@H+](CCN1C(=O)CNC1=O)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430818 659881037 /nfs/dbraw/zinc/88/10/37/659881037.db2.gz CVRFPMIIJIRJRO-VXGBXAGGSA-N 1 1 353.379 -0.874 20 5 FBBDMO C[N@H+](CCN1C(=O)CNC1=O)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430818 659881034 /nfs/dbraw/zinc/88/10/34/659881034.db2.gz CVRFPMIIJIRJRO-VXGBXAGGSA-N 1 1 353.379 -0.874 20 5 FBBDMO C[N@@H+](CCN1C(=O)CNC1=O)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430818 659881030 /nfs/dbraw/zinc/88/10/30/659881030.db2.gz CVRFPMIIJIRJRO-VXGBXAGGSA-N 1 1 353.379 -0.874 20 5 FBBDMO C[N@@H+](CCN1C(=O)CCC1=O)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985434235 659880897 /nfs/dbraw/zinc/88/08/97/659880897.db2.gz RKDBJQQABPAJIQ-CHWSQXEVSA-N 1 1 352.391 -0.277 20 5 FBBDMO C[N@H+](CCN1C(=O)CCC1=O)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985434235 659880895 /nfs/dbraw/zinc/88/08/95/659880895.db2.gz RKDBJQQABPAJIQ-CHWSQXEVSA-N 1 1 352.391 -0.277 20 5 FBBDMO C[N@@H+](CCN1C(=O)CCC1=O)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985434235 659880890 /nfs/dbraw/zinc/88/08/90/659880890.db2.gz RKDBJQQABPAJIQ-CHWSQXEVSA-N 1 1 352.391 -0.277 20 5 FBBDMO CC(C)(C[NH+]1CCOCC1)C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991286750 660052069 /nfs/dbraw/zinc/05/20/69/660052069.db2.gz GFAIXQZFJMPERR-CHWSQXEVSA-N 1 1 354.407 -0.663 20 5 FBBDMO C[NH+](C)CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC000991291177 660054480 /nfs/dbraw/zinc/05/44/80/660054480.db2.gz RUAFHVJWUPXFPS-CHWSQXEVSA-N 1 1 350.379 -0.950 20 5 FBBDMO C[NH+](C)CCn1ccc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000991291195 660054556 /nfs/dbraw/zinc/05/45/56/660054556.db2.gz SCCWSTAUKLMKNQ-DGCLKSJQSA-N 1 1 350.379 -0.950 20 5 FBBDMO C[NH+](C)CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC000992014445 660112987 /nfs/dbraw/zinc/11/29/87/660112987.db2.gz CSQOAUFKHHNSKP-CHWSQXEVSA-N 1 1 350.379 -0.950 20 5 FBBDMO C[NH+](C)CCn1ccc(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000992059946 660113767 /nfs/dbraw/zinc/11/37/67/660113767.db2.gz KPFJEERKAKAINI-DGCLKSJQSA-N 1 1 350.379 -0.950 20 5 FBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CCN2CCCS2(=O)=O)CC1 ZINC000996428378 660361390 /nfs/dbraw/zinc/36/13/90/660361390.db2.gz ABWUENLBYRAXCC-CHWSQXEVSA-N 1 1 360.436 -0.732 20 5 FBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2nnc3n2CCOC3)CC1 ZINC000996428465 660361414 /nfs/dbraw/zinc/36/14/14/660361414.db2.gz FMTSNRYLQJVHHM-VXGBXAGGSA-N 1 1 350.379 -0.446 20 5 FBBDMO O=C(NCC1=CC[N@@H+](CCN2C(=O)CCC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000675863 662393856 /nfs/dbraw/zinc/39/38/56/662393856.db2.gz XHQJEWFJCNVOMS-CHWSQXEVSA-N 1 1 350.375 -0.451 20 5 FBBDMO O=C(NCC1=CC[N@H+](CCN2C(=O)CCC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000675863 662393854 /nfs/dbraw/zinc/39/38/54/662393854.db2.gz XHQJEWFJCNVOMS-CHWSQXEVSA-N 1 1 350.375 -0.451 20 5 FBBDMO O=C(NCC1=CC[N@@H+](CCN2C(=O)CCC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000675863 662393850 /nfs/dbraw/zinc/39/38/50/662393850.db2.gz XHQJEWFJCNVOMS-CHWSQXEVSA-N 1 1 350.375 -0.451 20 5 FBBDMO O=C(NCC1CC[NH+](CCN2C(=O)CCC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001398326 662399301 /nfs/dbraw/zinc/39/93/01/662399301.db2.gz BXUKRJCRCWVJSR-CHWSQXEVSA-N 1 1 352.391 -0.371 20 5 FBBDMO O=C(NCC1CC[NH+](CCN2C(=O)CNC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001399234 662399202 /nfs/dbraw/zinc/39/92/02/662399202.db2.gz KAQLMXCCVXFLEV-VXGBXAGGSA-N 1 1 353.379 -0.968 20 5 FBBDMO C[NH+]1CCC(OCC(=O)N2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001001811312 660432441 /nfs/dbraw/zinc/43/24/41/660432441.db2.gz ZTPILCILJWDPOX-ZIAGYGMSSA-N 1 1 354.407 -0.663 20 5 FBBDMO O=C(NC1CC[NH+](CCCN2C(=O)CNC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002789039 660446094 /nfs/dbraw/zinc/44/60/94/660446094.db2.gz RFQCABJHJRRGPC-VXGBXAGGSA-N 1 1 353.379 -0.826 20 5 FBBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC001005382260 660492997 /nfs/dbraw/zinc/49/29/97/660492997.db2.gz OYZCXWVJGGAADL-CHWSQXEVSA-N 1 1 352.391 -0.277 20 5 FBBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001005383019 660493022 /nfs/dbraw/zinc/49/30/22/660493022.db2.gz SYSLDHLDMHTQJH-VXGBXAGGSA-N 1 1 353.379 -0.874 20 5 FBBDMO C[NH+]1CCC(OCC(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001011114294 662136043 /nfs/dbraw/zinc/13/60/43/662136043.db2.gz CZWWQSJIPRAISO-ZIAGYGMSSA-N 1 1 354.407 -0.567 20 5 FBBDMO CC(C)(C)n1nnc(CC[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001020139629 662156432 /nfs/dbraw/zinc/15/64/32/662156432.db2.gz IOCRYCDBLCKIMQ-DDHJBXDOSA-N 1 1 351.411 -0.127 20 5 FBBDMO CC1(C)NC(=O)N(CC[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1=O ZINC001020140589 662156443 /nfs/dbraw/zinc/15/64/43/662156443.db2.gz OZGIQVDKUZJQCJ-GWOFURMSSA-N 1 1 353.379 -0.781 20 5 FBBDMO CC(C)(C)n1nnc(CC[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001022063714 657432643 /nfs/dbraw/zinc/43/26/43/657432643.db2.gz IOCRYCDBLCKIMQ-WRWGMCAJSA-N 1 1 351.411 -0.127 20 5 FBBDMO CC1(C)NC(=O)N(CC[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1=O ZINC001022064848 657433502 /nfs/dbraw/zinc/43/35/02/657433502.db2.gz OZGIQVDKUZJQCJ-LMLFDSFASA-N 1 1 353.379 -0.781 20 5 FBBDMO CC1CCN(C(=O)C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001025775214 658633924 /nfs/dbraw/zinc/63/39/24/658633924.db2.gz DXOAOGMHAYTODQ-SSZWKKLZSA-N 1 1 350.419 -0.044 20 5 FBBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776009 658633969 /nfs/dbraw/zinc/63/39/69/658633969.db2.gz UAAGUWVGGZMPOE-RGDJUOJXSA-N 1 1 357.432 -0.477 20 5 FBBDMO Cc1csc(=O)n1CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025778561 658631842 /nfs/dbraw/zinc/63/18/42/658631842.db2.gz UVYCRUXIOSJIDS-LBELIVKGSA-N 1 1 352.416 -0.070 20 5 FBBDMO O=C(C[NH2+][C@@H]1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCOCC1 ZINC001034642434 660499357 /nfs/dbraw/zinc/49/93/57/660499357.db2.gz CMYQTDIHWIYGPJ-AAVRWANBSA-N 1 1 354.407 -0.473 20 5 FBBDMO O=C(N[C@H]1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034644889 660499388 /nfs/dbraw/zinc/49/93/88/660499388.db2.gz NAPPRJYKDRLHEK-FDYHWXHSSA-N 1 1 352.391 -0.182 20 5 FBBDMO O=C(N[C@H]1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034645779 660499525 /nfs/dbraw/zinc/49/95/25/660499525.db2.gz VLQMAWYPMOQOCQ-DDHJBXDOSA-N 1 1 353.379 -0.780 20 5 FBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(C[NH+](CCN3CCNC3=O)C2)CC1 ZINC001035704593 660508229 /nfs/dbraw/zinc/50/82/29/660508229.db2.gz SFMDKKFRPGXWIP-CHWSQXEVSA-N 1 1 351.407 -0.399 20 5 FBBDMO CC1CC[NH+](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001042976526 662219098 /nfs/dbraw/zinc/21/90/98/662219098.db2.gz GDOLMNKZIGOWEL-CHWSQXEVSA-N 1 1 354.407 -0.927 20 5 FBBDMO C[N@@H+](CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)CC(C)(C)C ZINC001042977647 662219414 /nfs/dbraw/zinc/21/94/14/662219414.db2.gz AWASQXTZHJSQHL-VXGBXAGGSA-N 1 1 356.423 -0.681 20 5 FBBDMO C[N@H+](CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)CC(C)(C)C ZINC001042977647 662219410 /nfs/dbraw/zinc/21/94/10/662219410.db2.gz AWASQXTZHJSQHL-VXGBXAGGSA-N 1 1 356.423 -0.681 20 5 FBBDMO C[N@@H+](CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)CC(C)(C)C ZINC001042977647 662219407 /nfs/dbraw/zinc/21/94/07/662219407.db2.gz AWASQXTZHJSQHL-VXGBXAGGSA-N 1 1 356.423 -0.681 20 5 FBBDMO O=C(CCC[NH+]1CCCC1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042977838 662219378 /nfs/dbraw/zinc/21/93/78/662219378.db2.gz CZDWISNKFNAGAJ-CHWSQXEVSA-N 1 1 354.407 -0.783 20 5 FBBDMO CC1(C)CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001042978727 662219736 /nfs/dbraw/zinc/21/97/36/662219736.db2.gz PSUJSDUVCBWGTA-VXGBXAGGSA-N 1 1 354.407 -0.927 20 5 FBBDMO CC1(C)CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001042978727 662219734 /nfs/dbraw/zinc/21/97/34/662219734.db2.gz PSUJSDUVCBWGTA-VXGBXAGGSA-N 1 1 354.407 -0.927 20 5 FBBDMO CC1(C)CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001042978727 662219731 /nfs/dbraw/zinc/21/97/31/662219731.db2.gz PSUJSDUVCBWGTA-VXGBXAGGSA-N 1 1 354.407 -0.927 20 5 FBBDMO C[NH+]1CCC(CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001042978731 662219541 /nfs/dbraw/zinc/21/95/41/662219541.db2.gz PZAAJKOILOIADX-CHWSQXEVSA-N 1 1 354.407 -0.927 20 5 FBBDMO O=C(CC[NH+]1CCCCC1)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042978778 662219643 /nfs/dbraw/zinc/21/96/43/662219643.db2.gz RCFUQDSKCRFBJK-CHWSQXEVSA-N 1 1 354.407 -0.783 20 5 FBBDMO CC(C)(C(=O)N1CC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)[NH+]1CCCC1 ZINC001042980936 662220064 /nfs/dbraw/zinc/22/00/64/662220064.db2.gz FXTFTNFDRFMVHC-VXGBXAGGSA-N 1 1 354.407 -0.785 20 5 FBBDMO C[NH+]1CCC(CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001043025725 662221010 /nfs/dbraw/zinc/22/10/10/662221010.db2.gz VQXDOOMFJCYTEH-CHWSQXEVSA-N 1 1 354.407 -0.927 20 5 FBBDMO O=C(CCC[NH+]1CCCC1)NCC1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001043419405 662230203 /nfs/dbraw/zinc/23/02/03/662230203.db2.gz RNXAXBBFJUFVNL-CHWSQXEVSA-N 1 1 354.407 -0.783 20 5 FBBDMO O=C(CC[NH+]1CCCCC1)NCC1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001043427920 662230455 /nfs/dbraw/zinc/23/04/55/662230455.db2.gz VKCLQBPWJFTOGL-CHWSQXEVSA-N 1 1 354.407 -0.783 20 5 FBBDMO CC(C)(C(=O)NCC1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)[NH+]1CCCC1 ZINC001044392092 662260016 /nfs/dbraw/zinc/26/00/16/662260016.db2.gz VASBKRZHODLMRD-VXGBXAGGSA-N 1 1 354.407 -0.785 20 5 FBBDMO CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC001045437241 662270255 /nfs/dbraw/zinc/27/02/55/662270255.db2.gz JFIKJICGXVJKBE-VXGBXAGGSA-N 1 1 352.391 -0.229 20 5 FBBDMO CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001045437731 662270122 /nfs/dbraw/zinc/27/01/22/662270122.db2.gz ZYXDCCJYOPSOQL-GHMZBOCLSA-N 1 1 353.379 -0.826 20 5 FBBDMO C[N@@H+](CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)CC(C)(C)C ZINC001046695421 662293545 /nfs/dbraw/zinc/29/35/45/662293545.db2.gz GWPWOMZKOZPHNW-VXGBXAGGSA-N 1 1 356.423 -0.681 20 5 FBBDMO C[N@H+](CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)CC(C)(C)C ZINC001046695421 662293544 /nfs/dbraw/zinc/29/35/44/662293544.db2.gz GWPWOMZKOZPHNW-VXGBXAGGSA-N 1 1 356.423 -0.681 20 5 FBBDMO C[N@@H+](CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)CC(C)(C)C ZINC001046695421 662293543 /nfs/dbraw/zinc/29/35/43/662293543.db2.gz GWPWOMZKOZPHNW-VXGBXAGGSA-N 1 1 356.423 -0.681 20 5 FBBDMO CC1(C)CC[N@@H+](CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001046696469 662293557 /nfs/dbraw/zinc/29/35/57/662293557.db2.gz VWHPLOSSBSGFGM-VXGBXAGGSA-N 1 1 354.407 -0.927 20 5 FBBDMO CC1(C)CC[N@H+](CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001046696469 662293556 /nfs/dbraw/zinc/29/35/56/662293556.db2.gz VWHPLOSSBSGFGM-VXGBXAGGSA-N 1 1 354.407 -0.927 20 5 FBBDMO CC1(C)CC[N@@H+](CC(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001046696469 662293555 /nfs/dbraw/zinc/29/35/55/662293555.db2.gz VWHPLOSSBSGFGM-VXGBXAGGSA-N 1 1 354.407 -0.927 20 5 FBBDMO Cn1nnnc1C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001048607873 662324749 /nfs/dbraw/zinc/32/47/49/662324749.db2.gz PAHNJESIANVZHR-FDYHWXHSSA-N 1 1 351.411 -0.113 20 5 FBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001048812649 662328968 /nfs/dbraw/zinc/32/89/68/662328968.db2.gz MDOCBJONPOBJBD-YVECIDJPSA-N 1 1 350.375 -0.809 20 5 FBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001048812649 662328966 /nfs/dbraw/zinc/32/89/66/662328966.db2.gz MDOCBJONPOBJBD-YVECIDJPSA-N 1 1 350.375 -0.809 20 5 FBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001048812649 662328964 /nfs/dbraw/zinc/32/89/64/662328964.db2.gz MDOCBJONPOBJBD-YVECIDJPSA-N 1 1 350.375 -0.809 20 5 FBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@@H]2C1 ZINC001048814691 662328937 /nfs/dbraw/zinc/32/89/37/662328937.db2.gz XMEHTIUOIWJNRR-LXTVHRRPSA-N 1 1 371.459 -0.133 20 5 FBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@@H]2C1 ZINC001048814691 662328936 /nfs/dbraw/zinc/32/89/36/662328936.db2.gz XMEHTIUOIWJNRR-LXTVHRRPSA-N 1 1 371.459 -0.133 20 5 FBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@@H]2C1 ZINC001048814691 662328933 /nfs/dbraw/zinc/32/89/33/662328933.db2.gz XMEHTIUOIWJNRR-LXTVHRRPSA-N 1 1 371.459 -0.133 20 5 FBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[NH+](CCN1CCNC1=O)CC2 ZINC001050517599 662405614 /nfs/dbraw/zinc/40/56/14/662405614.db2.gz WCTACCDJZCSUDE-CHWSQXEVSA-N 1 1 351.407 -0.399 20 5 FBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CCO)CC1 ZINC001052990343 662366320 /nfs/dbraw/zinc/36/63/20/662366320.db2.gz WXIUSYKUGLYHGO-QKPAOTATSA-N 1 1 352.435 -0.217 20 5 FBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CCO)CC1 ZINC001052990343 662366319 /nfs/dbraw/zinc/36/63/19/662366319.db2.gz WXIUSYKUGLYHGO-QKPAOTATSA-N 1 1 352.435 -0.217 20 5 FBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CCO)CC1 ZINC001052990343 662366318 /nfs/dbraw/zinc/36/63/18/662366318.db2.gz WXIUSYKUGLYHGO-QKPAOTATSA-N 1 1 352.435 -0.217 20 5 FBBDMO C[NH+](C)CC1(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)CC1 ZINC001055331536 662375112 /nfs/dbraw/zinc/37/51/12/662375112.db2.gz MCRJIPBWXXSSJU-XJFOESAGSA-N 1 1 350.419 -0.090 20 5 FBBDMO C[NH+](C)CCOCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001055331958 662374998 /nfs/dbraw/zinc/37/49/98/662374998.db2.gz WZYRMAFAHXEUOT-XJFOESAGSA-N 1 1 354.407 -0.853 20 5 FBBDMO COCCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055530540 662376868 /nfs/dbraw/zinc/37/68/68/662376868.db2.gz MQPOSYVOSWWJLN-ZIAGYGMSSA-N 1 1 356.423 -0.225 20 5 FBBDMO O=C(NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccon1 ZINC001055531378 662376992 /nfs/dbraw/zinc/37/69/92/662376992.db2.gz AVCTVVIUXJTVMD-DGCLKSJQSA-N 1 1 351.363 -0.350 20 5 FBBDMO CCOCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055544625 662377380 /nfs/dbraw/zinc/37/73/80/662377380.db2.gz ZSKNFIWFJRJJSV-ZIAGYGMSSA-N 1 1 356.423 -0.225 20 5 FBBDMO CC(C)(O)CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055567611 662377633 /nfs/dbraw/zinc/37/76/33/662377633.db2.gz ITXODJNQXOQWQS-CHWSQXEVSA-N 1 1 356.423 -0.491 20 5 FBBDMO CCOCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575323 662377728 /nfs/dbraw/zinc/37/77/28/662377728.db2.gz RZHUQJTUNPDUCQ-ZIAGYGMSSA-N 1 1 356.423 -0.225 20 5 FBBDMO COCCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575396 662377680 /nfs/dbraw/zinc/37/76/80/662377680.db2.gz UVMXKKDWOMSALJ-ZIAGYGMSSA-N 1 1 356.423 -0.225 20 5 FBBDMO CCCOCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575552 662377735 /nfs/dbraw/zinc/37/77/35/662377735.db2.gz XGSPFYCEQITLAC-ZIAGYGMSSA-N 1 1 356.423 -0.225 20 5 FBBDMO CC(C)(O)CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575554 662377650 /nfs/dbraw/zinc/37/76/50/662377650.db2.gz XMBIRIBLSVSVFW-CHWSQXEVSA-N 1 1 356.423 -0.491 20 5 FBBDMO CC(C)OCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575594 662377790 /nfs/dbraw/zinc/37/77/90/662377790.db2.gz ZCKHFEBITGVEQI-ZIAGYGMSSA-N 1 1 356.423 -0.227 20 5 FBBDMO O=C(NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-])C12CCC[NH+]1CCC2 ZINC001057543552 662407385 /nfs/dbraw/zinc/40/73/85/662407385.db2.gz OBZDZQKMFUXLHQ-CHWSQXEVSA-N 1 1 354.407 -0.783 20 5 FBBDMO CC(C)(C(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-])[NH+]1CCCC1 ZINC001057544554 662407413 /nfs/dbraw/zinc/40/74/13/662407413.db2.gz HRIOVZBUKQXPPG-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO CC1CC[NH+](CC(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001057544875 662407833 /nfs/dbraw/zinc/40/78/33/662407833.db2.gz PFKOZWKUDJXVLW-ZIAGYGMSSA-N 1 1 356.423 -0.679 20 5 FBBDMO C[N@@H+](CC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-])CC(C)(C)C ZINC001057545556 662408150 /nfs/dbraw/zinc/40/81/50/662408150.db2.gz DQZIGKPFADGFJU-CHWSQXEVSA-N 1 1 358.439 -0.433 20 5 FBBDMO C[N@H+](CC(=O)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-])CC(C)(C)C ZINC001057545556 662408146 /nfs/dbraw/zinc/40/81/46/662408146.db2.gz DQZIGKPFADGFJU-CHWSQXEVSA-N 1 1 358.439 -0.433 20 5 FBBDMO C[N@@H+](CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(C)(C)C ZINC001057545556 662408143 /nfs/dbraw/zinc/40/81/43/662408143.db2.gz DQZIGKPFADGFJU-CHWSQXEVSA-N 1 1 358.439 -0.433 20 5 FBBDMO CC1(C)CC[N@@H+](CC(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001057545668 662408023 /nfs/dbraw/zinc/40/80/23/662408023.db2.gz JWYDPPUUXWFGHL-CHWSQXEVSA-N 1 1 356.423 -0.679 20 5 FBBDMO CC1(C)CC[N@H+](CC(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001057545668 662408021 /nfs/dbraw/zinc/40/80/21/662408021.db2.gz JWYDPPUUXWFGHL-CHWSQXEVSA-N 1 1 356.423 -0.679 20 5 FBBDMO CC1(C)CC[N@@H+](CC(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001057545668 662408020 /nfs/dbraw/zinc/40/80/20/662408020.db2.gz JWYDPPUUXWFGHL-CHWSQXEVSA-N 1 1 356.423 -0.679 20 5 FBBDMO C[NH+]1CCC(CC(=O)NCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001057545997 662408327 /nfs/dbraw/zinc/40/83/27/662408327.db2.gz YXOAMNXQWKJXPK-ZIAGYGMSSA-N 1 1 356.423 -0.679 20 5 FBBDMO O=C(CCC[NH+]1CCCC1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057546582 662408371 /nfs/dbraw/zinc/40/83/71/662408371.db2.gz AAHYUYFLVXJMTK-ZIAGYGMSSA-N 1 1 356.423 -0.535 20 5 FBBDMO O=C(CC[NH+]1CCCCC1)NCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057546965 662408570 /nfs/dbraw/zinc/40/85/70/662408570.db2.gz MTDCVZYXNRIEQS-ZIAGYGMSSA-N 1 1 356.423 -0.535 20 5 FBBDMO C[NH+]1CCC(CC(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001057573495 662409392 /nfs/dbraw/zinc/40/93/92/662409392.db2.gz MTFPCIVNQVAACY-ZIAGYGMSSA-N 1 1 356.423 -0.679 20 5 FBBDMO O=C(CCC[NH+]1CCCC1)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057859259 662427817 /nfs/dbraw/zinc/42/78/17/662427817.db2.gz WOHPJUVLFUEVST-ZIAGYGMSSA-N 1 1 356.423 -0.535 20 5 FBBDMO O=C(CC[NH+]1CCCCC1)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001057861232 662427921 /nfs/dbraw/zinc/42/79/21/662427921.db2.gz MYBMIGSMEPYCKX-ZIAGYGMSSA-N 1 1 356.423 -0.535 20 5 FBBDMO O=C(NCCN(CCO)C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC001058148419 662437597 /nfs/dbraw/zinc/43/75/97/662437597.db2.gz QNQURGRBMPJLHW-CHWSQXEVSA-N 1 1 354.407 -0.783 20 5 FBBDMO CC(C)(C(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-])[NH+]1CCCC1 ZINC001058282599 662440093 /nfs/dbraw/zinc/44/00/93/662440093.db2.gz JCEFOYYPGFWXLO-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO CC1CC[NH+](CC(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001058540522 679514684 /nfs/dbraw/zinc/51/46/84/679514684.db2.gz HVIUCVKLONIAHD-ZIAGYGMSSA-N 1 1 356.423 -0.679 20 5 FBBDMO CC1(C)CC[N@@H+](CC(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001058850405 679533891 /nfs/dbraw/zinc/53/38/91/679533891.db2.gz OQRQAGRQALBTAA-CHWSQXEVSA-N 1 1 356.423 -0.679 20 5 FBBDMO CC1(C)CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001058850405 679533886 /nfs/dbraw/zinc/53/38/86/679533886.db2.gz OQRQAGRQALBTAA-CHWSQXEVSA-N 1 1 356.423 -0.679 20 5 FBBDMO CC1(C)CC[N@@H+](CC(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001058850405 679533884 /nfs/dbraw/zinc/53/38/84/679533884.db2.gz OQRQAGRQALBTAA-CHWSQXEVSA-N 1 1 356.423 -0.679 20 5 FBBDMO C[N@@H+](CC(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(C)(C)C ZINC001058850617 679533916 /nfs/dbraw/zinc/53/39/16/679533916.db2.gz WYRBCAGKINSTKL-CHWSQXEVSA-N 1 1 358.439 -0.433 20 5 FBBDMO C[N@H+](CC(=O)N(CCO)CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(C)(C)C ZINC001058850617 679533912 /nfs/dbraw/zinc/53/39/12/679533912.db2.gz WYRBCAGKINSTKL-CHWSQXEVSA-N 1 1 358.439 -0.433 20 5 FBBDMO C[N@@H+](CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(C)(C)C ZINC001058850617 679533909 /nfs/dbraw/zinc/53/39/09/679533909.db2.gz WYRBCAGKINSTKL-CHWSQXEVSA-N 1 1 358.439 -0.433 20 5 FBBDMO CC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC001068394767 842173436 /nfs/dbraw/zinc/17/34/36/842173436.db2.gz FXLCZTQEIAJQAH-CHWSQXEVSA-N 1 1 354.407 -0.567 20 5 FBBDMO CC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC001068394767 842173433 /nfs/dbraw/zinc/17/34/33/842173433.db2.gz FXLCZTQEIAJQAH-CHWSQXEVSA-N 1 1 354.407 -0.567 20 5 FBBDMO CC[N@@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC001068394767 842173430 /nfs/dbraw/zinc/17/34/30/842173430.db2.gz FXLCZTQEIAJQAH-CHWSQXEVSA-N 1 1 354.407 -0.567 20 5 FBBDMO CC[NH+](CC)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC001068395082 842173501 /nfs/dbraw/zinc/17/35/01/842173501.db2.gz NIWUBHQNNQJSLY-CHWSQXEVSA-N 1 1 354.407 -0.567 20 5 FBBDMO C[NH+](C)CCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC001068395090 842173346 /nfs/dbraw/zinc/17/33/46/842173346.db2.gz NPIURUVLECCSHP-CHWSQXEVSA-N 1 1 354.407 -0.567 20 5 FBBDMO CCC[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC001068395093 842173535 /nfs/dbraw/zinc/17/35/35/842173535.db2.gz NUMGKZZWLMWWPM-CHWSQXEVSA-N 1 1 354.407 -0.567 20 5 FBBDMO CCC[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC001068395093 842173533 /nfs/dbraw/zinc/17/35/33/842173533.db2.gz NUMGKZZWLMWWPM-CHWSQXEVSA-N 1 1 354.407 -0.567 20 5 FBBDMO CCC[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC001068395093 842173531 /nfs/dbraw/zinc/17/35/31/842173531.db2.gz NUMGKZZWLMWWPM-CHWSQXEVSA-N 1 1 354.407 -0.567 20 5 FBBDMO CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC001068396420 842174691 /nfs/dbraw/zinc/17/46/91/842174691.db2.gz YQJGSGHKUSKPEQ-CHWSQXEVSA-N 1 1 354.407 -0.568 20 5 FBBDMO CC(C)[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC001068396420 842174688 /nfs/dbraw/zinc/17/46/88/842174688.db2.gz YQJGSGHKUSKPEQ-CHWSQXEVSA-N 1 1 354.407 -0.568 20 5 FBBDMO CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC001068396420 842174683 /nfs/dbraw/zinc/17/46/83/842174683.db2.gz YQJGSGHKUSKPEQ-CHWSQXEVSA-N 1 1 354.407 -0.568 20 5 FBBDMO CC[NH+](CC)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001068399834 842174626 /nfs/dbraw/zinc/17/46/26/842174626.db2.gz QTWPQYQKRYXLTA-CHWSQXEVSA-N 1 1 354.407 -0.567 20 5 FBBDMO CC(C)[N@@H+](C)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001068406565 842174741 /nfs/dbraw/zinc/17/47/41/842174741.db2.gz YPSLSPNPCBHOJK-CHWSQXEVSA-N 1 1 354.407 -0.568 20 5 FBBDMO CC(C)[N@H+](C)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001068406565 842174736 /nfs/dbraw/zinc/17/47/36/842174736.db2.gz YPSLSPNPCBHOJK-CHWSQXEVSA-N 1 1 354.407 -0.568 20 5 FBBDMO CC(C)[N@@H+](C)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001068406565 842174733 /nfs/dbraw/zinc/17/47/33/842174733.db2.gz YPSLSPNPCBHOJK-CHWSQXEVSA-N 1 1 354.407 -0.568 20 5 FBBDMO CCC[N@@H+](C)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001068420229 842175876 /nfs/dbraw/zinc/17/58/76/842175876.db2.gz IWFHSACWRLWWTM-CHWSQXEVSA-N 1 1 354.407 -0.567 20 5 FBBDMO CCC[N@H+](C)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001068420229 842175872 /nfs/dbraw/zinc/17/58/72/842175872.db2.gz IWFHSACWRLWWTM-CHWSQXEVSA-N 1 1 354.407 -0.567 20 5 FBBDMO CCC[N@@H+](C)CC(=O)N1CCOC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001068420229 842175867 /nfs/dbraw/zinc/17/58/67/842175867.db2.gz IWFHSACWRLWWTM-CHWSQXEVSA-N 1 1 354.407 -0.567 20 5 FBBDMO C[NH+](C)CCCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001068445622 842176861 /nfs/dbraw/zinc/17/68/61/842176861.db2.gz IMPAWDGTSWVHBN-CHWSQXEVSA-N 1 1 354.407 -0.567 20 5 FBBDMO CC[N@@H+](C)CCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001068460923 842177374 /nfs/dbraw/zinc/17/73/74/842177374.db2.gz AZHPNVDIDSICKW-CHWSQXEVSA-N 1 1 354.407 -0.567 20 5 FBBDMO CC[N@H+](C)CCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001068460923 842177369 /nfs/dbraw/zinc/17/73/69/842177369.db2.gz AZHPNVDIDSICKW-CHWSQXEVSA-N 1 1 354.407 -0.567 20 5 FBBDMO CC[N@@H+](C)CCC(=O)N1CCOC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001068460923 842177366 /nfs/dbraw/zinc/17/73/66/842177366.db2.gz AZHPNVDIDSICKW-CHWSQXEVSA-N 1 1 354.407 -0.567 20 5 FBBDMO CCC[N@@H+](C)CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070114076 842245659 /nfs/dbraw/zinc/24/56/59/842245659.db2.gz AOHSEPGVQAYQCI-CHWSQXEVSA-N 1 1 356.423 -0.225 20 5 FBBDMO CCC[N@H+](C)CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070114076 842245647 /nfs/dbraw/zinc/24/56/47/842245647.db2.gz AOHSEPGVQAYQCI-CHWSQXEVSA-N 1 1 356.423 -0.225 20 5 FBBDMO CCC[N@@H+](C)CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001070114076 842245636 /nfs/dbraw/zinc/24/56/36/842245636.db2.gz AOHSEPGVQAYQCI-CHWSQXEVSA-N 1 1 356.423 -0.225 20 5 FBBDMO C[NH+](C)CCCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070114197 842245089 /nfs/dbraw/zinc/24/50/89/842245089.db2.gz FOBDGEOSZASOHB-CHWSQXEVSA-N 1 1 356.423 -0.225 20 5 FBBDMO CC(C)[N@@H+](C)CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070114275 842245701 /nfs/dbraw/zinc/24/57/01/842245701.db2.gz IFCNFFGEOJGFJZ-CHWSQXEVSA-N 1 1 356.423 -0.227 20 5 FBBDMO CC(C)[N@H+](C)CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070114275 842245690 /nfs/dbraw/zinc/24/56/90/842245690.db2.gz IFCNFFGEOJGFJZ-CHWSQXEVSA-N 1 1 356.423 -0.227 20 5 FBBDMO CC(C)[N@@H+](C)CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001070114275 842245681 /nfs/dbraw/zinc/24/56/81/842245681.db2.gz IFCNFFGEOJGFJZ-CHWSQXEVSA-N 1 1 356.423 -0.227 20 5 FBBDMO CC[NH+](CC)CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070114281 842244505 /nfs/dbraw/zinc/24/45/05/842244505.db2.gz IWDTYFJSLLSULM-CHWSQXEVSA-N 1 1 356.423 -0.225 20 5 FBBDMO CC[N@@H+](C)CCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070114491 842244836 /nfs/dbraw/zinc/24/48/36/842244836.db2.gz SOOUIQAWMOFAKW-CHWSQXEVSA-N 1 1 356.423 -0.225 20 5 FBBDMO CC[N@H+](C)CCC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070114491 842244824 /nfs/dbraw/zinc/24/48/24/842244824.db2.gz SOOUIQAWMOFAKW-CHWSQXEVSA-N 1 1 356.423 -0.225 20 5 FBBDMO CC[N@@H+](C)CCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001070114491 842244812 /nfs/dbraw/zinc/24/48/12/842244812.db2.gz SOOUIQAWMOFAKW-CHWSQXEVSA-N 1 1 356.423 -0.225 20 5 FBBDMO O=C(C[NH+]1CCCC1)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070123526 842247048 /nfs/dbraw/zinc/24/70/48/842247048.db2.gz RGVLQCAAHAVRRM-CHWSQXEVSA-N 1 1 354.407 -0.471 20 5 FBBDMO CC[NH+](CC)CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070124983 842247007 /nfs/dbraw/zinc/24/70/07/842247007.db2.gz INDZQYVSRSPPKN-CHWSQXEVSA-N 1 1 356.423 -0.225 20 5 FBBDMO CC(C)[N@@H+](C)CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070144193 842250711 /nfs/dbraw/zinc/25/07/11/842250711.db2.gz YTNAOOOOUIZSFC-CHWSQXEVSA-N 1 1 356.423 -0.227 20 5 FBBDMO CC(C)[N@H+](C)CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070144193 842250701 /nfs/dbraw/zinc/25/07/01/842250701.db2.gz YTNAOOOOUIZSFC-CHWSQXEVSA-N 1 1 356.423 -0.227 20 5 FBBDMO CC(C)[N@@H+](C)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001070144193 842250693 /nfs/dbraw/zinc/25/06/93/842250693.db2.gz YTNAOOOOUIZSFC-CHWSQXEVSA-N 1 1 356.423 -0.227 20 5 FBBDMO CCC[N@@H+](C)CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070183626 842258226 /nfs/dbraw/zinc/25/82/26/842258226.db2.gz OPWZVBBXYMEHKW-CHWSQXEVSA-N 1 1 356.423 -0.225 20 5 FBBDMO CCC[N@H+](C)CC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070183626 842258218 /nfs/dbraw/zinc/25/82/18/842258218.db2.gz OPWZVBBXYMEHKW-CHWSQXEVSA-N 1 1 356.423 -0.225 20 5 FBBDMO CCC[N@@H+](C)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001070183626 842258213 /nfs/dbraw/zinc/25/82/13/842258213.db2.gz OPWZVBBXYMEHKW-CHWSQXEVSA-N 1 1 356.423 -0.225 20 5 FBBDMO C[NH+](C)CCCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070223303 842266681 /nfs/dbraw/zinc/26/66/81/842266681.db2.gz HNGIFTPLYURBAN-CHWSQXEVSA-N 1 1 356.423 -0.225 20 5 FBBDMO CC[N@@H+](C)CCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070250347 842271263 /nfs/dbraw/zinc/27/12/63/842271263.db2.gz NAQMIHZLOLMVIO-CHWSQXEVSA-N 1 1 356.423 -0.225 20 5 FBBDMO CC[N@H+](C)CCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001070250347 842271253 /nfs/dbraw/zinc/27/12/53/842271253.db2.gz NAQMIHZLOLMVIO-CHWSQXEVSA-N 1 1 356.423 -0.225 20 5 FBBDMO CC[N@@H+](C)CCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001070250347 842271240 /nfs/dbraw/zinc/27/12/40/842271240.db2.gz NAQMIHZLOLMVIO-CHWSQXEVSA-N 1 1 356.423 -0.225 20 5 FBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC001072726827 842339431 /nfs/dbraw/zinc/33/94/31/842339431.db2.gz SKZGIICKUAFLKW-VXGBXAGGSA-N 1 1 350.375 -0.665 20 5 FBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCN1C(=O)CCC1=O)C2 ZINC001072726827 842339417 /nfs/dbraw/zinc/33/94/17/842339417.db2.gz SKZGIICKUAFLKW-VXGBXAGGSA-N 1 1 350.375 -0.665 20 5 FBBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC001072726827 842339412 /nfs/dbraw/zinc/33/94/12/842339412.db2.gz SKZGIICKUAFLKW-VXGBXAGGSA-N 1 1 350.375 -0.665 20 5 FBBDMO C[NH+](C)CCOCC(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073013213 842342621 /nfs/dbraw/zinc/34/26/21/842342621.db2.gz UWTHVYNAQHBPQN-CHWSQXEVSA-N 1 1 356.423 -0.273 20 5 FBBDMO C[NH+](C)CCOCC(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073165433 842343412 /nfs/dbraw/zinc/34/34/12/842343412.db2.gz FCOSOHWTRSSWAL-CHWSQXEVSA-N 1 1 356.423 -0.273 20 5 FBBDMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074584285 842361916 /nfs/dbraw/zinc/36/19/16/842361916.db2.gz ALHLAZMEJZCQIV-CHWSQXEVSA-N 1 1 356.423 -0.539 20 5 FBBDMO CC(C)[N@H+](C)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074584285 842361913 /nfs/dbraw/zinc/36/19/13/842361913.db2.gz ALHLAZMEJZCQIV-CHWSQXEVSA-N 1 1 356.423 -0.539 20 5 FBBDMO CC(C)[N@@H+](C)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001074584285 842361899 /nfs/dbraw/zinc/36/18/99/842361899.db2.gz ALHLAZMEJZCQIV-CHWSQXEVSA-N 1 1 356.423 -0.539 20 5 FBBDMO CCC[N@@H+](C)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074584439 842361470 /nfs/dbraw/zinc/36/14/70/842361470.db2.gz HLKDBYDWIRVCRS-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO CCC[N@H+](C)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074584439 842361459 /nfs/dbraw/zinc/36/14/59/842361459.db2.gz HLKDBYDWIRVCRS-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO CCC[N@@H+](C)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001074584439 842361449 /nfs/dbraw/zinc/36/14/49/842361449.db2.gz HLKDBYDWIRVCRS-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO C[NH+](C)CCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074584466 842362420 /nfs/dbraw/zinc/36/24/20/842362420.db2.gz IWNCPBDCMMJNHK-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO CC[N@@H+](C)CCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074584486 842361366 /nfs/dbraw/zinc/36/13/66/842361366.db2.gz JRLKTOVFMPYYHA-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO CC[N@H+](C)CCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074584486 842361352 /nfs/dbraw/zinc/36/13/52/842361352.db2.gz JRLKTOVFMPYYHA-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO CC[N@@H+](C)CCC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001074584486 842361349 /nfs/dbraw/zinc/36/13/49/842361349.db2.gz JRLKTOVFMPYYHA-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO CC[NH+](CC)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074584889 842362592 /nfs/dbraw/zinc/36/25/92/842362592.db2.gz YVJRXDWPGOOACN-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO O=C(C[NH+]1CCCC1)N1CCC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074594427 842363843 /nfs/dbraw/zinc/36/38/43/842363843.db2.gz ZODQCCLCPZUQSJ-CHWSQXEVSA-N 1 1 354.407 -0.783 20 5 FBBDMO CC[NH+](CC)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074595015 842362942 /nfs/dbraw/zinc/36/29/42/842362942.db2.gz FIUUFJKZKDMVHF-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO CC(C)[N@@H+](C)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074618064 842365686 /nfs/dbraw/zinc/36/56/86/842365686.db2.gz UOPUEZQLHUMSJR-CHWSQXEVSA-N 1 1 356.423 -0.539 20 5 FBBDMO CC(C)[N@H+](C)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074618064 842365669 /nfs/dbraw/zinc/36/56/69/842365669.db2.gz UOPUEZQLHUMSJR-CHWSQXEVSA-N 1 1 356.423 -0.539 20 5 FBBDMO CC(C)[N@@H+](C)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001074618064 842365658 /nfs/dbraw/zinc/36/56/58/842365658.db2.gz UOPUEZQLHUMSJR-CHWSQXEVSA-N 1 1 356.423 -0.539 20 5 FBBDMO CCC[N@@H+](C)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074656653 842367912 /nfs/dbraw/zinc/36/79/12/842367912.db2.gz VBLGDMIHVFNWEV-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO CCC[N@H+](C)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074656653 842367902 /nfs/dbraw/zinc/36/79/02/842367902.db2.gz VBLGDMIHVFNWEV-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO CCC[N@@H+](C)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001074656653 842367897 /nfs/dbraw/zinc/36/78/97/842367897.db2.gz VBLGDMIHVFNWEV-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO C[NH+](C)CCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074696970 842370701 /nfs/dbraw/zinc/37/07/01/842370701.db2.gz OXUDHUVEGVBCGE-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO CC[N@@H+](C)CCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074728375 842372043 /nfs/dbraw/zinc/37/20/43/842372043.db2.gz HJRICEQXJKNPGO-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO CC[N@H+](C)CCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001074728375 842372034 /nfs/dbraw/zinc/37/20/34/842372034.db2.gz HJRICEQXJKNPGO-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO CC[N@@H+](C)CCC(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001074728375 842372025 /nfs/dbraw/zinc/37/20/25/842372025.db2.gz HJRICEQXJKNPGO-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO O=C(C[NH+]1CCCC1)N1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080856491 838105767 /nfs/dbraw/zinc/10/57/67/838105767.db2.gz GVJDZZSXEOMAQT-CHWSQXEVSA-N 1 1 354.407 -0.783 20 5 FBBDMO CCC[N@@H+](C)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080856537 838105822 /nfs/dbraw/zinc/10/58/22/838105822.db2.gz JLJGVNCBVIRYIM-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO CCC[N@H+](C)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080856537 838105815 /nfs/dbraw/zinc/10/58/15/838105815.db2.gz JLJGVNCBVIRYIM-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO CCC[N@@H+](C)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001080856537 838105810 /nfs/dbraw/zinc/10/58/10/838105810.db2.gz JLJGVNCBVIRYIM-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO CC[N@@H+](C)CCC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080856552 838105449 /nfs/dbraw/zinc/10/54/49/838105449.db2.gz KAVRYOYYWFAJJM-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO CC[N@H+](C)CCC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080856552 838105442 /nfs/dbraw/zinc/10/54/42/838105442.db2.gz KAVRYOYYWFAJJM-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO CC[N@@H+](C)CCC(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001080856552 838105436 /nfs/dbraw/zinc/10/54/36/838105436.db2.gz KAVRYOYYWFAJJM-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO CC[NH+](CC)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080856664 838105559 /nfs/dbraw/zinc/10/55/59/838105559.db2.gz PAGSBPIOORYYRF-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO CC(C)[N@@H+](C)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080856694 838106222 /nfs/dbraw/zinc/10/62/22/838106222.db2.gz QMDURCKFSLZZDZ-CHWSQXEVSA-N 1 1 356.423 -0.539 20 5 FBBDMO CC(C)[N@H+](C)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080856694 838106215 /nfs/dbraw/zinc/10/62/15/838106215.db2.gz QMDURCKFSLZZDZ-CHWSQXEVSA-N 1 1 356.423 -0.539 20 5 FBBDMO CC(C)[N@@H+](C)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001080856694 838106213 /nfs/dbraw/zinc/10/62/13/838106213.db2.gz QMDURCKFSLZZDZ-CHWSQXEVSA-N 1 1 356.423 -0.539 20 5 FBBDMO C[NH+](C)CCCC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080856720 838106173 /nfs/dbraw/zinc/10/61/73/838106173.db2.gz RJFIJECOAGUMQP-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO CC[NH+](CC)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001080869142 838106695 /nfs/dbraw/zinc/10/66/95/838106695.db2.gz YRFRPVBPCRBOMA-CHWSQXEVSA-N 1 1 356.423 -0.537 20 5 FBBDMO 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ZINC001098366326 839177681 /nfs/dbraw/zinc/17/76/81/839177681.db2.gz ZYPGBOWZJNZCSW-CHWSQXEVSA-N 1 1 352.395 -0.734 20 5 FBBDMO CCOCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001105235622 836082835 /nfs/dbraw/zinc/08/28/35/836082835.db2.gz LPXZZVMEVVCWLP-ZIAGYGMSSA-N 1 1 352.395 -0.157 20 5 FBBDMO COCCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001105235721 836082996 /nfs/dbraw/zinc/08/29/96/836082996.db2.gz PUNNTSFOBVRWIC-ZIAGYGMSSA-N 1 1 352.395 -0.157 20 5 FBBDMO CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530682 842877549 /nfs/dbraw/zinc/87/75/49/842877549.db2.gz LJRNAUKWDTUCKH-GHMZBOCLSA-N 1 1 355.395 -0.484 20 5 FBBDMO CS(=O)(=O)NCC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530819 842877701 /nfs/dbraw/zinc/87/77/01/842877701.db2.gz SRVSXLSHBVIORN-VXGBXAGGSA-N 1 1 362.452 -0.391 20 5 FBBDMO C[N@H+]1CCC[C@@H](N2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC001116350776 842930039 /nfs/dbraw/zinc/93/00/39/842930039.db2.gz NFNNLICTPCXVMR-GDBMZVCRSA-N 1 1 352.439 -0.136 20 5 FBBDMO C[N@H+]1CCC[C@H](N2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC001116350777 842929770 /nfs/dbraw/zinc/92/97/70/842929770.db2.gz NFNNLICTPCXVMR-GOEBONIOSA-N 1 1 352.439 -0.136 20 5 FBBDMO C[N@H+]1CCC[C@H](N2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC001116350778 842929830 /nfs/dbraw/zinc/92/98/30/842929830.db2.gz NFNNLICTPCXVMR-HOCLYGCPSA-N 1 1 352.439 -0.136 20 5 FBBDMO C[N@H+]1CCC[C@@H](N2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC001116350779 842930090 /nfs/dbraw/zinc/93/00/90/842930090.db2.gz NFNNLICTPCXVMR-ZBFHGGJFSA-N 1 1 352.439 -0.136 20 5 FBBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001117046396 843021668 /nfs/dbraw/zinc/02/16/68/843021668.db2.gz SVRSPLADNUGPJR-LLVKDONJSA-N 1 1 350.379 -0.492 20 5 FBBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001117046397 843021599 /nfs/dbraw/zinc/02/15/99/843021599.db2.gz SVRSPLADNUGPJR-NSHDSACASA-N 1 1 350.379 -0.492 20 5 FBBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001117291168 843063724 /nfs/dbraw/zinc/06/37/24/843063724.db2.gz XKEBSNXZDQLFHE-GFCCVEGCSA-N 1 1 352.395 -0.102 20 5 FBBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001117291169 843063096 /nfs/dbraw/zinc/06/30/96/843063096.db2.gz XKEBSNXZDQLFHE-LBPRGKRZSA-N 1 1 352.395 -0.102 20 5 FBBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001117565110 843124589 /nfs/dbraw/zinc/12/45/89/843124589.db2.gz RVDOBZNYVGQYNT-GFCCVEGCSA-N 1 1 352.395 -0.292 20 5 FBBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001117565111 843124937 /nfs/dbraw/zinc/12/49/37/843124937.db2.gz RVDOBZNYVGQYNT-LBPRGKRZSA-N 1 1 352.395 -0.292 20 5 FBBDMO CC(C)[N@H+]1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC001117602581 843135232 /nfs/dbraw/zinc/13/52/32/843135232.db2.gz DDFSWFGAEHYBPC-UHFFFAOYSA-N 1 1 352.395 -0.150 20 5 FBBDMO CCCN(C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](C)C1 ZINC001118223135 843216271 /nfs/dbraw/zinc/21/62/71/843216271.db2.gz JPWWCDITGSRLQO-GFCCVEGCSA-N 1 1 352.395 -0.150 20 5 FBBDMO CCCN(C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+](C)C1 ZINC001118223136 843216474 /nfs/dbraw/zinc/21/64/74/843216474.db2.gz JPWWCDITGSRLQO-LBPRGKRZSA-N 1 1 352.395 -0.150 20 5 FBBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([N@@H+](C)CCCO)CC2)n1 ZINC001118873669 838801914 /nfs/dbraw/zinc/80/19/14/838801914.db2.gz UDNBWPFPBSOAFV-UHFFFAOYSA-N 1 1 361.424 -0.204 20 5 FBBDMO CNC(=O)NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001121081702 843581008 /nfs/dbraw/zinc/58/10/08/843581008.db2.gz QJYKVFAIECEKII-IVMCCYTASA-N 1 1 353.379 -0.876 20 5 FBBDMO CS(=O)(=O)NCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001121087313 843580902 /nfs/dbraw/zinc/58/09/02/843580902.db2.gz CWYBJCBGXWOTMR-VTRUDKGBSA-N 1 1 360.436 -0.782 20 5 FBBDMO CN(C)S(=O)(=O)c1cccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126936217 836561639 /nfs/dbraw/zinc/56/16/39/836561639.db2.gz BCTVFKVKJAWBOQ-ZIAGYGMSSA-N 1 1 370.431 -0.192 20 5 FBBDMO Cc1nn2c(nc(C[NH2+]CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2=O)s1 ZINC001126936220 836561670 /nfs/dbraw/zinc/56/16/70/836561670.db2.gz BJMITYNADVTWJX-NXEZZACHSA-N 1 1 352.376 -0.670 20 5 FBBDMO CN(C)S(=O)(=O)c1cc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])co1 ZINC001126936496 836561838 /nfs/dbraw/zinc/56/18/38/836561838.db2.gz LORHAGDJORMPOU-GHMZBOCLSA-N 1 1 360.392 -0.599 20 5 FBBDMO Cc1csc2nc(C[NH2+]CCNC(=O)[C@@H]3CC3[N+](=O)[O-])cc(=O)n12 ZINC001126936497 836561339 /nfs/dbraw/zinc/56/13/39/836561339.db2.gz LUOPZBGRRNBCNR-GHMZBOCLSA-N 1 1 351.388 -0.065 20 5 FBBDMO CN(C)S(=O)(=O)c1ccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126936634 836561567 /nfs/dbraw/zinc/56/15/67/836561567.db2.gz NHWWIJNATYTPCB-ZIAGYGMSSA-N 1 1 370.431 -0.192 20 5 FBBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NC(=O)NC1CCCCC1 ZINC001126936650 836560997 /nfs/dbraw/zinc/56/09/97/836560997.db2.gz ORHICAPGXGQQHD-VXGBXAGGSA-N 1 1 355.395 -0.484 20 5 FBBDMO CNS(=O)(=O)c1ccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126936838 836561094 /nfs/dbraw/zinc/56/10/94/836561094.db2.gz UBSUYXIAHCQFSK-CHWSQXEVSA-N 1 1 356.404 -0.534 20 5 FBBDMO Cc1nc2sccn2c(=O)c1CC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936921 836561310 /nfs/dbraw/zinc/56/13/10/836561310.db2.gz WYTOULVOFAVMQF-VXGBXAGGSA-N 1 1 365.415 -0.022 20 5 FBBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCCOc1ccccc1 ZINC001126938482 836563942 /nfs/dbraw/zinc/56/39/42/836563942.db2.gz AZNDYQNLQISWKT-ZIAGYGMSSA-N 1 1 350.375 -0.447 20 5 FBBDMO CS(=O)(=O)c1cccc(OCC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126938541 836563812 /nfs/dbraw/zinc/56/38/12/836563812.db2.gz DIGPKLKYYUHKSK-ZIAGYGMSSA-N 1 1 371.415 -0.160 20 5 FBBDMO O=C(NCC[NH2+]CCNS(=O)(=O)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126938551 836564148 /nfs/dbraw/zinc/56/41/48/836564148.db2.gz DXCXRHHEJGTGLN-CHWSQXEVSA-N 1 1 356.404 -0.664 20 5 FBBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCc1cc(F)cc(F)c1 ZINC001126938759 836563060 /nfs/dbraw/zinc/56/30/60/836563060.db2.gz JURAJIZDFXRIQQ-CHWSQXEVSA-N 1 1 356.329 -0.048 20 5 FBBDMO COc1ccccc1CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126938923 836564965 /nfs/dbraw/zinc/56/49/65/836564965.db2.gz NOSMDFKOXPGABY-CHWSQXEVSA-N 1 1 350.375 -0.318 20 5 FBBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCCc1ccc(F)cc1 ZINC001126939180 836563577 /nfs/dbraw/zinc/56/35/77/836563577.db2.gz QJYZMMLUPDKHGM-ZIAGYGMSSA-N 1 1 352.366 -0.145 20 5 FBBDMO CS(=O)(=O)c1ccc(OCC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126939224 836564206 /nfs/dbraw/zinc/56/42/06/836564206.db2.gz SQXGQLNQUACSML-ZIAGYGMSSA-N 1 1 371.415 -0.160 20 5 FBBDMO O=C(NCC[NH2+]CCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126939437 836564611 /nfs/dbraw/zinc/56/46/11/836564611.db2.gz YFMNGXFRNAYLNV-GHMZBOCLSA-N 1 1 353.379 -0.778 20 5 FBBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NC(=O)NCc1cccs1 ZINC001126943107 836572549 /nfs/dbraw/zinc/57/25/49/836572549.db2.gz LHXLWCUXAHGQJO-GHMZBOCLSA-N 1 1 369.403 -0.555 20 5 FBBDMO COc1ccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126943677 836573699 /nfs/dbraw/zinc/57/36/99/836573699.db2.gz SAEWSEFKUSQKSK-ZIAGYGMSSA-N 1 1 350.375 -0.318 20 5 FBBDMO COc1cccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126943962 836575107 /nfs/dbraw/zinc/57/51/07/836575107.db2.gz XJGOIGMCMXRLOG-ZIAGYGMSSA-N 1 1 350.375 -0.318 20 5 FBBDMO COCCCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001131353753 839682302 /nfs/dbraw/zinc/68/23/02/839682302.db2.gz AURABLRCDRBKEU-ZIAGYGMSSA-N 1 1 356.423 -0.271 20 5 FBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001136638450 839778919 /nfs/dbraw/zinc/77/89/19/839778919.db2.gz AMOBQLXTTIAQDT-UHFFFAOYSA-N 1 1 352.395 -0.231 20 5 FBBDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)CC1 ZINC001136664256 839779575 /nfs/dbraw/zinc/77/95/75/839779575.db2.gz UQHIOIBOBDRFJD-UHFFFAOYSA-N 1 1 351.367 -0.557 20 5 FBBDMO C[N@H+]1CC[C@H](CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001142004514 843703169 /nfs/dbraw/zinc/70/31/69/843703169.db2.gz AOPFSBXRLXEDIC-LLVKDONJSA-N 1 1 356.404 -0.059 20 5 FBBDMO C[N@H+]1CC[C@@H](CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001142004515 843702820 /nfs/dbraw/zinc/70/28/20/843702820.db2.gz AOPFSBXRLXEDIC-NSHDSACASA-N 1 1 356.404 -0.059 20 5 FBBDMO COC(=O)[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC001142389231 843711734 /nfs/dbraw/zinc/71/17/34/843711734.db2.gz CBRVQCYRSOFWCS-LLVKDONJSA-N 1 1 352.347 -0.680 20 5 FBBDMO COC(=O)[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC001142389231 843711727 /nfs/dbraw/zinc/71/17/27/843711727.db2.gz CBRVQCYRSOFWCS-LLVKDONJSA-N 1 1 352.347 -0.680 20 5 FBBDMO COC(=O)[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC001142389232 843711826 /nfs/dbraw/zinc/71/18/26/843711826.db2.gz CBRVQCYRSOFWCS-NSHDSACASA-N 1 1 352.347 -0.680 20 5 FBBDMO COC(=O)[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC001142389232 843711817 /nfs/dbraw/zinc/71/18/17/843711817.db2.gz CBRVQCYRSOFWCS-NSHDSACASA-N 1 1 352.347 -0.680 20 5 FBBDMO CC(C)NC(=O)NCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147506095 839931271 /nfs/dbraw/zinc/93/12/71/839931271.db2.gz CSQPBGUDVVGPAK-CHWSQXEVSA-N 1 1 353.423 -0.107 20 5 FBBDMO CC(C)NC(=O)NCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147506095 839931267 /nfs/dbraw/zinc/93/12/67/839931267.db2.gz CSQPBGUDVVGPAK-CHWSQXEVSA-N 1 1 353.423 -0.107 20 5 FBBDMO CC(C)NC(=O)NCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147506095 839931259 /nfs/dbraw/zinc/93/12/59/839931259.db2.gz CSQPBGUDVVGPAK-CHWSQXEVSA-N 1 1 353.423 -0.107 20 5 FBBDMO CN(CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)S(C)(=O)=O ZINC001147507000 839930691 /nfs/dbraw/zinc/93/06/91/839930691.db2.gz JORIRQXYRQHAPK-VXGBXAGGSA-N 1 1 360.436 -0.923 20 5 FBBDMO CC(=O)NCCOCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147507501 839931451 /nfs/dbraw/zinc/93/14/51/839931451.db2.gz PXQASQOQRQSINM-ZIAGYGMSSA-N 1 1 354.407 -0.661 20 5 FBBDMO CC(=O)NCCOCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147507501 839931443 /nfs/dbraw/zinc/93/14/43/839931443.db2.gz PXQASQOQRQSINM-ZIAGYGMSSA-N 1 1 354.407 -0.661 20 5 FBBDMO CC(=O)NCCOCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147507501 839931438 /nfs/dbraw/zinc/93/14/38/839931438.db2.gz PXQASQOQRQSINM-ZIAGYGMSSA-N 1 1 354.407 -0.661 20 5 FBBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001148079365 839942754 /nfs/dbraw/zinc/94/27/54/839942754.db2.gz QELHYALGOFPHEB-CYBMUJFWSA-N 1 1 350.375 -0.186 20 5 FBBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001148079367 839942827 /nfs/dbraw/zinc/94/28/27/839942827.db2.gz QELHYALGOFPHEB-ZDUSSCGKSA-N 1 1 350.375 -0.186 20 5 FBBDMO Cn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)n1 ZINC001149025140 839958650 /nfs/dbraw/zinc/95/86/50/839958650.db2.gz IPXDUJKYTRBJIH-JTQLQIEISA-N 1 1 359.408 -0.481 20 5 FBBDMO Cn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)n1 ZINC001149025141 839958373 /nfs/dbraw/zinc/95/83/73/839958373.db2.gz IPXDUJKYTRBJIH-SNVBAGLBSA-N 1 1 359.408 -0.481 20 5 FBBDMO CN(CC[N@@H+](C)CCO)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001149203876 843729899 /nfs/dbraw/zinc/72/98/99/843729899.db2.gz CFRXNVDKZXEXLZ-UHFFFAOYSA-N 1 1 374.419 -0.744 20 5 FBBDMO COCCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](CCOCCO)CC1 ZINC001151122105 843749322 /nfs/dbraw/zinc/74/93/22/843749322.db2.gz YECHONGOHBZBNK-ZIAGYGMSSA-N 1 1 359.423 -0.352 20 5 FBBDMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC001153325562 843773764 /nfs/dbraw/zinc/77/37/64/843773764.db2.gz HOZBUBRFFYILPP-GFCCVEGCSA-N 1 1 352.395 -0.156 20 5 FBBDMO O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC001153325566 843773518 /nfs/dbraw/zinc/77/35/18/843773518.db2.gz HOZBUBRFFYILPP-LBPRGKRZSA-N 1 1 352.395 -0.156 20 5 FBBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC001153703694 843776677 /nfs/dbraw/zinc/77/66/77/843776677.db2.gz ZTJNJDGOPHEALT-AWEZNQCLSA-N 1 1 357.388 -0.205 20 5 FBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC001153703703 843777433 /nfs/dbraw/zinc/77/74/33/843777433.db2.gz ZTJNJDGOPHEALT-CQSZACIVSA-N 1 1 357.388 -0.205 20 5 FBBDMO COC(=O)[C@H](N)C1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001155168786 843802528 /nfs/dbraw/zinc/80/25/28/843802528.db2.gz GSTXHMYSTUNZTB-GFCCVEGCSA-N 1 1 350.379 -0.212 20 5 FBBDMO COC(=O)[C@@H](N)C1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001155168787 843802562 /nfs/dbraw/zinc/80/25/62/843802562.db2.gz GSTXHMYSTUNZTB-LBPRGKRZSA-N 1 1 350.379 -0.212 20 5 FBBDMO O=C(NCCNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])C(F)(F)F ZINC001156200378 843820214 /nfs/dbraw/zinc/82/02/14/843820214.db2.gz UOMCORCLWGPEFM-UHFFFAOYSA-N 1 1 363.300 -0.115 20 5 FBBDMO CNS(=O)(=O)c1ccc(C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001157767811 843846844 /nfs/dbraw/zinc/84/68/44/843846844.db2.gz VQTSBDKQGZAUFG-ZIAGYGMSSA-N 1 1 370.431 -0.144 20 5 FBBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])NC(=O)NC1CCCC1 ZINC001157767851 843847178 /nfs/dbraw/zinc/84/71/78/843847178.db2.gz XVANJJXCTNZDMV-VXGBXAGGSA-N 1 1 355.395 -0.484 20 5 FBBDMO Cc1nn2c(nc(C[NH2+]CCCNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2=O)s1 ZINC001157767859 843846875 /nfs/dbraw/zinc/84/68/75/843846875.db2.gz YJPNEABQTDAIGE-GHMZBOCLSA-N 1 1 366.403 -0.279 20 5 FBBDMO CCCn1nccc1NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157774857 843847578 /nfs/dbraw/zinc/84/75/78/843847578.db2.gz DNLYEJUJSFSYFH-VXGBXAGGSA-N 1 1 352.395 -0.007 20 5 FBBDMO O=C(NCCC[NH2+]CCNS(=O)(=O)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001157775001 843847796 /nfs/dbraw/zinc/84/77/96/843847796.db2.gz GTDNLGBLLMYPGO-ZIAGYGMSSA-N 1 1 370.431 -0.274 20 5 FBBDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])NC(=O)NCC(F)(F)F ZINC001157775064 843847978 /nfs/dbraw/zinc/84/79/78/843847978.db2.gz KDAPCGKHIGXVFJ-HTQZYQBOSA-N 1 1 369.300 -0.864 20 5 FBBDMO COCCS(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775241 843847654 /nfs/dbraw/zinc/84/76/54/843847654.db2.gz MGCBBHNDPLEZMG-VXGBXAGGSA-N 1 1 351.425 -0.801 20 5 FBBDMO CC(C)CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775246 843847921 /nfs/dbraw/zinc/84/79/21/843847921.db2.gz MSFZQXVMGNYCOP-ZIAGYGMSSA-N 1 1 358.439 -0.074 20 5 FBBDMO CC1(C)NC(=O)N(CCC[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC001157775289 843847442 /nfs/dbraw/zinc/84/74/42/843847442.db2.gz NVSCGTGCGHJRKX-GHMZBOCLSA-N 1 1 355.395 -0.532 20 5 FBBDMO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775295 843847483 /nfs/dbraw/zinc/84/74/83/843847483.db2.gz NZEUFHCRCDTHAZ-CHWSQXEVSA-N 1 1 352.395 -0.860 20 5 FBBDMO Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775604 843847461 /nfs/dbraw/zinc/84/74/61/843847461.db2.gz ROHDPTHKXYYJPY-VXGBXAGGSA-N 1 1 352.395 -0.263 20 5 FBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001159860690 843890952 /nfs/dbraw/zinc/89/09/52/843890952.db2.gz YRXOVQAYLLKCPW-SWLSCSKDSA-N 1 1 353.379 -0.558 20 5 FBBDMO O=C(NCCC1=CC[N@@H+](CCN2CCNC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001160107812 843895132 /nfs/dbraw/zinc/89/51/32/843895132.db2.gz UPJJNVNQIAKDBU-ZIAGYGMSSA-N 1 1 351.407 -0.185 20 5 FBBDMO O=C(NCCC1=CC[N@H+](CCN2CCNC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001160107812 843895126 /nfs/dbraw/zinc/89/51/26/843895126.db2.gz UPJJNVNQIAKDBU-ZIAGYGMSSA-N 1 1 351.407 -0.185 20 5 FBBDMO O=C(NCCC1=CC[N@@H+](CCN2CCNC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160107812 843895118 /nfs/dbraw/zinc/89/51/18/843895118.db2.gz UPJJNVNQIAKDBU-ZIAGYGMSSA-N 1 1 351.407 -0.185 20 5 FBBDMO COC(=O)c1nc(Cl)nc(NCCN2CC[NH2+]CC2=O)c1[N+](=O)[O-] ZINC001161019033 843914296 /nfs/dbraw/zinc/91/42/96/843914296.db2.gz JMGXNINIXDHEFQ-UHFFFAOYSA-N 1 1 358.742 -0.332 20 5 FBBDMO Cc1nn(C)c(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)c1[N+](=O)[O-] ZINC001161913613 843928646 /nfs/dbraw/zinc/92/86/46/843928646.db2.gz CGYWUGCAAUCNSG-XHDPSFHLSA-N 1 1 353.379 -0.408 20 5 FBBDMO Cc1nn(C)c(C(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)c1[N+](=O)[O-] ZINC001161913613 843928640 /nfs/dbraw/zinc/92/86/40/843928640.db2.gz CGYWUGCAAUCNSG-XHDPSFHLSA-N 1 1 353.379 -0.408 20 5 FBBDMO COCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](CC(=O)N(C)C)CC1 ZINC001162264200 843930792 /nfs/dbraw/zinc/93/07/92/843930792.db2.gz FYCMHERJGAZFAW-CHWSQXEVSA-N 1 1 356.423 -0.415 20 5 FBBDMO COCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](CCOCCO)CC1 ZINC001162264672 843930939 /nfs/dbraw/zinc/93/09/39/843930939.db2.gz SIHQIFYXUVPZHT-ZIAGYGMSSA-N 1 1 359.423 -0.495 20 5 FBBDMO [NH3+][C@@H]1NCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@H]2NCN[C@@H]21 ZINC001162436952 843933238 /nfs/dbraw/zinc/93/32/38/843933238.db2.gz QWALJVDVQDVOJP-CKYFFXLPSA-N 1 1 350.770 -0.312 20 5 FBBDMO [NH3+][C@@H]1NCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@@H]2NCN[C@@H]21 ZINC001162436953 843933623 /nfs/dbraw/zinc/93/36/23/843933623.db2.gz QWALJVDVQDVOJP-FOGDFJRCSA-N 1 1 350.770 -0.312 20 5 FBBDMO [NH3+][C@@H]1NCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@H]2NCN[C@H]21 ZINC001162436956 843933654 /nfs/dbraw/zinc/93/36/54/843933654.db2.gz QWALJVDVQDVOJP-HOSYDEDBSA-N 1 1 350.770 -0.312 20 5 FBBDMO [NH3+][C@@H]1NCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@@H]2NCN[C@H]21 ZINC001162436957 843933594 /nfs/dbraw/zinc/93/35/94/843933594.db2.gz QWALJVDVQDVOJP-UMNHJUIQSA-N 1 1 350.770 -0.312 20 5 FBBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001162437057 843933509 /nfs/dbraw/zinc/93/35/09/843933509.db2.gz ROMLPVCYTBIIQO-CQFDHEJISA-N 1 1 371.785 -0.683 20 5 FBBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001162437060 843933127 /nfs/dbraw/zinc/93/31/27/843933127.db2.gz ROMLPVCYTBIIQO-MKCWBWRRSA-N 1 1 371.785 -0.683 20 5 FBBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001162437062 843933201 /nfs/dbraw/zinc/93/32/01/843933201.db2.gz ROMLPVCYTBIIQO-QILRFPOHSA-N 1 1 371.785 -0.683 20 5 FBBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001162437065 843933280 /nfs/dbraw/zinc/93/32/80/843933280.db2.gz ROMLPVCYTBIIQO-VSYUYLJXSA-N 1 1 371.785 -0.683 20 5 FBBDMO [NH3+][C@@H]1NCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)[C@H]2NCN[C@H]21 ZINC001162442864 843934948 /nfs/dbraw/zinc/93/49/48/843934948.db2.gz DOIXDHLHVWNQDA-CYZMBNFOSA-N 1 1 350.770 -0.312 20 5 FBBDMO [NH3+][C@@H]1NCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)[C@H]2NCN[C@@H]21 ZINC001162442866 843935145 /nfs/dbraw/zinc/93/51/45/843935145.db2.gz DOIXDHLHVWNQDA-RAIGVLPGSA-N 1 1 350.770 -0.312 20 5 FBBDMO [NH3+][C@@H]1NCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)[C@@H]2NCN[C@@H]21 ZINC001162442868 843935114 /nfs/dbraw/zinc/93/51/14/843935114.db2.gz DOIXDHLHVWNQDA-RTXFEEFZSA-N 1 1 350.770 -0.312 20 5 FBBDMO [NH3+][C@@H]1NCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)[C@@H]2NCN[C@H]21 ZINC001162442870 843935184 /nfs/dbraw/zinc/93/51/84/843935184.db2.gz DOIXDHLHVWNQDA-UHTWSYAYSA-N 1 1 350.770 -0.312 20 5 FBBDMO COCC(COC)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC001163493515 843943176 /nfs/dbraw/zinc/94/31/76/843943176.db2.gz BMVJCXBTRJIQIR-UHFFFAOYSA-N 1 1 353.379 -0.128 20 5 FBBDMO COC(=O)c1cnc(N(C)CC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001163825554 843945490 /nfs/dbraw/zinc/94/54/90/843945490.db2.gz FDUZCEPGKIKTKS-UHFFFAOYSA-N 1 1 351.363 -0.013 20 5 FBBDMO CCNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164490178 843948665 /nfs/dbraw/zinc/94/86/65/843948665.db2.gz BDYHSUKHHBLKCQ-GHMZBOCLSA-N 1 1 355.395 -0.627 20 5 FBBDMO COCCCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164490378 843948267 /nfs/dbraw/zinc/94/82/67/843948267.db2.gz HAERFCTUGLZEEQ-CHWSQXEVSA-N 1 1 356.423 -0.320 20 5 FBBDMO O=C(C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCOCC1 ZINC001164490739 843948671 /nfs/dbraw/zinc/94/86/71/843948671.db2.gz UVNIMJVPSPNQCS-CHWSQXEVSA-N 1 1 354.407 -0.614 20 5 FBBDMO CCOCCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164490973 843948590 /nfs/dbraw/zinc/94/85/90/843948590.db2.gz VIUNUCDFDMJJFN-CHWSQXEVSA-N 1 1 356.423 -0.320 20 5 FBBDMO O=C(NCCC1(C[NH2+]CCN2C(=O)CCC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164494250 843948643 /nfs/dbraw/zinc/94/86/43/843948643.db2.gz AZNZYQVVPQCWAX-VXGBXAGGSA-N 1 1 352.391 -0.323 20 5 FBBDMO CCS(=O)(=O)NCC[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494305 843948683 /nfs/dbraw/zinc/94/86/83/843948683.db2.gz DZDIEPWHTHJFIR-VXGBXAGGSA-N 1 1 362.452 -0.533 20 5 FBBDMO O=C(NCCC1(C[NH2+]CCN2C(=O)CNC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001164494391 843948496 /nfs/dbraw/zinc/94/84/96/843948496.db2.gz ICGCLMXNTHZVRE-GHMZBOCLSA-N 1 1 353.379 -0.921 20 5 FBBDMO CC(=O)NCCOCC[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001164494563 843948755 /nfs/dbraw/zinc/94/87/55/843948755.db2.gz MLZDPXZQSMNUSD-ZIAGYGMSSA-N 1 1 356.423 -0.320 20 5 FBBDMO CN(CC[NH2+]CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC001164494859 843948731 /nfs/dbraw/zinc/94/87/31/843948731.db2.gz WDLLGDPSSKPNBT-VXGBXAGGSA-N 1 1 362.452 -0.581 20 5 FBBDMO CCOC(=O)c1nc(Cl)nc(N2CC[NH2+][C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC001166723653 843960980 /nfs/dbraw/zinc/96/09/80/843960980.db2.gz HDLIRUPSPLYNQI-LURJTMIESA-N 1 1 358.742 -0.522 20 5 FBBDMO CCOC(=O)c1nc(Cl)nc(N2CC[NH2+][C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC001166723654 843960995 /nfs/dbraw/zinc/96/09/95/843960995.db2.gz HDLIRUPSPLYNQI-ZCFIWIBFSA-N 1 1 358.742 -0.522 20 5 FBBDMO Cc1ncc(C[NH3+])c(=N)n1-c1nc(S(C)(=O)=O)nc(Cl)c1[N+](=O)[O-] ZINC001167672632 836035407 /nfs/dbraw/zinc/03/54/07/836035407.db2.gz QIASTEWMIKZKOD-UHFFFAOYSA-N 1 1 373.782 -0.126 20 5 FBBDMO C[N@H+]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC001168538384 837278166 /nfs/dbraw/zinc/27/81/66/837278166.db2.gz PFMLXFDWXATLST-LLVKDONJSA-N 1 1 372.403 -0.992 20 5 FBBDMO C[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC001168538384 837278159 /nfs/dbraw/zinc/27/81/59/837278159.db2.gz PFMLXFDWXATLST-LLVKDONJSA-N 1 1 372.403 -0.992 20 5 FBBDMO C[N@H+]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC001168538386 837278693 /nfs/dbraw/zinc/27/86/93/837278693.db2.gz PFMLXFDWXATLST-NSHDSACASA-N 1 1 372.403 -0.992 20 5 FBBDMO C[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC001168538386 837278684 /nfs/dbraw/zinc/27/86/84/837278684.db2.gz PFMLXFDWXATLST-NSHDSACASA-N 1 1 372.403 -0.992 20 5 FBBDMO COC(=O)C(C(=O)OC)c1ncc(-n2cnc(C[NH3+])n2)cc1[N+](=O)[O-] ZINC001168754398 837738706 /nfs/dbraw/zinc/73/87/06/837738706.db2.gz QQECMWYJLUPGQB-UHFFFAOYSA-N 1 1 350.291 -0.541 20 5 FBBDMO CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(NC[C@H]2COCC[NH2+]2)n1 ZINC001170035813 839455106 /nfs/dbraw/zinc/45/51/06/839455106.db2.gz PQCDKJAZDZRPFM-LURJTMIESA-N 1 1 351.772 -0.158 20 5 FBBDMO CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(NC[C@@H]2COCC[NH2+]2)n1 ZINC001170035815 839454962 /nfs/dbraw/zinc/45/49/62/839454962.db2.gz PQCDKJAZDZRPFM-ZCFIWIBFSA-N 1 1 351.772 -0.158 20 5 FBBDMO COC(=O)C(C(=O)OC)c1ncc(N[C@H](N)CCC[NH3+])cc1[N+](=O)[O-] ZINC001170900537 839753239 /nfs/dbraw/zinc/75/32/39/839753239.db2.gz VNXVBTTZISXSMB-JTQLQIEISA-N 1 1 355.351 -0.145 20 5 FBBDMO COC(=O)C(C(=O)OC)c1ncc(N[C@@H](N)CCC[NH3+])cc1[N+](=O)[O-] ZINC001170900538 839753127 /nfs/dbraw/zinc/75/31/27/839753127.db2.gz VNXVBTTZISXSMB-SNVBAGLBSA-N 1 1 355.351 -0.145 20 5 FBBDMO C[N@H+]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC001171139329 839825466 /nfs/dbraw/zinc/82/54/66/839825466.db2.gz LGBVVQWEMKXLLB-LLVKDONJSA-N 1 1 372.403 -0.992 20 5 FBBDMO C[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC001171139329 839825458 /nfs/dbraw/zinc/82/54/58/839825458.db2.gz LGBVVQWEMKXLLB-LLVKDONJSA-N 1 1 372.403 -0.992 20 5 FBBDMO C[N@H+]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC001171139330 839825213 /nfs/dbraw/zinc/82/52/13/839825213.db2.gz LGBVVQWEMKXLLB-NSHDSACASA-N 1 1 372.403 -0.992 20 5 FBBDMO C[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC001171139330 839825205 /nfs/dbraw/zinc/82/52/05/839825205.db2.gz LGBVVQWEMKXLLB-NSHDSACASA-N 1 1 372.403 -0.992 20 5 FBBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1F ZINC001173177369 840268158 /nfs/dbraw/zinc/26/81/58/840268158.db2.gz BDLPUJAXGSSWCX-BGEUTBQWSA-N 1 1 354.386 -0.334 20 5 FBBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1F ZINC001173177383 840268595 /nfs/dbraw/zinc/26/85/95/840268595.db2.gz BDLPUJAXGSSWCX-FOLSVITISA-N 1 1 354.386 -0.334 20 5 FBBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1F ZINC001173177385 840267862 /nfs/dbraw/zinc/26/78/62/840267862.db2.gz BDLPUJAXGSSWCX-IAXYGJIASA-N 1 1 354.386 -0.334 20 5 FBBDMO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1F ZINC001173177387 840268235 /nfs/dbraw/zinc/26/82/35/840268235.db2.gz BDLPUJAXGSSWCX-IFHXJABSSA-N 1 1 354.386 -0.334 20 5 FBBDMO NC[C@@H](O)C[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173690308 840273787 /nfs/dbraw/zinc/27/37/87/840273787.db2.gz NPYBRBFBISHRQB-GFCCVEGCSA-N 1 1 358.420 -0.343 20 5 FBBDMO NC[C@H](O)C[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173690312 840273989 /nfs/dbraw/zinc/27/39/89/840273989.db2.gz NPYBRBFBISHRQB-LBPRGKRZSA-N 1 1 358.420 -0.343 20 5 FBBDMO C[N@@H+](CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)CCOCCO ZINC001175822722 840289469 /nfs/dbraw/zinc/28/94/69/840289469.db2.gz QFUIZJAIELSYOX-UHFFFAOYSA-N 1 1 355.347 -0.006 20 5 FBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@@]3(CO)CCCC[C@@]3(CO)C2)c1 ZINC001176767391 840300999 /nfs/dbraw/zinc/30/09/99/840300999.db2.gz ICODCSFFHXQGEM-HRCADAONSA-N 1 1 354.407 -0.001 20 5 FBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@]3(CO)CCCC[C@@]3(CO)C2)c1 ZINC001176767392 840301430 /nfs/dbraw/zinc/30/14/30/840301430.db2.gz ICODCSFFHXQGEM-OAGGEKHMSA-N 1 1 354.407 -0.001 20 5 FBBDMO CN(CC[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])S(C)(=O)=O ZINC001178458418 840334620 /nfs/dbraw/zinc/33/46/20/840334620.db2.gz GQSOZELGCNWYPE-CHWSQXEVSA-N 1 1 364.468 -0.191 20 5 FBBDMO CCNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178458562 840334741 /nfs/dbraw/zinc/33/47/41/840334741.db2.gz LWCMQLJQFQPWNC-VXGBXAGGSA-N 1 1 357.411 -0.237 20 5 FBBDMO O=C(C[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCOCC1 ZINC001178458584 840334517 /nfs/dbraw/zinc/33/45/17/840334517.db2.gz MYDLZSAKLXSJGZ-ZIAGYGMSSA-N 1 1 356.423 -0.223 20 5 FBBDMO CCS(=O)(=O)NCC[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178463212 840334690 /nfs/dbraw/zinc/33/46/90/840334690.db2.gz AGFYOBLIZPEUAN-CHWSQXEVSA-N 1 1 364.468 -0.143 20 5 FBBDMO CS(=O)(=O)NCC[NH2+]CCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178464702 840334626 /nfs/dbraw/zinc/33/46/26/840334626.db2.gz YJUAJVSEMDIOJA-VXGBXAGGSA-N 1 1 350.441 -0.533 20 5 FBBDMO O=C(NCCCCCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC001178464742 840334142 /nfs/dbraw/zinc/33/41/42/840334142.db2.gz ZZQCWNOUYYDBAU-VXGBXAGGSA-N 1 1 355.395 -0.530 20 5 FBBDMO NC(=O)c1ccc(SCC(=O)N2CC([NH2+]C3COC3)C2)c([N+](=O)[O-])c1 ZINC001179458553 840358753 /nfs/dbraw/zinc/35/87/53/840358753.db2.gz SDKUFGIJGFWYPB-UHFFFAOYSA-N 1 1 366.399 -0.015 20 5 FBBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001181413404 840402396 /nfs/dbraw/zinc/40/23/96/840402396.db2.gz NVCHWXWZFBHOSQ-SWLSCSKDSA-N 1 1 353.379 -0.558 20 5 FBBDMO COCC[NH+](CCOC)C1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001186906246 840541539 /nfs/dbraw/zinc/54/15/39/840541539.db2.gz POXKHXZMXLCHCB-UHFFFAOYSA-N 1 1 353.379 -0.128 20 5 FBBDMO CN(C)S(=O)(=O)CCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195768529 841277443 /nfs/dbraw/zinc/27/74/43/841277443.db2.gz CVBWRTAILYTNBV-CHWSQXEVSA-N 1 1 362.452 -0.533 20 5 FBBDMO O=C(CC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001198062589 841528211 /nfs/dbraw/zinc/52/82/11/841528211.db2.gz UYDWMJUOCVBCSD-CYBMUJFWSA-N 1 1 369.403 -0.242 20 5 FBBDMO O=C(CC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001198062589 841528205 /nfs/dbraw/zinc/52/82/05/841528205.db2.gz UYDWMJUOCVBCSD-CYBMUJFWSA-N 1 1 369.403 -0.242 20 5 FBBDMO O=C(CC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001198062594 841528877 /nfs/dbraw/zinc/52/88/77/841528877.db2.gz UYDWMJUOCVBCSD-ZDUSSCGKSA-N 1 1 369.403 -0.242 20 5 FBBDMO O=C(CC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001198062594 841528864 /nfs/dbraw/zinc/52/88/64/841528864.db2.gz UYDWMJUOCVBCSD-ZDUSSCGKSA-N 1 1 369.403 -0.242 20 5 FBBDMO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NCC(F)(F)F ZINC001200461342 852200717 /nfs/dbraw/zinc/20/07/17/852200717.db2.gz BGFKJOUBLWPBHQ-NXEZZACHSA-N 1 1 352.313 -0.089 20 5 FBBDMO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NC1CCOCC1 ZINC001200461476 852200443 /nfs/dbraw/zinc/20/04/43/852200443.db2.gz DLFMEMGHBZEYLL-ZIAGYGMSSA-N 1 1 354.407 -0.473 20 5 FBBDMO CCCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200461827 852200592 /nfs/dbraw/zinc/20/05/92/852200592.db2.gz MPTHSFBGOMWIMK-VXGBXAGGSA-N 1 1 355.395 -0.532 20 5 FBBDMO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NC(=O)NC1CC1 ZINC001200461974 852200905 /nfs/dbraw/zinc/20/09/05/852200905.db2.gz OOBWUZOUVNHLIO-VXGBXAGGSA-N 1 1 353.379 -0.780 20 5 FBBDMO CCS(=O)(=O)NCCC[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200471045 852203001 /nfs/dbraw/zinc/20/30/01/852203001.db2.gz CKIIJNDYJYAZMS-CHWSQXEVSA-N 1 1 362.452 -0.438 20 5 FBBDMO CN(C)S(=O)(=O)CCC[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001200471406 852202632 /nfs/dbraw/zinc/20/26/32/852202632.db2.gz HDTNPQDCXFLBBW-CHWSQXEVSA-N 1 1 362.452 -0.486 20 5 FBBDMO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Nc1nncs1 ZINC001200473002 852204297 /nfs/dbraw/zinc/20/42/97/852204297.db2.gz XQBLQIRURAPXHJ-NXEZZACHSA-N 1 1 354.392 -0.278 20 5 FBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CCCN2C(=O)CNC2=O)CC1 ZINC001200473005 852204510 /nfs/dbraw/zinc/20/45/10/852204510.db2.gz XRKZEDKOCQSVSQ-VXGBXAGGSA-N 1 1 353.379 -0.826 20 5 FBBDMO CN(CC[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC001205223468 843969193 /nfs/dbraw/zinc/96/91/93/843969193.db2.gz BNDPYZBKCBRIQI-CHWSQXEVSA-N 1 1 362.452 -0.629 20 5 FBBDMO CCNC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205223517 843969562 /nfs/dbraw/zinc/96/95/62/843969562.db2.gz DIMKGRDIXCZEGG-VXGBXAGGSA-N 1 1 355.395 -0.675 20 5 FBBDMO CCOCCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205223807 843969470 /nfs/dbraw/zinc/96/94/70/843969470.db2.gz ISDNBVIELQBMSY-ZIAGYGMSSA-N 1 1 356.423 -0.368 20 5 FBBDMO COCCCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205224411 843969436 /nfs/dbraw/zinc/96/94/36/843969436.db2.gz SNLQHLYYYSVTAX-ZIAGYGMSSA-N 1 1 356.423 -0.368 20 5 FBBDMO O=C(C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Nc1nncs1 ZINC001205224713 843969375 /nfs/dbraw/zinc/96/93/75/843969375.db2.gz XIMKBYDIKSWAID-GHMZBOCLSA-N 1 1 368.419 -0.030 20 5 FBBDMO O=C(C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCOCC1 ZINC001205224782 843969487 /nfs/dbraw/zinc/96/94/87/843969487.db2.gz ZYSVBMAEHHMQGW-ZIAGYGMSSA-N 1 1 354.407 -0.661 20 5 FBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001205229600 843969495 /nfs/dbraw/zinc/96/94/95/843969495.db2.gz FVGRUCKOPHYXSW-VXGBXAGGSA-N 1 1 353.379 -0.968 20 5 FBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]CCN2C(=O)CCC2=O)CC1 ZINC001205229952 843969570 /nfs/dbraw/zinc/96/95/70/843969570.db2.gz KEUBYLRXUSQTQG-CHWSQXEVSA-N 1 1 352.391 -0.371 20 5 FBBDMO CCS(=O)(=O)NCC[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205230701 843969216 /nfs/dbraw/zinc/96/92/16/843969216.db2.gz TYPXNXZJKLHWHV-CHWSQXEVSA-N 1 1 362.452 -0.581 20 5 FBBDMO CC(=O)NCCOCC[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001205230896 843969458 /nfs/dbraw/zinc/96/94/58/843969458.db2.gz XGKJCNBDPXKITI-HUUCEWRRSA-N 1 1 356.423 -0.368 20 5 FBBDMO C[N@@H+](CCO)CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001213684441 844360345 /nfs/dbraw/zinc/36/03/45/844360345.db2.gz ANFIOUPFEYBUQS-UHFFFAOYSA-N 1 1 361.376 -0.432 20 5 FBBDMO C[N@H+](CCO)CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001213684441 844360332 /nfs/dbraw/zinc/36/03/32/844360332.db2.gz ANFIOUPFEYBUQS-UHFFFAOYSA-N 1 1 361.376 -0.432 20 5 FBBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001213720682 844369589 /nfs/dbraw/zinc/36/95/89/844369589.db2.gz MUFQVUJAVGIBOF-UHFFFAOYSA-N 1 1 356.404 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COCC[N@@H+](CC(=O)N(C)C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001277398143 845907435 /nfs/dbraw/zinc/90/74/35/845907435.db2.gz CWFYLLZBGRJDRU-ZIAGYGMSSA-N 1 1 356.423 -0.321 20 5 FBBDMO COCC[N@H+](CC(=O)N(C)C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001277398143 845907432 /nfs/dbraw/zinc/90/74/32/845907432.db2.gz CWFYLLZBGRJDRU-ZIAGYGMSSA-N 1 1 356.423 -0.321 20 5 FBBDMO COCC[N@@H+](CC(=O)N(C)C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001277398143 845907428 /nfs/dbraw/zinc/90/74/28/845907428.db2.gz CWFYLLZBGRJDRU-ZIAGYGMSSA-N 1 1 356.423 -0.321 20 5 FBBDMO CC(=O)NCCOCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001278051701 846036816 /nfs/dbraw/zinc/03/68/16/846036816.db2.gz MNRJGPFFSSPCSB-ZIAGYGMSSA-N 1 1 356.423 -0.225 20 5 FBBDMO Cn1nccc1CC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001278707358 846213706 /nfs/dbraw/zinc/21/37/06/846213706.db2.gz IOSABEOMOPFSAI-ZIAGYGMSSA-N 1 1 351.407 -0.117 20 5 FBBDMO 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COCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C12CC[NH+](CC1)C2 ZINC001281325457 847052929 /nfs/dbraw/zinc/05/29/29/847052929.db2.gz PDKSTEKCJVQIFK-CHWSQXEVSA-N 1 1 354.407 -0.661 20 5 FBBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(O)(C[NH2+]CCN2CCCC2=O)CC1 ZINC001281613211 847062059 /nfs/dbraw/zinc/06/20/59/847062059.db2.gz KMFVJJYEMHBQGK-CHWSQXEVSA-N 1 1 354.407 -0.783 20 5 FBBDMO Cc1nn(C)cc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001281613308 847061730 /nfs/dbraw/zinc/06/17/30/847061730.db2.gz MICYNPDJTPOGGH-ZIAGYGMSSA-N 1 1 351.407 -0.163 20 5 FBBDMO COCCCNC(=O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001283308036 847455513 /nfs/dbraw/zinc/45/55/13/847455513.db2.gz XHSOHEDDFHTAQF-ZIAGYGMSSA-N 1 1 356.423 -0.273 20 5 FBBDMO COCCCNC(=O)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001283308036 847455503 /nfs/dbraw/zinc/45/55/03/847455503.db2.gz XHSOHEDDFHTAQF-ZIAGYGMSSA-N 1 1 356.423 -0.273 20 5 FBBDMO COCCCNC(=O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001283308036 847455496 /nfs/dbraw/zinc/45/54/96/847455496.db2.gz XHSOHEDDFHTAQF-ZIAGYGMSSA-N 1 1 356.423 -0.273 20 5 FBBDMO C[NH+](C)CCCC(=O)N1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001283828454 847466734 /nfs/dbraw/zinc/46/67/34/847466734.db2.gz KZBYBBBUSVUYBP-ZIAGYGMSSA-N 1 1 355.439 -0.746 20 5 FBBDMO O=C(C[NH+]1CCCC1)N1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001283828683 847466533 /nfs/dbraw/zinc/46/65/33/847466533.db2.gz UDAQKPCXIMIMCB-ZIAGYGMSSA-N 1 1 353.423 -0.992 20 5 FBBDMO C[NH+](C)CCOCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001283989713 847471021 /nfs/dbraw/zinc/47/10/21/847471021.db2.gz WGHADWCXDPQFAE-XJFOESAGSA-N 1 1 354.407 -0.568 20 5 FBBDMO C[NH+]1CCC(OCC(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001285923119 847527087 /nfs/dbraw/zinc/52/70/87/847527087.db2.gz ARJSYEIDTUQHKY-CHWSQXEVSA-N 1 1 354.407 -0.473 20 5 FBBDMO CC[N@@H+](C)C(C)(C)C(=O)N1CC(CCO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001285936165 847528768 /nfs/dbraw/zinc/52/87/68/847528768.db2.gz CSQMUTVFCDFLSY-VXGBXAGGSA-N 1 1 356.423 -0.539 20 5 FBBDMO CC[N@H+](C)C(C)(C)C(=O)N1CC(CCO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001285936165 847528759 /nfs/dbraw/zinc/52/87/59/847528759.db2.gz CSQMUTVFCDFLSY-VXGBXAGGSA-N 1 1 356.423 -0.539 20 5 FBBDMO CC[N@@H+](C)C(C)(C)C(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001285936165 847528750 /nfs/dbraw/zinc/52/87/50/847528750.db2.gz CSQMUTVFCDFLSY-VXGBXAGGSA-N 1 1 356.423 -0.539 20 5 FBBDMO CN(C(=O)COCC[NH+](C)C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001287357759 847542825 /nfs/dbraw/zinc/54/28/25/847542825.db2.gz TZBGHAQNFFAMAY-ZIAGYGMSSA-N 1 1 356.423 -0.321 20 5 FBBDMO CN(CCOCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C12CC[NH+](CC1)C2 ZINC001287405537 847542932 /nfs/dbraw/zinc/54/29/32/847542932.db2.gz HRLSJGNKHIQNAG-CHWSQXEVSA-N 1 1 354.407 -0.661 20 5 FBBDMO COCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1CC[NH+](C)CC1 ZINC001288245409 847571564 /nfs/dbraw/zinc/57/15/64/847571564.db2.gz MSONMVYFVRGYRL-ZIAGYGMSSA-N 1 1 356.423 -0.415 20 5 FBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001292494585 847977447 /nfs/dbraw/zinc/97/74/47/847977447.db2.gz QQMBMNBLZJGPER-GFCCVEGCSA-N 1 1 352.395 -0.197 20 5 FBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001292494586 847977408 /nfs/dbraw/zinc/97/74/08/847977408.db2.gz QQMBMNBLZJGPER-LBPRGKRZSA-N 1 1 352.395 -0.197 20 5 FBBDMO O=C(C[NH+]1CCCC1)NCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001294681231 848006969 /nfs/dbraw/zinc/00/69/69/848006969.db2.gz ZPEGPSKGCOLVFV-ZIAGYGMSSA-N 1 1 353.423 -0.992 20 5 FBBDMO CC(C)[N@@H+](C)CC(=O)NCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001294684353 848006350 /nfs/dbraw/zinc/00/63/50/848006350.db2.gz UKKIXTHSEXEFCR-ZIAGYGMSSA-N 1 1 355.439 -0.748 20 5 FBBDMO CC(C)[N@H+](C)CC(=O)NCCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001294684353 848006346 /nfs/dbraw/zinc/00/63/46/848006346.db2.gz UKKIXTHSEXEFCR-ZIAGYGMSSA-N 1 1 355.439 -0.748 20 5 FBBDMO CC(C)[N@@H+](C)CC(=O)NCCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001294684353 848006341 /nfs/dbraw/zinc/00/63/41/848006341.db2.gz UKKIXTHSEXEFCR-ZIAGYGMSSA-N 1 1 355.439 -0.748 20 5 FBBDMO CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)COC1CC[NH+](C)CC1 ZINC001296300430 848036143 /nfs/dbraw/zinc/03/61/43/848036143.db2.gz FHMNPBNVKIIFPD-ZIAGYGMSSA-N 1 1 356.423 -0.273 20 5 FBBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001301745808 848101498 /nfs/dbraw/zinc/10/14/98/848101498.db2.gz CCTCPODPHKNFAF-UHFFFAOYSA-N 1 1 352.395 -0.241 20 5 FBBDMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001302504914 848110596 /nfs/dbraw/zinc/11/05/96/848110596.db2.gz UFEQSAHBQZCPOP-HNNXBMFYSA-N 1 1 353.331 -0.553 20 5 FBBDMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001302504916 848110871 /nfs/dbraw/zinc/11/08/71/848110871.db2.gz UFEQSAHBQZCPOP-OAHLLOKOSA-N 1 1 353.331 -0.553 20 5 FBBDMO CN(C)c1cc(F)c(C(=O)NC[C@]2(CO)COCC[NH2+]2)cc1[N+](=O)[O-] ZINC001302505588 848110460 /nfs/dbraw/zinc/11/04/60/848110460.db2.gz JCZREXJJHIOHRA-HNNXBMFYSA-N 1 1 356.354 -0.119 20 5 FBBDMO CN(C)c1cc(F)c(C(=O)NC[C@@]2(CO)COCC[NH2+]2)cc1[N+](=O)[O-] ZINC001302505590 848110537 /nfs/dbraw/zinc/11/05/37/848110537.db2.gz JCZREXJJHIOHRA-OAHLLOKOSA-N 1 1 356.354 -0.119 20 5 FBBDMO COc1ccc(C(=O)NCC(=O)NCC[N@@H+](C)CCO)cc1[N+](=O)[O-] ZINC001303625926 848134388 /nfs/dbraw/zinc/13/43/88/848134388.db2.gz NBIGDAKBDGHOIQ-UHFFFAOYSA-N 1 1 354.363 -0.627 20 5 FBBDMO COC(=O)c1ccnc(N(C)CC(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001307177724 848170683 /nfs/dbraw/zinc/17/06/83/848170683.db2.gz KNOBMAYACWUGQG-UHFFFAOYSA-N 1 1 351.363 -0.013 20 5 FBBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC001307177900 848008921 /nfs/dbraw/zinc/00/89/21/848008921.db2.gz MMHNNUMDZZEUGN-UHFFFAOYSA-N 1 1 371.419 -0.548 20 5 FBBDMO O=C(CC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC001308096562 848181274 /nfs/dbraw/zinc/18/12/74/848181274.db2.gz FGJDVIYNORBLKJ-LLVKDONJSA-N 1 1 369.403 -0.242 20 5 FBBDMO O=C(CC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC001308096562 848181269 /nfs/dbraw/zinc/18/12/69/848181269.db2.gz FGJDVIYNORBLKJ-LLVKDONJSA-N 1 1 369.403 -0.242 20 5 FBBDMO O=C(CC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC001308096563 848181142 /nfs/dbraw/zinc/18/11/42/848181142.db2.gz FGJDVIYNORBLKJ-NSHDSACASA-N 1 1 369.403 -0.242 20 5 FBBDMO O=C(CC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC001308096563 848181136 /nfs/dbraw/zinc/18/11/36/848181136.db2.gz FGJDVIYNORBLKJ-NSHDSACASA-N 1 1 369.403 -0.242 20 5 FBBDMO CCn1cc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])n1 ZINC001309828054 848226925 /nfs/dbraw/zinc/22/69/25/848226925.db2.gz FLLNVBYRHKAZRB-UHFFFAOYSA-N 1 1 374.423 -0.794 20 5 FBBDMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001309829319 848226775 /nfs/dbraw/zinc/22/67/75/848226775.db2.gz XJNJNCNHHNYVNK-UHFFFAOYSA-N 1 1 357.392 -0.616 20 5 FBBDMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001309829410 848226671 /nfs/dbraw/zinc/22/66/71/848226671.db2.gz YYPMBXYUFBRZFJ-UHFFFAOYSA-N 1 1 357.392 -0.616 20 5 FBBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+](C)CCO ZINC001309844944 848228354 /nfs/dbraw/zinc/22/83/54/848228354.db2.gz BCVQPEJDMJXNPW-UHFFFAOYSA-N 1 1 361.376 -0.416 20 5 FBBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+](C)CCO ZINC001309844944 848228349 /nfs/dbraw/zinc/22/83/49/848228349.db2.gz BCVQPEJDMJXNPW-UHFFFAOYSA-N 1 1 361.376 -0.416 20 5 FBBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001309856225 848230050 /nfs/dbraw/zinc/23/00/50/848230050.db2.gz BXWFAXHPCXLWTH-UHFFFAOYSA-N 1 1 372.403 -0.344 20 5 FBBDMO C[NH+]1CCN(C(=O)CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001309857894 848229888 /nfs/dbraw/zinc/22/98/88/848229888.db2.gz VKIIMHAQXXZMOE-UHFFFAOYSA-N 1 1 356.404 -0.212 20 5 FBBDMO Cn1cc(CN2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 ZINC001316958077 848328476 /nfs/dbraw/zinc/32/84/76/848328476.db2.gz LXSWDLDTQMWCSO-ZIAGYGMSSA-N 1 1 351.411 -0.896 20 5 FBBDMO Cc1nnc(NC(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)s1 ZINC001317076116 848330519 /nfs/dbraw/zinc/33/05/19/848330519.db2.gz LXNNMKJPHSQFLM-ZYUZMQFOSA-N 1 1 354.392 -0.313 20 5 FBBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001317922667 848347964 /nfs/dbraw/zinc/34/79/64/848347964.db2.gz LUYLHFVPKKHTME-UHFFFAOYSA-N 1 1 353.383 -0.707 20 5 FBBDMO Cc1nn(C)c(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC001318304900 848368816 /nfs/dbraw/zinc/36/88/16/848368816.db2.gz RVSIZLLLUAZEAH-LLVKDONJSA-N 1 1 352.395 -0.046 20 5 FBBDMO Cc1nn(C)c(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC001318304901 848368566 /nfs/dbraw/zinc/36/85/66/848368566.db2.gz RVSIZLLLUAZEAH-NSHDSACASA-N 1 1 352.395 -0.046 20 5 FBBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001318333331 848370348 /nfs/dbraw/zinc/37/03/48/848370348.db2.gz PZEAOQRXMGNWKD-CYBMUJFWSA-N 1 1 350.379 -0.268 20 5 FBBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001318333332 848370066 /nfs/dbraw/zinc/37/00/66/848370066.db2.gz PZEAOQRXMGNWKD-ZDUSSCGKSA-N 1 1 350.379 -0.268 20 5 FBBDMO CN1CC[NH+](C(C)(C)CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001318540369 848383903 /nfs/dbraw/zinc/38/39/03/848383903.db2.gz BDNTVMYGCKOKES-UHFFFAOYSA-N 1 1 351.407 -0.101 20 5 FBBDMO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC001318630052 848390704 /nfs/dbraw/zinc/39/07/04/848390704.db2.gz JLEQYHGQBQYGKE-GFCCVEGCSA-N 1 1 352.395 -0.237 20 5 FBBDMO Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC001318630061 848390752 /nfs/dbraw/zinc/39/07/52/848390752.db2.gz JLEQYHGQBQYGKE-LBPRGKRZSA-N 1 1 352.395 -0.237 20 5 FBBDMO O=C(C[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1)N1CCOCC1 ZINC001318631447 848390656 /nfs/dbraw/zinc/39/06/56/848390656.db2.gz CMTKDNODEOAJEY-CHWSQXEVSA-N 1 1 354.407 -0.471 20 5 FBBDMO CS(=O)(=O)NCC[NH+]1CCC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001319019621 848419616 /nfs/dbraw/zinc/41/96/16/848419616.db2.gz YLDDNBSIGISPNQ-CHWSQXEVSA-N 1 1 362.452 -0.581 20 5 FBBDMO Cc1nn(C)c(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC001319092600 848427795 /nfs/dbraw/zinc/42/77/95/848427795.db2.gz WYQFQZWPFNCDAQ-LLVKDONJSA-N 1 1 373.435 -0.172 20 5 FBBDMO Cc1nn(C)c(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] ZINC001319092613 848427734 /nfs/dbraw/zinc/42/77/34/848427734.db2.gz WYQFQZWPFNCDAQ-NSHDSACASA-N 1 1 373.435 -0.172 20 5 FBBDMO O=C(C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1)N1CCOCC1 ZINC001319351528 848449357 /nfs/dbraw/zinc/44/93/57/848449357.db2.gz KFXABKIHBUOLNY-CHWSQXEVSA-N 1 1 354.407 -0.471 20 5 FBBDMO 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/nfs/dbraw/zinc/59/18/82/848591882.db2.gz KGORJXYGFOODEG-JTQLQIEISA-N 1 1 371.419 -0.237 20 5 FBBDMO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CCS(=O)(=O)C1 ZINC001321059657 848591476 /nfs/dbraw/zinc/59/14/76/848591476.db2.gz KGORJXYGFOODEG-SNVBAGLBSA-N 1 1 371.419 -0.237 20 5 FBBDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)CC1 ZINC001321106359 848597390 /nfs/dbraw/zinc/59/73/90/848597390.db2.gz XHZWZWBMJWRLGW-UHFFFAOYSA-N 1 1 350.379 -0.056 20 5 FBBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001321279509 848614365 /nfs/dbraw/zinc/61/43/65/848614365.db2.gz ROVHMFKTAWMCMB-AEGPPILISA-N 1 1 358.395 -0.502 20 5 FBBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001321279510 848614309 /nfs/dbraw/zinc/61/43/09/848614309.db2.gz ROVHMFKTAWMCMB-BPLDGKMQSA-N 1 1 358.395 -0.502 20 5 FBBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001321279511 848614191 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VDRAXKSTNDTTFD-QWHCGFSZSA-N 1 1 350.379 -0.350 20 5 FBBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001322254737 848736794 /nfs/dbraw/zinc/73/67/94/848736794.db2.gz VDRAXKSTNDTTFD-STQMWFEESA-N 1 1 350.379 -0.350 20 5 FBBDMO C[N@@H+](CCNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC001322789509 848800873 /nfs/dbraw/zinc/80/08/73/848800873.db2.gz LJOPVIYFBTVFHA-UHFFFAOYSA-N 1 1 352.395 -0.102 20 5 FBBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001322845371 848811679 /nfs/dbraw/zinc/81/16/79/848811679.db2.gz JUUJTVYCQYOOKO-GXTWGEPZSA-N 1 1 350.375 -0.186 20 5 FBBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001322845373 848811721 /nfs/dbraw/zinc/81/17/21/848811721.db2.gz JUUJTVYCQYOOKO-JSGCOSHPSA-N 1 1 350.375 -0.186 20 5 FBBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001322845375 848811844 /nfs/dbraw/zinc/81/18/44/848811844.db2.gz JUUJTVYCQYOOKO-OCCSQVGLSA-N 1 1 350.375 -0.186 20 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O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC001323669134 848934413 /nfs/dbraw/zinc/93/44/13/848934413.db2.gz QSTBFOHFKUCOTQ-UHFFFAOYSA-N 1 1 350.379 -0.396 20 5 FBBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001323903620 848973393 /nfs/dbraw/zinc/97/33/93/848973393.db2.gz AYZOYCSRTJEZBL-GFCCVEGCSA-N 1 1 352.395 -0.292 20 5 FBBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001323903622 848973372 /nfs/dbraw/zinc/97/33/72/848973372.db2.gz AYZOYCSRTJEZBL-LBPRGKRZSA-N 1 1 352.395 -0.292 20 5 FBBDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC001324315359 849023426 /nfs/dbraw/zinc/02/34/26/849023426.db2.gz DXTTZDAOPKWIQP-NEPJUHHUSA-N 1 1 352.395 -0.151 20 5 FBBDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC001324315359 849023419 /nfs/dbraw/zinc/02/34/19/849023419.db2.gz DXTTZDAOPKWIQP-NEPJUHHUSA-N 1 1 352.395 -0.151 20 5 FBBDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC001324315360 849023467 /nfs/dbraw/zinc/02/34/67/849023467.db2.gz DXTTZDAOPKWIQP-NWDGAFQWSA-N 1 1 352.395 -0.151 20 5 FBBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC001324315360 849023462 /nfs/dbraw/zinc/02/34/62/849023462.db2.gz DXTTZDAOPKWIQP-NWDGAFQWSA-N 1 1 352.395 -0.151 20 5 FBBDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC001324315361 849023317 /nfs/dbraw/zinc/02/33/17/849023317.db2.gz DXTTZDAOPKWIQP-RYUDHWBXSA-N 1 1 352.395 -0.151 20 5 FBBDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC001324315361 849023309 /nfs/dbraw/zinc/02/33/09/849023309.db2.gz DXTTZDAOPKWIQP-RYUDHWBXSA-N 1 1 352.395 -0.151 20 5 FBBDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC001324315362 849023602 /nfs/dbraw/zinc/02/36/02/849023602.db2.gz DXTTZDAOPKWIQP-VXGBXAGGSA-N 1 1 352.395 -0.151 20 5 FBBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC001324315362 849023595 /nfs/dbraw/zinc/02/35/95/849023595.db2.gz DXTTZDAOPKWIQP-VXGBXAGGSA-N 1 1 352.395 -0.151 20 5 FBBDMO C[C@@H](NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C1=CC[N@@H+](C)CC1 ZINC001324315409 849023773 /nfs/dbraw/zinc/02/37/73/849023773.db2.gz FSRINRXJWGLYBP-LLVKDONJSA-N 1 1 350.379 -0.326 20 5 FBBDMO C[C@H](NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C1=CC[N@@H+](C)CC1 ZINC001324315410 849023620 /nfs/dbraw/zinc/02/36/20/849023620.db2.gz FSRINRXJWGLYBP-NSHDSACASA-N 1 1 350.379 -0.326 20 5 FBBDMO COCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC001324501509 849048447 /nfs/dbraw/zinc/04/84/47/849048447.db2.gz JDUAEAIVNSMXNL-AAEUAGOBSA-N 1 1 362.408 -0.712 20 5 FBBDMO COCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC001324501509 849048439 /nfs/dbraw/zinc/04/84/39/849048439.db2.gz JDUAEAIVNSMXNL-AAEUAGOBSA-N 1 1 362.408 -0.712 20 5 FBBDMO 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Cc1nn(C)c(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC001338782522 850906974 /nfs/dbraw/zinc/90/69/74/850906974.db2.gz QPHNPZKMPDQPPT-UHFFFAOYSA-N 1 1 352.395 -0.081 20 5 FBBDMO COCC(COC)[NH+]1CCN(c2nnc(CCC[N+](=O)[O-])n2C)CC1 ZINC001338797176 850906879 /nfs/dbraw/zinc/90/68/79/850906879.db2.gz KRJGCHGHVADIJF-UHFFFAOYSA-N 1 1 356.427 -0.192 20 5 FBBDMO COCCN(CCNC(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001338999878 850915337 /nfs/dbraw/zinc/91/53/37/850915337.db2.gz MHRCYHLOKHUGGQ-CHWSQXEVSA-N 1 1 354.407 -0.661 20 5 FBBDMO COCC[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2C[C@H]2CCOC2)CC1 ZINC001344398851 851491911 /nfs/dbraw/zinc/49/19/11/851491911.db2.gz NVPUQYFUXXXONV-CYBMUJFWSA-N 1 1 354.411 -0.140 20 5 FBBDMO COCC[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2C[C@@H]2CCOC2)CC1 ZINC001344398853 851491575 /nfs/dbraw/zinc/49/15/75/851491575.db2.gz NVPUQYFUXXXONV-ZDUSSCGKSA-N 1 1 354.411 -0.140 20 5 FBBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001345105534 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